#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0d n PRO 2 N 0.00 1.79 0.24 2.89 -0.02 -1.26 -4.89 135.00 133.74 1d0d n PRO 2 Ca 0.00 0.64 0.07 0.00 -2.02 0.00 0.00 63.50 62.19 1d0d n PRO 2 Cb 0.00 -2.43 0.57 0.00 -0.02 0.00 0.00 33.50 31.62 1d0d n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1d0d h ASP 3 N 1.77 0.00 0.48 2.55 3.32 -2.01 -2.34 116.42 120.18 1d0d h ASP 3 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1d0d h ASP 3 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1d0d h ASP 3 CO 0.58 0.13 0.00 2.19 -1.72 0.00 0.00 179.24 180.42 1d0d h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -1.40 116.94 112.95 1d0d h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1d0d h PHE 4 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.41 1d0d h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1d0d n LEU 6 N -2.80 2.13 -4.84 0.00 4.77 -0.53 -4.51 117.00 111.21 1d0d n LEU 6 Ca 0.01 -0.76 -0.33 0.00 -0.03 0.00 0.00 56.01 54.90 1d0d n LEU 6 Cb 0.25 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1d0d n LEU 6 CO 0.24 0.38 0.45 -0.70 -1.33 0.00 0.00 177.39 176.43 1d0d s GLU 7 N -1.93 4.05 0.80 3.23 2.56 -1.05 -4.92 118.70 121.45 1d0d s GLU 7 Ca 0.34 0.75 -0.11 0.00 0.00 0.00 0.00 54.97 55.95 1d0d s GLU 7 Cb 0.20 -2.42 0.08 0.00 2.00 0.00 0.00 34.13 33.99 1d0d s GLU 7 CO 0.31 0.14 1.12 -2.14 -0.56 0.00 0.00 175.26 174.13 1d0d s PRO 8 N -2.95 1.93 0.52 4.30 0.02 -1.26 -4.94 135.00 132.62 1d0d s PRO 8 Ca 0.55 1.35 -0.21 0.00 0.02 0.00 0.00 61.00 62.70 1d0d s PRO 8 Cb -0.10 -1.85 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 1d0d s PRO 8 CO 0.17 -1.92 1.18 -1.25 -0.33 0.00 0.00 177.00 174.85 1d0d s PRO 9 N -4.68 3.44 -0.28 5.54 0.04 -1.26 -5.00 135.00 132.80 1d0d s PRO 9 Ca 0.64 1.78 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1d0d s PRO 9 Cb -0.20 -2.18 0.07 0.00 0.04 0.00 0.00 34.50 32.23 1d0d s PRO 9 CO 0.54 -0.82 -0.05 -0.47 0.04 0.00 0.00 177.00 176.24 1d0d s TYR 10 N -1.60 3.24 0.14 0.56 5.04 -1.26 -4.98 117.35 118.48 1d0d s TYR 10 Ca 0.70 -2.42 -0.12 0.00 -2.44 0.00 0.00 57.07 52.79 1d0d s TYR 10 Cb -0.29 -2.15 -0.04 0.00 0.35 0.00 0.00 41.96 39.84 1d0d s TYR 10 CO 0.33 -0.88 1.49 1.15 -1.34 0.00 0.00 175.55 176.30 1d0d h THR 11 N 6.70 1.28 0.00 4.34 2.02 -1.96 -3.44 112.91 121.85 1d0d h THR 11 Ca -0.15 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1d0d h THR 11 Cb 1.04 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1d0d h THR 11 CO 0.47 0.49 0.00 0.61 0.37 0.00 0.00 175.52 177.46 1d0d n GLY 12 N 0.04 -0.19 0.00 2.16 0.00 -1.26 -0.59 105.19 105.35 1d0d n GLY 12 Ca -0.02 -1.79 0.16 0.00 0.00 0.00 0.00 46.02 44.36 1d0d n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d0d n PRO 13 N -0.12 0.88 -2.66 1.61 -0.04 -1.26 -4.74 135.00 128.66 1d0d n PRO 13 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 1d0d n PRO 13 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1d0d n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d0d n LYS 15 N -2.35 2.81 -0.93 0.00 2.85 -1.16 -4.53 118.16 114.84 1d0d n LYS 15 Ca 0.09 -2.10 -0.30 0.00 -1.05 0.00 0.00 58.31 54.96 1d0d n LYS 15 Cb 0.60 -1.30 0.17 0.00 -0.65 0.00 0.00 35.03 33.85 1d0d n LYS 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1d0d s ALA 16 N -1.00 0.97 -0.61 0.58 0.00 -0.11 -4.99 121.76 116.60 1d0d s ALA 16 Ca 0.26 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1d0d s ALA 16 Cb 0.13 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 20.17 1d0d s ALA 16 CO 0.18 -2.84 0.44 1.03 0.00 0.00 0.00 175.76 174.56 1d0d s ARG 17 N -4.76 1.98 -0.18 0.00 0.52 -1.26 -4.07 118.95 111.19 1d0d s ARG 17 Ca 0.65 -2.95 -0.02 0.00 -0.52 0.00 0.00 55.73 52.89 1d0d s ARG 17 Cb -0.21 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.42 1d0d s ARG 17 CO 0.59 -1.31 -0.08 0.42 0.02 0.00 0.00 175.30 174.95 1d0d s ILE 18 N -0.95 3.27 -0.11 1.52 1.01 -0.72 -4.96 121.20 120.26 1d0d s ILE 18 Ca 0.27 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 60.09 1d0d s ILE 18 Cb -0.03 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1d0d s ILE 18 CO -0.17 0.47 0.92 -0.63 0.00 0.00 0.00 174.94 175.54 1d0d s ILE 19 N 0.92 4.84 0.32 2.92 -1.09 -1.26 0.22 121.20 128.07 1d0d s ILE 19 Ca -0.01 1.87 0.04 0.00 -2.23 0.00 0.00 60.65 60.31 1d0d s ILE 19 Cb -0.15 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.43 1d0d s ILE 19 CO 0.00 0.05 0.06 -0.13 -1.23 0.00 0.00 174.94 173.69 1d0d s ARG 20 N 1.86 1.63 0.03 2.79 1.81 -0.63 -4.94 118.95 121.49 1d0d s ARG 20 Ca 0.45 -1.90 0.02 0.00 -1.72 0.00 0.00 55.73 52.57 1d0d s ARG 20 Cb -0.18 -0.83 -0.04 0.00 -0.45 0.00 0.00 34.95 33.45 1d0d s ARG 20 CO 0.17 -0.19 0.03 0.71 -0.68 0.00 0.00 175.30 175.35 1d0d s TYR 21 N -3.32 3.13 0.03 -0.53 1.51 0.44 -1.53 117.35 117.09 1d0d s TYR 21 Ca 0.36 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 1d0d s TYR 21 Cb 0.09 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 1d0d s TYR 21 CO 0.15 0.50 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.45 1d0d s PHE 22 N -1.20 0.45 -0.18 2.71 -0.12 -0.09 -0.52 117.98 119.03 1d0d s PHE 22 Ca 0.23 -0.61 -0.22 0.00 -0.05 0.00 0.00 56.93 56.27 1d0d s PHE 22 Cb -0.12 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 1d0d s PHE 22 CO 0.15 -0.18 0.69 -0.47 -0.05 0.00 0.00 175.22 175.36 1d0d s TYR 23 N -1.89 3.41 -0.50 3.49 6.14 -1.26 -0.81 117.35 125.93 1d0d s TYR 23 Ca -0.10 1.05 -0.17 0.00 0.64 0.00 0.00 57.07 58.49 1d0d s TYR 23 Cb -0.07 -2.86 0.07 0.00 0.42 0.00 0.00 41.96 39.53 1d0d s TYR 23 CO -0.02 -0.17 0.50 1.21 0.64 0.00 0.00 175.55 177.71 1d0d s ASN 24 N 1.15 6.18 0.50 4.32 3.84 -0.46 -4.79 114.94 125.67 1d0d s ASN 24 Ca 0.32 -1.23 0.18 0.00 0.21 0.00 0.00 52.86 52.34 1d0d s ASN 24 Cb -0.16 -2.23 1.24 0.00 -0.55 0.00 0.00 41.25 39.55 1d0d s ASN 24 CO 0.11 -0.78 2.09 0.00 -2.79 0.00 0.00 177.10 175.74 1d0d h ALA 25 N 8.88 1.75 -0.22 1.71 0.00 -1.84 0.12 119.26 129.65 1d0d h ALA 25 Ca -0.28 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1d0d h ALA 25 Cb 1.10 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1d0d h ALA 25 CO 0.94 0.11 -0.42 0.87 0.00 0.00 0.00 179.25 180.75 1d0d h LYS 26 N 0.00 0.53 0.00 0.00 1.79 -1.95 -3.26 116.57 113.68 1d0d h LYS 26 Ca -0.00 -0.27 -0.28 0.00 -2.18 0.00 0.00 60.65 57.91 1d0d h LYS 26 Cb 0.17 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.77 1d0d h LYS 26 CO 0.01 0.86 -1.74 0.00 -1.08 0.00 0.00 179.45 177.50 1d0d n ALA 27 N -2.50 1.56 -0.43 3.86 0.00 -0.83 -4.99 120.51 117.18 1d0d n ALA 27 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1d0d n ALA 27 Cb 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.17 1d0d n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0d n GLY 28 N 1.55 0.77 3.56 0.00 0.00 0.34 -5.05 105.19 106.36 1d0d n GLY 28 Ca -0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1d0d n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1d0d s LEU 29 N 0.00 0.56 0.00 0.99 0.05 -1.22 -5.00 118.68 114.07 1d0d s LEU 29 Ca 0.00 -1.16 -0.20 0.00 0.05 0.00 0.00 54.13 52.82 1d0d s LEU 29 Cb 0.00 1.70 -0.06 0.00 -2.05 0.00 0.00 46.19 45.79 1d0d s LEU 29 CO 0.00 -1.23 0.56 0.00 -0.55 0.00 0.00 176.35 175.13 1d0d s GLN 31 N -0.40 1.89 0.25 0.00 -0.21 0.01 -4.91 119.66 116.29 1d0d s GLN 31 Ca 0.29 -2.11 0.02 0.00 0.02 0.00 0.00 55.36 53.59 1d0d s GLN 31 Cb -0.18 -1.14 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 1d0d s GLN 31 CO 0.17 -0.25 0.40 0.95 -2.12 0.00 0.00 175.29 174.44 1d0d s THR 32 N -3.05 5.22 0.18 -0.19 -4.23 -1.26 -0.91 115.64 111.40 1d0d s THR 32 Ca 0.28 -0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 59.96 1d0d s THR 32 Cb 0.06 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1d0d s THR 32 CO 0.13 -0.32 0.45 0.72 -0.54 0.00 0.00 174.62 175.06 1d0d s PHE 33 N -2.01 0.02 -0.20 3.99 -0.12 -0.58 -4.90 117.98 114.19 1d0d s PHE 33 Ca 0.37 -0.37 -0.15 0.00 -0.05 0.00 0.00 56.93 56.72 1d0d s PHE 33 Cb -0.10 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1d0d s PHE 33 CO 0.31 -0.85 0.34 0.54 -0.05 0.00 0.00 175.22 175.51 1d0d s VAL 34 N -3.90 5.25 -0.14 -2.49 0.11 -1.26 -1.61 120.40 116.36 1d0d s VAL 34 Ca 0.11 0.60 -0.05 0.00 -2.93 0.00 0.00 61.98 59.71 1d0d s VAL 34 Cb 0.00 -3.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1d0d s VAL 34 CO -0.03 0.30 0.03 -0.47 -3.33 0.00 0.00 175.10 171.60 1d0d s TYR 35 N 1.07 3.20 -0.91 1.54 5.04 0.13 -4.28 117.35 123.14 1d0d s TYR 35 Ca 0.17 0.08 0.23 0.00 -2.44 0.00 0.00 57.07 55.11 1d0d s TYR 35 Cb -0.14 -1.94 0.96 0.00 0.35 0.00 0.00 41.96 41.18 1d0d s TYR 35 CO 0.07 0.28 1.74 0.41 -1.34 0.00 0.00 175.55 176.70 1d0d n GLY 36 N 2.91 -1.34 0.00 8.97 0.00 0.24 -1.76 105.19 114.21 1d0d n GLY 36 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1d0d n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d0d n GLY 37 N 0.84 0.73 3.24 -0.02 0.00 -1.26 -0.93 105.19 107.79 1d0d n GLY 37 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1d0d n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0d n ARG 39 N 0.36 -7.22 -1.96 0.00 5.12 -1.26 -4.52 116.66 107.18 1d0d n ARG 39 Ca -0.18 0.83 -0.37 0.00 -1.93 0.00 0.00 57.85 56.20 1d0d n ARG 39 Cb 0.60 -5.85 0.03 0.00 -1.16 0.00 0.00 32.46 26.08 1d0d n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1d0d s ALA 40 N -3.35 2.73 0.61 7.54 0.00 -1.26 -4.88 121.76 123.16 1d0d s ALA 40 Ca 0.30 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1d0d s ALA 40 Cb -0.13 -3.49 0.09 0.00 0.00 0.00 0.00 23.12 19.59 1d0d s ALA 40 CO 0.73 -1.16 0.84 0.15 0.00 0.00 0.00 175.76 176.33 1d0d s LYS 41 N -3.03 2.15 0.39 0.00 1.02 -1.26 -5.03 119.74 113.99 1d0d s LYS 41 Ca 0.72 -1.40 0.20 0.00 0.02 0.00 0.00 55.97 55.51 1d0d s LYS 41 Cb -0.34 -2.55 0.72 0.00 -0.52 0.00 0.00 37.83 35.14 1d0d s LYS 41 CO 0.39 -1.00 1.75 0.00 -0.92 0.00 0.00 175.35 175.58 1d0d h ARG 42 N -0.02 0.00 -4.32 1.68 3.08 -1.96 -3.33 114.38 109.51 1d0d h ARG 42 Ca -0.33 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.99 1d0d h ARG 42 Cb 1.28 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.22 1d0d h ARG 42 CO 0.41 0.34 2.23 -1.71 -1.07 0.00 0.00 179.97 180.17 1d0d n ASN 43 N -3.50 4.76 -3.25 7.04 5.15 -1.26 -4.73 115.26 119.47 1d0d n ASN 43 Ca -0.00 -2.98 0.03 0.00 -0.60 0.00 0.00 54.58 51.03 1d0d n ASN 43 Cb 0.49 -1.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.13 1d0d n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1d0d s ASN 44 N 2.50 -1.31 0.10 1.20 3.84 -1.25 -4.64 114.94 115.39 1d0d s ASN 44 Ca 0.45 0.99 0.08 0.00 0.21 0.00 0.00 52.86 54.59 1d0d s ASN 44 Cb 0.07 2.17 -0.03 0.00 -0.55 0.00 0.00 41.25 42.91 1d0d s ASN 44 CO -0.01 -0.25 -0.19 -0.36 -2.79 0.00 0.00 177.10 173.50 1d0d s PHE 45 N 2.87 1.70 -0.62 0.43 0.40 0.32 -4.95 117.98 118.12 1d0d s PHE 45 Ca 0.15 -0.43 0.25 0.00 -0.60 0.00 0.00 56.93 56.29 1d0d s PHE 45 Cb -0.14 -0.92 0.50 0.00 0.51 0.00 0.00 43.02 42.97 1d0d s PHE 45 CO -0.20 0.19 1.52 0.87 0.70 0.00 0.00 175.22 178.30 1d0d h LYS 46 N 4.02 0.00 -3.89 0.44 1.57 -1.94 0.13 116.57 116.90 1d0d h LYS 46 Ca -0.45 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.16 1d0d h LYS 46 Cb 1.18 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1d0d h LYS 46 CO 0.41 0.00 -0.67 -1.54 -0.57 0.00 0.00 179.45 177.08 1d0d s SER 47 N -4.66 0.19 0.30 0.86 1.04 -1.26 -4.84 113.70 105.32 1d0d s SER 47 Ca 0.08 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.10 1d0d s SER 47 Cb 0.12 0.11 0.46 0.00 0.10 0.00 0.00 66.02 66.81 1d0d s SER 47 CO 0.67 -0.28 1.84 0.00 0.98 0.00 0.00 173.24 176.45 1d0d h ALA 48 N 4.74 1.26 -0.52 5.32 0.00 -1.98 -2.34 119.26 125.74 1d0d h ALA 48 Ca -0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1d0d h ALA 48 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1d0d h ALA 48 CO 0.42 0.51 0.28 0.93 0.00 0.00 0.00 179.25 181.39 1d0d h GLU 49 N 0.70 0.72 -0.51 0.00 3.07 -1.99 -0.12 114.58 116.45 1d0d h GLU 49 Ca 0.15 -0.09 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 1d0d h GLU 49 Cb 0.31 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1d0d h GLU 49 CO 0.00 0.56 -0.10 0.22 -1.40 0.00 0.00 179.01 178.29 1d0d h ASP 50 N 0.69 0.93 -0.44 1.42 3.58 -1.94 -1.15 116.42 119.51 1d0d h ASP 50 Ca 0.18 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 1d0d h ASP 50 Cb 0.05 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1d0d h ASP 50 CO -0.03 1.05 0.18 0.00 -2.88 0.00 0.00 179.24 177.56 1d0d h MET 52 N 0.57 0.48 -0.49 0.00 2.86 -0.80 -0.79 114.93 116.75 1d0d h MET 52 Ca 0.15 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1d0d h MET 52 Cb 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1d0d h MET 52 CO -0.01 0.80 0.17 -0.09 1.06 0.00 0.00 176.91 178.84 1d0d h ARG 53 N 0.40 0.76 -0.06 1.72 1.12 -1.06 0.45 114.38 117.70 1d0d h ARG 53 Ca 0.04 -0.15 -0.14 0.00 -1.11 0.00 0.00 59.98 58.61 1d0d h ARG 53 Cb 0.88 -0.11 0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1d0d h ARG 53 CO 0.07 0.70 -0.52 1.15 -3.11 0.00 0.00 179.97 178.27 1d0d h THR 54 N 0.66 1.39 0.00 0.20 2.02 -1.21 -3.41 112.91 112.57 1d0d h THR 54 Ca 0.16 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1d0d h THR 54 Cb 0.25 2.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1d0d h THR 54 CO -0.01 0.56 -0.46 0.00 0.37 0.00 0.00 175.52 175.98 1d0d h GLY 56 N 1.48 0.50 -0.80 0.00 0.00 -0.20 -3.40 103.07 100.65 1d0d h GLY 56 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1d0d h GLY 56 CO 0.00 0.04 -0.08 0.61 0.00 0.00 0.00 176.54 177.11 1d0d n GLY 57 N -1.22 0.76 0.00 4.60 0.00 -1.26 -5.04 105.19 103.02 1d0d n GLY 57 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1d0d n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32