#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 -4.57 117.46 115.88 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 -1.82 -0.44 -4.38 0.00 -0.00 -1.06 -1.78 117.00 107.51 1uub n LEU 4 Ca -0.00 0.10 -0.35 0.00 -0.00 0.00 0.00 56.01 55.76 1uub n LEU 4 Cb 0.32 0.82 0.08 0.00 -0.00 0.00 0.00 43.42 44.64 1uub n LEU 4 CO 0.00 -0.42 -0.18 -0.62 -0.00 0.00 0.00 177.39 176.17 1uub n GLU 5 N -2.61 0.05 -1.51 1.47 1.02 -1.26 -4.49 120.64 113.32 1uub n GLU 5 Ca 0.00 0.06 -0.38 0.00 -0.02 0.00 0.00 57.16 56.82 1uub n GLU 5 Cb 0.00 -1.70 -0.14 0.00 -0.02 0.00 0.00 31.44 29.58 1uub n GLU 5 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1uub n PRO 6 N -0.58 0.17 -1.51 3.49 -0.04 -1.26 -0.03 135.00 135.24 1uub n PRO 6 Ca 0.07 -0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.09 1uub n PRO 6 Cb 0.52 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 8.29 0.83 -2.06 0.54 -0.02 -1.26 -4.48 135.00 136.83 1uub n PRO 7 Ca 0.61 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 1uub n PRO 7 Cb 0.13 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1uub n PRO 7 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1uub s TYR 8 N -1.29 2.35 -0.44 6.00 1.13 -1.26 -4.96 117.35 118.88 1uub s TYR 8 Ca 0.62 0.42 0.07 0.00 -1.41 0.00 0.00 57.07 56.77 1uub s TYR 8 Cb -0.65 -3.85 0.18 0.00 -1.10 0.00 0.00 41.96 36.54 1uub s TYR 8 CO 0.58 -3.41 0.68 0.95 -2.51 0.00 0.00 175.55 171.84 1uub s THR 9 N 3.24 -0.97 0.01 -3.49 -4.23 -1.26 -4.75 115.64 104.19 1uub s THR 9 Ca 0.70 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 1uub s THR 9 Cb -0.34 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.50 1uub s THR 9 CO 0.29 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1uub n GLY 10 N 3.92 -1.65 0.78 3.99 0.00 -1.26 -4.99 105.19 105.97 1uub n GLY 10 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 -2.57 0.52 -4.26 1.61 -0.02 -1.26 -4.78 135.00 124.25 1uub n PRO 11 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1uub n PRO 11 Cb 0.00 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 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 -0.95 0.05 0.00 0.00 1.85 -1.26 -4.75 116.66 111.60 1uub n ARG 13 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.74 1uub n ARG 13 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 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 -3.31 2.89 0.00 -1.26 -4.84 120.51 110.98 1uub n ALA 14 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1uub n ALA 14 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.44 -1.24 -0.12 0.00 0.00 -1.26 -4.73 121.76 111.97 1uub s ALA 15 Ca 0.00 0.73 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1uub s ALA 15 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1uub s ALA 15 CO 0.00 -1.46 -0.06 0.42 0.00 0.00 0.00 175.76 174.66 1uub s ILE 16 N 2.57 3.76 0.19 0.00 1.01 0.06 -5.01 121.20 123.79 1uub s ILE 16 Ca 0.12 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.43 1uub s ILE 16 Cb -0.14 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1uub s ILE 16 CO -0.22 0.54 -0.15 -0.51 0.00 0.00 0.00 174.94 174.59 1uub s ILE 17 N -0.06 1.75 0.00 2.92 1.10 -1.26 -0.31 121.20 125.34 1uub s ILE 17 Ca 0.01 -2.13 0.00 0.00 -0.51 0.00 0.00 60.65 58.02 1uub s ILE 17 Cb -0.13 -1.98 0.00 0.00 0.15 0.00 0.00 42.46 40.50 1uub s ILE 17 CO 0.03 -0.53 0.00 -1.14 -2.11 0.00 0.00 174.94 171.19 1uub n ARG 18 N -0.20 0.00 -3.98 3.50 3.00 -1.26 -4.71 116.66 113.00 1uub n ARG 18 Ca -0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.47 1uub n ARG 18 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.01 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 -0.84 3.37 0.41 -0.14 2.02 -0.00 -1.46 117.35 120.71 1uub s TYR 19 Ca 0.00 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.85 1uub s TYR 19 Cb 0.00 -1.67 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1uub s TYR 19 CO 0.00 0.55 0.05 1.97 -1.57 0.00 0.00 175.55 176.55 1uub n PHE 20 N 0.08 0.67 -3.67 2.71 1.16 -0.56 -0.72 117.46 117.14 1uub n PHE 20 Ca -0.07 -2.21 -0.39 0.00 -1.87 0.00 0.00 57.45 52.91 1uub n PHE 20 Cb 0.52 -0.18 -0.11 0.00 -1.61 0.00 0.00 39.48 38.10 1uub n PHE 20 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 1uub s TYR 21 N -2.70 3.28 -0.91 2.97 5.04 -1.26 0.83 117.35 124.60 1uub s TYR 21 Ca 0.07 -1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 53.34 1uub s TYR 21 Cb 0.00 -2.53 0.28 0.00 0.35 0.00 0.00 41.96 40.06 1uub s TYR 21 CO 0.05 -0.75 1.13 -1.71 -1.34 0.00 0.00 175.55 172.93 1uub n ASN 22 N 4.89 5.21 -1.30 4.32 5.15 0.12 -2.57 115.26 131.08 1uub n ASN 22 Ca -0.11 -3.37 0.00 0.00 -0.60 0.00 0.00 54.58 50.50 1uub n ASN 22 Cb 0.44 -1.05 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 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 1.36 1.39 0.00 5.20 0.00 -0.74 -0.09 120.51 127.64 1uub n ALA 23 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1uub n ALA 23 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 1.21 0.00 -0.00 0.00 4.76 -1.26 -4.84 118.16 118.03 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 -0.44 -0.00 0.00 -1.84 0.00 0.00 35.03 32.75 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uub h ALA 25 N 0.00 0.00 0.00 7.82 0.00 -1.88 -3.45 119.26 121.75 1uub h ALA 25 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uub h ALA 25 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uub h ALA 25 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1uub n GLY 26 N 1.75 -0.23 3.67 0.00 0.00 -1.23 -5.01 105.19 104.14 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 -0.01 0.00 -3.96 0.99 4.32 0.87 -4.93 117.00 114.27 1uub n LEU 27 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 1uub n LEU 27 Cb 0.14 -0.12 -0.17 0.00 -1.62 0.00 0.00 43.42 41.65 1uub n LEU 27 CO 0.00 0.00 -0.46 0.00 -1.22 0.00 0.00 177.39 175.71 1uub n GLN 29 N 4.58 1.91 -3.85 0.00 0.00 0.24 -4.67 117.38 115.60 1uub n GLN 29 Ca -0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.72 1uub n GLN 29 Cb 0.51 0.00 -0.10 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 3.06 0.06 0.00 1.69 -4.23 -1.25 -1.49 115.64 113.48 1uub s THR 30 Ca 0.00 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1uub s THR 30 Cb 0.00 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.42 1uub s THR 30 CO 0.00 -0.29 0.00 2.22 -0.54 0.00 0.00 174.62 176.01 1uub n PHE 31 N 1.76 0.00 0.00 3.99 -1.74 -0.53 -4.59 117.46 116.34 1uub n PHE 31 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 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 -1.86 1.97 0.31 -1.23 -4.71 118.33 112.81 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 0.00 3.52 4.11 0.58 -4.89 117.16 120.48 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 -0.29 0.66 2.27 -7.48 0.00 -1.26 -0.76 105.19 98.33 1uub n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 4.72 3.40 0.00 -0.02 0.00 -1.26 -4.68 105.19 107.34 1uub n GLY 35 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 1.50 -1.23 0.00 1.85 -1.26 -4.83 116.66 112.69 1uub n ARG 37 Ca 0.00 -0.49 -0.10 0.00 -1.00 0.00 0.00 57.85 56.26 1uub n ARG 37 Cb 0.00 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.87 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 0.14 -0.15 -2.97 2.89 0.00 -1.26 -2.93 120.51 116.23 1uub n ALA 38 Ca 0.06 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 1uub n ALA 38 Cb 0.48 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.48 -1.76 0.00 0.00 3.00 -1.26 -3.47 118.16 113.18 1uub n LYS 39 Ca -0.10 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1uub n LYS 39 Cb 0.35 -3.72 0.00 0.00 0.00 0.00 0.00 35.03 31.66 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 -1.50 0.00 -4.71 3.14 2.88 -1.15 -4.84 113.62 107.45 1uub n SER 40 Ca 0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.16 1uub n SER 40 Cb 0.39 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 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 6.72 0.00 -3.46 2.47 -1.23 -4.99 114.94 114.46 1uub s ASN 41 Ca 0.00 2.42 0.00 0.00 0.42 0.00 0.00 52.86 55.70 1uub s ASN 41 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1uub s ASN 41 CO 0.00 -0.75 0.00 -3.20 -3.72 0.00 0.00 177.10 169.43 1uub n ASN 42 N 4.36 0.00 0.00 -4.21 2.85 -1.26 -4.95 115.26 112.05 1uub n ASN 42 Ca 0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1uub n ASN 42 Cb 0.41 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.43 1uub n ASN 42 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1uub n PHE 43 N -0.41 0.00 -2.89 1.20 3.72 0.10 -4.90 117.46 114.29 1uub n PHE 43 Ca 0.00 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1uub n PHE 43 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 1uub n PHE 43 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1uub n LYS 44 N 0.00 -0.89 0.18 -1.08 4.76 -1.02 -0.82 118.16 119.28 1uub n LYS 44 Ca 0.00 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.35 1uub n LYS 44 Cb 0.00 -1.96 -0.08 0.00 -1.84 0.00 0.00 35.03 31.15 1uub n LYS 44 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 1uub h SER 45 N -0.35 -0.35 0.00 4.39 0.02 -1.91 -3.37 113.55 111.97 1uub h SER 45 Ca -0.26 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1uub h SER 45 Cb 0.60 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1uub h SER 45 CO 0.37 -0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1uub n ALA 46 N -2.37 0.00 -0.06 3.77 0.00 -1.26 -4.87 120.51 115.72 1uub n ALA 46 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 1uub n ALA 46 Cb 0.23 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.89 1uub n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1uub h GLU 47 N 0.00 0.66 0.71 0.00 4.57 -1.99 -1.54 114.58 116.99 1uub h GLU 47 Ca 0.00 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1uub h GLU 47 Cb 0.00 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1uub h GLU 47 CO 0.00 0.70 -0.34 -0.44 -1.18 0.00 0.00 179.01 177.75 1uub h ASP 48 N 0.62 -0.81 -0.99 1.04 5.19 -1.92 -0.96 116.42 118.59 1uub h ASP 48 Ca 0.12 0.03 0.21 0.00 -0.62 0.00 0.00 57.03 56.77 1uub h ASP 48 Cb 0.44 0.21 -0.10 0.00 0.18 0.00 0.00 39.33 40.06 1uub h ASP 48 CO 0.02 -0.48 0.62 0.00 -3.12 0.00 0.00 179.24 176.28 1uub h MET 50 N 0.60 0.32 -0.27 0.00 2.86 -1.27 -0.01 114.93 117.17 1uub h MET 50 Ca 0.56 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1uub h MET 50 Cb 1.10 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.86 1uub h MET 50 CO -0.33 1.07 -0.07 0.07 1.06 0.00 0.00 176.91 178.71 1uub h ARG 51 N -0.27 0.43 0.04 1.72 -0.00 -0.68 0.50 114.38 116.12 1uub h ARG 51 Ca -0.07 -0.10 -0.14 0.00 -0.00 0.00 0.00 59.98 59.68 1uub h ARG 51 Cb 1.26 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 31.17 1uub h ARG 51 CO 0.10 0.51 -0.69 1.15 -0.00 0.00 0.00 179.97 181.04 1uub h THR 52 N 0.41 1.40 0.00 0.08 2.02 -1.49 -3.43 112.91 111.90 1uub h THR 52 Ca 0.08 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1uub h THR 52 Cb 0.38 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 1uub h THR 52 CO 0.02 0.57 0.00 0.00 0.37 0.00 0.00 175.52 176.48 1uub h GLY 54 N 0.00 0.37 0.00 0.00 0.00 0.17 -3.47 103.07 100.14 1uub h GLY 54 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1uub h GLY 54 CO 0.00 0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.76 1uub n GLY 55 N 1.18 0.64 0.91 4.60 0.00 0.11 -4.96 105.19 107.66 1uub n GLY 55 Ca -0.11 0.00 0.11 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