#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbw n PRO 2 N 0.00 0.82 0.28 2.89 -0.02 -1.26 -4.81 135.00 132.90 1cbw n PRO 2 Ca 0.00 0.29 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 1cbw n PRO 2 Cb 0.00 -1.61 0.80 0.00 -0.02 0.00 0.00 33.50 32.67 1cbw n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1cbw h ASP 3 N 1.23 0.00 0.10 2.55 5.19 -2.03 -2.59 116.42 120.88 1cbw h ASP 3 Ca -0.39 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 1cbw h ASP 3 Cb 1.38 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.89 1cbw h ASP 3 CO 0.55 0.07 -0.07 2.19 -3.12 0.00 0.00 179.24 178.86 1cbw h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -2.04 116.94 112.32 1cbw h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1cbw h PHE 4 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.51 1cbw h PHE 4 CO 0.00 0.07 0.00 0.00 -2.00 0.00 0.00 178.31 176.38 1cbw n LEU 6 N -0.65 0.61 -4.75 0.00 4.77 -0.76 -4.50 117.00 111.72 1cbw n LEU 6 Ca 0.01 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.89 1cbw n LEU 6 Cb 0.01 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1cbw n LEU 6 CO 0.01 0.15 0.40 -1.61 -1.33 0.00 0.00 177.39 175.01 1cbw s GLU 7 N -0.20 4.43 0.85 3.23 0.41 -0.55 -5.00 118.70 121.86 1cbw s GLU 7 Ca 0.00 0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 55.36 1cbw s GLU 7 Cb 0.00 -3.37 0.06 0.00 -1.78 0.00 0.00 34.13 29.04 1cbw s GLU 7 CO 0.00 0.27 0.84 -0.35 -0.49 0.00 0.00 175.26 175.53 1cbw n PRO 8 N 2.95 -0.04 -1.74 0.39 -0.04 -1.26 -4.88 135.00 130.38 1cbw n PRO 8 Ca -0.04 0.05 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 1cbw n PRO 8 Cb 0.51 -2.15 0.04 0.00 -0.04 0.00 0.00 33.50 31.86 1cbw n PRO 8 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1cbw n PRO 9 N -2.51 1.70 -4.39 0.54 -0.04 -1.26 -5.00 135.00 124.03 1cbw n PRO 9 Ca 0.11 0.62 -0.29 0.00 -0.04 0.00 0.00 63.50 63.90 1cbw n PRO 9 Cb 0.51 -2.56 -0.17 0.00 -0.04 0.00 0.00 33.50 31.25 1cbw n PRO 9 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1cbw s TYR 10 N -1.29 2.00 -0.01 0.54 5.04 -1.26 -5.02 117.35 117.35 1cbw s TYR 10 Ca 0.71 -0.97 -0.10 0.00 -2.44 0.00 0.00 57.07 54.27 1cbw s TYR 10 Cb -0.42 -1.45 -0.31 0.00 0.35 0.00 0.00 41.96 40.13 1cbw s TYR 10 CO 0.50 -0.50 0.81 1.15 -1.34 0.00 0.00 175.55 176.16 1cbw h THR 11 N 5.97 1.09 0.00 4.34 2.02 -1.95 -3.44 112.91 120.94 1cbw h THR 11 Ca -0.32 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.21 1cbw h THR 11 Cb 1.17 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1cbw h THR 11 CO 0.49 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.83 1cbw n GLY 12 N 1.77 -0.65 0.02 2.16 0.00 -1.26 -0.53 105.19 106.71 1cbw n GLY 12 Ca -0.20 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.25 1cbw n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cbw n PRO 13 N -0.72 0.11 -2.34 1.61 -0.04 -1.26 -4.70 135.00 127.66 1cbw n PRO 13 Ca 0.00 -0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.07 1cbw n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 1cbw n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cbw n LYS 15 N -1.27 3.97 0.00 0.00 4.76 -1.15 -4.30 118.16 120.18 1cbw n LYS 15 Ca 0.10 -2.60 0.00 0.00 -2.87 0.00 0.00 58.31 52.95 1cbw n LYS 15 Cb 0.52 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 1cbw n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cbw n ALA 16 N 0.68 0.00 -2.96 7.82 0.00 0.38 -5.03 120.51 121.40 1cbw n ALA 16 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1cbw n ALA 16 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.39 1cbw n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1cbw n ARG 17 N -0.87 0.50 -3.80 0.00 0.63 -1.25 -4.41 116.66 107.46 1cbw n ARG 17 Ca 0.00 -2.38 -0.35 0.00 -0.92 0.00 0.00 57.85 54.19 1cbw n ARG 17 Cb 0.00 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 31.32 1cbw n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1cbw s ILE 18 N 0.45 5.19 0.23 5.15 1.09 -0.48 -4.92 121.20 127.92 1cbw s ILE 18 Ca 0.32 0.11 -0.30 0.00 -1.10 0.00 0.00 60.65 59.68 1cbw s ILE 18 Cb 0.06 -3.37 -0.09 0.00 -1.06 0.00 0.00 42.46 38.00 1cbw s ILE 18 CO -0.13 0.43 1.12 -0.63 -0.10 0.00 0.00 174.94 175.63 1cbw s ILE 19 N 0.52 3.62 0.13 2.92 -1.09 -1.26 -0.27 121.20 125.77 1cbw s ILE 19 Ca 0.06 1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 59.85 1cbw s ILE 19 Cb -0.12 -3.95 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1cbw s ILE 19 CO -0.00 0.30 0.32 -0.13 -1.23 0.00 0.00 174.94 174.19 1cbw s ARG 20 N -0.82 1.04 0.14 2.79 1.81 -0.51 -4.89 118.95 118.50 1cbw s ARG 20 Ca 0.48 -0.90 0.04 0.00 -1.72 0.00 0.00 55.73 53.63 1cbw s ARG 20 Cb -0.31 0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1cbw s ARG 20 CO 0.38 -0.38 0.15 0.71 -0.68 0.00 0.00 175.30 175.48 1cbw s TYR 21 N -3.86 3.22 0.05 -0.53 1.51 -0.45 0.34 117.35 117.63 1cbw s TYR 21 Ca 0.07 0.03 -0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1cbw s TYR 21 Cb 0.03 -1.57 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1cbw s TYR 21 CO -0.09 0.52 0.13 -0.59 -1.11 0.00 0.00 175.55 174.42 1cbw s PHE 22 N -1.66 0.17 -0.24 2.71 -0.71 -0.21 -0.29 117.98 117.75 1cbw s PHE 22 Ca 0.31 -0.49 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 1cbw s PHE 22 Cb -0.11 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 1cbw s PHE 22 CO 0.24 -0.42 0.52 -0.47 -1.34 0.00 0.00 175.22 173.75 1cbw s TYR 23 N -2.90 3.31 -0.54 3.49 5.04 -1.26 -1.25 117.35 123.24 1cbw s TYR 23 Ca -0.02 0.69 -0.18 0.00 -2.44 0.00 0.00 57.07 55.12 1cbw s TYR 23 Cb 0.01 -2.70 0.08 0.00 0.35 0.00 0.00 41.96 39.69 1cbw s TYR 23 CO -0.06 -0.22 0.61 1.21 -1.34 0.00 0.00 175.55 175.76 1cbw s ASN 24 N 1.39 6.19 0.53 4.32 3.84 -0.57 -4.77 114.94 125.88 1cbw s ASN 24 Ca 0.22 -1.24 0.21 0.00 0.21 0.00 0.00 52.86 52.26 1cbw s ASN 24 Cb -0.16 -2.27 1.41 0.00 -0.55 0.00 0.00 41.25 39.68 1cbw s ASN 24 CO 0.09 -0.94 2.15 0.00 -2.79 0.00 0.00 177.10 175.62 1cbw h ALA 25 N 9.02 1.76 -0.22 1.71 0.00 -1.83 0.71 119.26 130.42 1cbw h ALA 25 Ca -0.29 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 1cbw h ALA 25 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1cbw h ALA 25 CO 1.01 0.05 -0.58 0.87 0.00 0.00 0.00 179.25 180.59 1cbw h LYS 26 N 0.00 0.78 0.00 0.00 1.57 -1.93 -3.09 116.57 113.90 1cbw h LYS 26 Ca -0.00 -0.55 -0.15 0.00 -1.87 0.00 0.00 60.65 58.08 1cbw h LYS 26 Cb 0.07 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1cbw h LYS 26 CO 0.00 1.17 -0.73 0.00 -0.57 0.00 0.00 179.45 179.33 1cbw h ALA 27 N 0.61 0.56 0.00 3.86 0.00 -1.90 -3.47 119.26 118.93 1cbw h ALA 27 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1cbw h ALA 27 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1cbw h ALA 27 CO 0.13 0.91 0.00 0.41 0.00 0.00 0.00 179.25 180.70 1cbw n GLY 28 N 1.16 0.77 3.31 0.00 0.00 0.21 -5.02 105.19 105.62 1cbw n GLY 28 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1cbw n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cbw s LEU 29 N 0.00 1.61 0.05 0.99 0.05 -1.19 -4.51 118.68 115.68 1cbw s LEU 29 Ca 0.00 -1.40 -0.22 0.00 0.05 0.00 0.00 54.13 52.56 1cbw s LEU 29 Cb 0.00 0.06 -0.06 0.00 -2.05 0.00 0.00 46.19 44.14 1cbw s LEU 29 CO 0.00 -0.75 0.64 0.00 -0.55 0.00 0.00 176.35 175.69 1cbw s GLN 31 N -0.53 1.52 0.21 0.00 -0.21 -0.38 -4.93 119.66 115.35 1cbw s GLN 31 Ca 0.32 -1.74 -0.10 0.00 0.02 0.00 0.00 55.36 53.86 1cbw s GLN 31 Cb -0.20 -1.26 -0.07 0.00 1.00 0.00 0.00 33.01 32.49 1cbw s GLN 31 CO 0.20 0.12 0.53 0.95 -2.12 0.00 0.00 175.29 174.97 1cbw s THR 32 N -2.91 4.94 0.13 -0.19 -4.23 -1.26 -1.05 115.64 111.07 1cbw s THR 32 Ca 0.28 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 61.21 1cbw s THR 32 Cb 0.01 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 1cbw s THR 32 CO 0.11 -0.01 0.20 0.72 -0.54 0.00 0.00 174.62 175.10 1cbw s PHE 33 N -1.75 0.44 -0.27 3.99 -0.71 0.15 -4.92 117.98 114.92 1cbw s PHE 33 Ca 0.45 -0.83 -0.14 0.00 -1.04 0.00 0.00 56.93 55.37 1cbw s PHE 33 Cb -0.12 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 1cbw s PHE 33 CO 0.21 -0.62 0.32 0.08 -1.34 0.00 0.00 175.22 173.87 1cbw s VAL 34 N -3.96 5.22 -0.21 -2.49 1.01 -1.26 -1.42 120.40 117.29 1cbw s VAL 34 Ca 0.15 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1cbw s VAL 34 Cb 0.05 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 1cbw s VAL 34 CO -0.03 0.20 0.22 -0.47 0.00 0.00 0.00 175.10 175.01 1cbw s TYR 35 N 1.89 3.38 -0.99 5.22 5.04 0.63 -4.57 117.35 127.95 1cbw s TYR 35 Ca 0.13 0.38 0.12 0.00 -2.44 0.00 0.00 57.07 55.26 1cbw s TYR 35 Cb -0.16 -2.30 0.52 0.00 0.35 0.00 0.00 41.96 40.38 1cbw s TYR 35 CO 0.10 0.14 1.39 0.41 -1.34 0.00 0.00 175.55 176.25 1cbw n GLY 36 N 3.86 -0.92 0.00 8.97 0.00 0.31 -1.38 105.19 116.04 1cbw n GLY 36 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1cbw n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbw n GLY 37 N -0.26 2.21 3.26 -0.02 0.00 -1.26 -0.47 105.19 108.64 1cbw n GLY 37 Ca 0.03 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1cbw n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cbw n ARG 39 N -0.31 -6.26 -1.19 0.00 1.74 -1.26 -4.58 116.66 104.80 1cbw n ARG 39 Ca -0.03 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.46 1cbw n ARG 39 Cb 0.65 -5.62 0.12 0.00 -1.02 0.00 0.00 32.46 26.58 1cbw n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cbw s ALA 40 N -3.43 1.92 0.57 7.54 0.00 -1.26 -4.81 121.76 122.28 1cbw s ALA 40 Ca 0.22 0.78 0.08 0.00 0.00 0.00 0.00 51.96 53.04 1cbw s ALA 40 Cb -0.10 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.62 1cbw s ALA 40 CO 0.77 -2.16 0.62 0.15 0.00 0.00 0.00 175.76 175.13 1cbw s LYS 41 N -4.17 2.27 0.26 0.00 1.02 -1.26 -5.04 119.74 112.82 1cbw s LYS 41 Ca 0.72 -1.84 0.14 0.00 0.02 0.00 0.00 55.97 55.01 1cbw s LYS 41 Cb -0.27 -2.39 0.06 0.00 -0.52 0.00 0.00 37.83 34.71 1cbw s LYS 41 CO 0.50 -0.77 1.44 0.00 -0.92 0.00 0.00 175.35 175.60 1cbw h ARG 42 N 0.43 0.00 -4.06 1.68 3.08 -1.96 -3.33 114.38 110.22 1cbw h ARG 42 Ca -0.33 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.99 1cbw h ARG 42 Cb 1.30 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.23 1cbw h ARG 42 CO 0.48 0.56 2.33 -1.71 -1.07 0.00 0.00 179.97 180.56 1cbw n ASN 43 N -3.26 4.69 -3.15 7.04 5.15 -1.26 -4.68 115.26 119.79 1cbw n ASN 43 Ca 0.02 -2.99 0.05 0.00 -0.60 0.00 0.00 54.58 51.06 1cbw n ASN 43 Cb 0.75 -1.58 -0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1cbw n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1cbw s ASN 44 N 2.21 -1.13 0.24 1.20 3.84 -1.25 -4.66 114.94 115.39 1cbw s ASN 44 Ca 0.44 0.17 0.07 0.00 0.21 0.00 0.00 52.86 53.76 1cbw s ASN 44 Cb 0.09 1.73 -0.04 0.00 -0.55 0.00 0.00 41.25 42.48 1cbw s ASN 44 CO -0.02 -0.21 0.14 -0.36 -2.79 0.00 0.00 177.10 173.86 1cbw s PHE 45 N 2.88 3.01 -1.60 0.43 0.40 0.60 -4.93 117.98 118.78 1cbw s PHE 45 Ca 0.17 -0.12 0.27 0.00 -0.60 0.00 0.00 56.93 56.64 1cbw s PHE 45 Cb -0.07 -1.37 0.91 0.00 0.51 0.00 0.00 43.02 43.00 1cbw s PHE 45 CO -0.24 0.54 1.66 1.63 0.70 0.00 0.00 175.22 179.52 1cbw n LYS 46 N -0.96 0.66 -3.51 0.44 5.02 -1.26 -1.35 118.16 117.20 1cbw n LYS 46 Ca -0.08 -0.33 -0.14 0.00 -2.02 0.00 0.00 58.31 55.74 1cbw n LYS 46 Cb 0.58 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 1cbw n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1cbw s SER 47 N -2.57 -0.52 0.34 4.39 1.04 -1.26 -4.85 113.70 110.27 1cbw s SER 47 Ca 0.24 0.21 0.13 0.00 0.48 0.00 0.00 55.95 57.01 1cbw s SER 47 Cb 0.19 0.54 0.61 0.00 0.10 0.00 0.00 66.02 67.46 1cbw s SER 47 CO 0.52 -0.79 1.75 0.00 0.98 0.00 0.00 173.24 175.70 1cbw h ALA 48 N 2.53 1.19 0.21 5.32 0.00 -1.97 -2.34 119.26 124.20 1cbw h ALA 48 Ca -0.31 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1cbw h ALA 48 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1cbw h ALA 48 CO 0.40 0.57 -0.10 1.49 0.00 0.00 0.00 179.25 181.61 1cbw h GLU 49 N 0.00 -0.27 -0.00 0.00 4.81 -1.97 0.26 114.58 117.41 1cbw h GLU 49 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1cbw h GLU 49 Cb 0.83 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1cbw h GLU 49 CO 0.06 -0.08 -0.24 -0.44 -0.73 0.00 0.00 179.01 177.58 1cbw h ASP 50 N -0.41 -0.74 -0.89 1.04 3.32 -1.96 1.03 116.42 117.81 1cbw h ASP 50 Ca -0.03 0.08 0.23 0.00 0.02 0.00 0.00 57.03 57.33 1cbw h ASP 50 Cb 0.31 0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.02 1cbw h ASP 50 CO 0.05 -0.23 0.34 0.00 -1.72 0.00 0.00 179.24 177.68 1cbw h MET 52 N 0.33 0.97 0.00 0.00 2.86 0.18 -0.35 114.93 118.91 1cbw h MET 52 Ca 0.56 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1cbw h MET 52 Cb 1.10 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1cbw h MET 52 CO -0.57 1.05 -0.08 0.00 1.06 0.00 0.00 176.91 178.36 1cbw h ARG 53 N 0.83 0.00 0.01 1.72 3.08 0.27 0.45 114.38 120.74 1cbw h ARG 53 Ca 0.13 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.82 1cbw h ARG 53 Cb 0.69 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 1cbw h ARG 53 CO 0.05 0.08 -1.96 2.41 -1.07 0.00 0.00 179.97 179.48 1cbw n THR 54 N -3.20 1.55 0.17 2.04 -1.04 -0.37 -4.62 114.28 108.82 1cbw n THR 54 Ca 0.01 -0.27 0.05 0.00 -2.04 0.00 0.00 64.05 61.79 1cbw n THR 54 Cb 0.37 -1.90 0.08 0.00 -1.82 0.00 0.00 70.33 67.05 1cbw n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1cbw n GLY 56 N 0.45 1.21 3.62 0.00 0.00 0.15 -1.19 105.19 109.43 1cbw n GLY 56 Ca 0.07 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1cbw n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cbw n GLY 57 N 3.98 0.44 0.00 -0.02 0.00 -1.26 -4.76 105.19 103.57 1cbw n GLY 57 Ca 0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.39 1cbw n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32