#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5pti s PRO 2 N 0.00 3.42 0.49 2.89 0.02 -1.26 -4.86 135.00 135.69 5pti s PRO 2 Ca 0.00 2.27 0.19 0.00 0.02 0.00 0.00 61.00 63.48 5pti s PRO 2 Cb 0.00 -2.44 1.23 0.00 0.02 0.00 0.00 34.50 33.31 5pti s PRO 2 CO 0.00 -0.98 2.07 -0.44 -0.33 0.00 0.00 177.00 177.31 5pti h ASP 3 N 1.87 0.00 0.34 2.53 5.19 -2.02 -1.06 116.42 123.27 5pti h ASP 3 Ca -0.51 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.89 5pti h ASP 3 Cb 1.28 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 5pti h ASP 3 CO 0.59 0.12 -0.07 2.19 -3.12 0.00 0.00 179.24 178.95 5pti h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.99 -2.24 116.94 112.11 5pti h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 5pti h PHE 4 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.40 5pti h PHE 4 CO 0.00 0.07 0.00 0.00 -2.00 0.00 0.00 178.31 176.38 5pti n LEU 6 N -2.49 0.81 -4.80 0.00 4.77 -0.84 -4.39 117.00 110.06 5pti n LEU 6 Ca -0.00 -0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 5pti n LEU 6 Cb 0.15 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 5pti n LEU 6 CO 0.17 0.17 0.66 -1.61 -1.33 0.00 0.00 177.39 175.46 5pti s GLU 7 N -2.80 4.35 0.69 3.23 0.41 -0.62 -4.92 118.70 119.03 5pti s GLU 7 Ca 0.16 1.27 -0.15 0.00 -0.41 0.00 0.00 54.97 55.84 5pti s GLU 7 Cb 0.18 -2.48 0.02 0.00 -1.78 0.00 0.00 34.13 30.07 5pti s GLU 7 CO 0.65 0.06 1.14 -1.25 -0.49 0.00 0.00 175.26 175.37 5pti s PRO 8 N -2.63 2.54 0.48 0.39 0.04 -1.26 -4.92 135.00 129.64 5pti s PRO 8 Ca 0.57 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 5pti s PRO 8 Cb -0.15 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 5pti s PRO 8 CO 0.20 -1.47 1.33 -1.25 0.04 0.00 0.00 177.00 175.84 5pti s PRO 9 N -4.10 3.56 -0.25 0.56 0.04 -1.26 -4.96 135.00 128.59 5pti s PRO 9 Ca 0.69 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.92 5pti s PRO 9 Cb -0.23 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 31.89 5pti s PRO 9 CO 0.44 -0.83 -0.10 -0.47 0.04 0.00 0.00 177.00 176.07 5pti s TYR 10 N -1.31 3.12 0.13 0.56 5.04 -1.26 -4.99 117.35 118.64 5pti s TYR 10 Ca 0.64 -2.23 -0.11 0.00 -2.44 0.00 0.00 57.07 52.93 5pti s TYR 10 Cb -0.38 -1.87 -0.09 0.00 0.35 0.00 0.00 41.96 39.97 5pti s TYR 10 CO 0.47 -0.86 1.40 1.15 -1.34 0.00 0.00 175.55 176.37 5pti h THR 11 N 6.75 1.28 0.00 4.34 2.02 -1.95 -3.45 112.91 121.89 5pti h THR 11 Ca -0.19 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.21 5pti h THR 11 Cb 1.05 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 5pti h THR 11 CO 0.45 0.58 0.00 0.61 0.37 0.00 0.00 175.52 177.53 5pti n GLY 12 N 0.42 -0.54 0.08 2.16 0.00 -1.26 -0.59 105.19 105.45 5pti n GLY 12 Ca -0.05 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.34 5pti n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 5pti n PRO 13 N -0.57 0.76 -2.71 1.61 -0.04 -1.26 -4.77 135.00 128.03 5pti n PRO 13 Ca 0.00 -0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 5pti n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 5pti n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 5pti n LYS 15 N -1.40 3.25 -1.62 0.00 4.76 -1.14 -4.40 118.16 117.62 5pti n LYS 15 Ca 0.04 -2.96 -0.29 0.00 -2.87 0.00 0.00 58.31 52.22 5pti n LYS 15 Cb 0.54 -1.96 0.11 0.00 -1.84 0.00 0.00 35.03 31.88 5pti n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 5pti s ALA 16 N -2.88 2.09 -0.49 7.82 0.00 -0.24 -5.04 121.76 123.01 5pti s ALA 16 Ca 0.46 -0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.00 5pti s ALA 16 Cb 0.37 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.60 5pti s ALA 16 CO 0.10 -1.99 0.31 1.03 0.00 0.00 0.00 175.76 175.21 5pti s ARG 17 N -5.30 1.51 -0.26 0.00 0.52 -1.26 -4.15 118.95 110.01 5pti s ARG 17 Ca 0.62 -2.34 -0.06 0.00 -0.52 0.00 0.00 55.73 53.44 5pti s ARG 17 Cb -0.14 -2.46 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 5pti s ARG 17 CO 0.53 -1.22 0.04 0.42 0.02 0.00 0.00 175.30 175.09 5pti s ILE 18 N -0.11 3.89 -0.20 1.52 1.01 -0.63 -4.94 121.20 121.74 5pti s ILE 18 Ca 0.22 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 5pti s ILE 18 Cb -0.15 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 5pti s ILE 18 CO -0.07 0.23 0.89 -0.63 0.00 0.00 0.00 174.94 175.37 5pti s ILE 19 N 1.52 4.81 0.29 2.92 -1.09 -1.26 -0.06 121.20 128.33 5pti s ILE 19 Ca 0.04 1.73 0.04 0.00 -2.23 0.00 0.00 60.65 60.23 5pti s ILE 19 Cb -0.16 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.48 5pti s ILE 19 CO 0.01 -0.05 0.03 -0.13 -1.23 0.00 0.00 174.94 173.56 5pti s ARG 20 N 2.60 1.53 0.04 2.79 1.81 -0.30 -4.97 118.95 122.47 5pti s ARG 20 Ca 0.39 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.58 5pti s ARG 20 Cb -0.16 -0.80 -0.04 0.00 -0.45 0.00 0.00 34.95 33.50 5pti s ARG 20 CO 0.10 -0.14 0.15 0.71 -0.68 0.00 0.00 175.30 175.44 5pti s TYR 21 N -3.32 3.41 0.07 -0.53 1.51 -0.02 -0.83 117.35 117.64 5pti s TYR 21 Ca 0.33 0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.63 5pti s TYR 21 Cb 0.07 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 5pti s TYR 21 CO 0.13 0.58 -0.07 -0.59 -1.11 0.00 0.00 175.55 174.49 5pti s PHE 22 N -1.40 0.73 -0.23 2.71 -0.12 0.46 -0.68 117.98 119.45 5pti s PHE 22 Ca 0.31 -0.72 -0.23 0.00 -0.05 0.00 0.00 56.93 56.23 5pti s PHE 22 Cb -0.13 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.81 5pti s PHE 22 CO 0.23 -0.14 0.77 -0.47 -0.05 0.00 0.00 175.22 175.56 5pti s TYR 23 N -2.52 3.33 -0.61 3.49 6.14 -1.26 -0.58 117.35 125.34 5pti s TYR 23 Ca 0.00 1.08 -0.18 0.00 0.64 0.00 0.00 57.07 58.61 5pti s TYR 23 Cb -0.02 -2.98 0.12 0.00 0.42 0.00 0.00 41.96 39.50 5pti s TYR 23 CO -0.03 -0.33 0.68 1.21 0.64 0.00 0.00 175.55 177.72 5pti s ASN 24 N 1.31 6.25 0.53 4.32 3.84 -0.14 -4.82 114.94 126.24 5pti s ASN 24 Ca 0.33 -1.64 0.30 0.00 0.21 0.00 0.00 52.86 52.06 5pti s ASN 24 Cb -0.16 -2.28 1.50 0.00 -0.55 0.00 0.00 41.25 39.77 5pti s ASN 24 CO 0.09 -1.01 2.07 0.00 -2.79 0.00 0.00 177.10 175.46 5pti h ALA 25 N 9.00 1.20 -0.23 1.71 0.00 -1.83 0.61 119.26 129.72 5pti h ALA 25 Ca -0.25 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 5pti h ALA 25 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 5pti h ALA 25 CO 1.06 0.13 -0.56 -0.22 0.00 0.00 0.00 179.25 179.66 5pti h LYS 26 N 0.00 0.71 0.00 0.00 3.64 -1.94 -3.30 116.57 115.68 5pti h LYS 26 Ca -0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 5pti h LYS 26 Cb 0.35 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 5pti h LYS 26 CO 0.01 1.08 -1.28 0.00 -2.27 0.00 0.00 179.45 176.99 5pti n ALA 27 N -2.55 2.96 -2.56 5.00 0.00 -0.91 -4.98 120.51 117.48 5pti n ALA 27 Ca -0.04 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 5pti n ALA 27 Cb 0.62 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.13 5pti n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 5pti n GLY 28 N 1.28 -0.21 3.09 0.00 0.00 0.16 -5.02 105.19 104.48 5pti n GLY 28 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 5pti n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 5pti s LEU 29 N -4.62 2.20 -0.01 0.99 1.43 -1.19 -4.85 118.68 112.63 5pti s LEU 29 Ca 0.12 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.21 5pti s LEU 29 Cb -0.05 0.35 -0.05 0.00 0.03 0.00 0.00 46.19 46.47 5pti s LEU 29 CO 0.14 -0.54 0.69 0.00 0.23 0.00 0.00 176.35 176.88 5pti s GLN 31 N 0.18 1.16 0.38 0.00 -0.21 0.25 -4.93 119.66 116.49 5pti s GLN 31 Ca 0.36 -1.56 -0.07 0.00 0.02 0.00 0.00 55.36 54.11 5pti s GLN 31 Cb -0.19 -0.36 -0.05 0.00 1.00 0.00 0.00 33.01 33.41 5pti s GLN 31 CO 0.19 -0.11 0.69 0.95 -2.12 0.00 0.00 175.29 174.89 5pti s THR 32 N -3.59 4.91 0.19 -0.19 -4.23 -1.26 -0.40 115.64 111.08 5pti s THR 32 Ca 0.25 0.25 -0.13 0.00 -1.18 0.00 0.00 61.69 60.88 5pti s THR 32 Cb 0.06 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.13 5pti s THR 32 CO 0.05 -0.55 0.41 0.72 -0.54 0.00 0.00 174.62 174.71 5pti s PHE 33 N -2.37 0.19 -0.35 3.99 -0.12 -0.01 -4.88 117.98 114.43 5pti s PHE 33 Ca 0.47 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.66 5pti s PHE 33 Cb -0.10 0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.43 5pti s PHE 33 CO 0.35 -0.84 0.31 0.08 -0.05 0.00 0.00 175.22 175.07 5pti s VAL 34 N -3.94 5.22 -0.07 -2.49 1.01 -1.26 -1.14 120.40 117.72 5pti s VAL 34 Ca 0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 5pti s VAL 34 Cb 0.01 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 5pti s VAL 34 CO 0.00 -0.08 0.35 -0.47 0.00 0.00 0.00 175.10 174.90 5pti s TYR 35 N 1.89 3.62 -1.15 5.22 5.04 0.91 -4.38 117.35 128.51 5pti s TYR 35 Ca 0.09 0.82 0.29 0.00 -2.44 0.00 0.00 57.07 55.83 5pti s TYR 35 Cb -0.17 -2.28 1.26 0.00 0.35 0.00 0.00 41.96 41.12 5pti s TYR 35 CO 0.11 0.51 1.92 0.41 -1.34 0.00 0.00 175.55 177.16 5pti n GLY 36 N 2.39 -1.39 0.00 8.97 0.00 0.24 -1.60 105.19 113.80 5pti n GLY 36 Ca -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.74 5pti n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5pti n GLY 37 N 1.43 0.43 3.19 -0.02 0.00 -1.26 -1.08 105.19 107.88 5pti n GLY 37 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 5pti n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5pti n ARG 39 N 0.21 -7.45 -1.64 0.00 1.74 -1.26 -4.51 116.66 103.75 5pti n ARG 39 Ca -0.16 0.79 -0.38 0.00 -0.77 0.00 0.00 57.85 57.33 5pti n ARG 39 Cb 0.61 -5.71 0.06 0.00 -1.02 0.00 0.00 32.46 26.40 5pti n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 5pti n ALA 40 N -4.79 0.36 -2.23 7.54 0.00 -1.26 -4.89 120.51 115.24 5pti n ALA 40 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 5pti n ALA 40 Cb 0.57 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.90 5pti n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 5pti s LYS 41 N -2.87 2.24 0.21 0.00 1.02 -1.26 -5.05 119.74 114.03 5pti s LYS 41 Ca 0.77 -1.88 0.08 0.00 0.02 0.00 0.00 55.97 54.96 5pti s LYS 41 Cb -0.41 -2.35 0.14 0.00 -0.52 0.00 0.00 37.83 34.68 5pti s LYS 41 CO 0.46 -0.80 1.48 0.00 -0.92 0.00 0.00 175.35 175.57 5pti h ARG 42 N 0.42 0.03 -3.60 1.68 3.08 -1.96 -3.34 114.38 110.69 5pti h ARG 42 Ca -0.32 -0.03 -0.76 0.00 0.07 0.00 0.00 59.98 58.94 5pti h ARG 42 Cb 1.30 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 31.19 5pti h ARG 42 CO 0.49 0.78 1.89 -1.71 -1.07 0.00 0.00 179.97 180.35 5pti n ASN 43 N -3.65 5.17 -3.41 7.04 5.15 -1.26 -4.71 115.26 119.58 5pti n ASN 43 Ca -0.01 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.86 5pti n ASN 43 Cb 0.74 -1.48 -0.03 0.00 -0.53 0.00 0.00 39.78 38.48 5pti n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 5pti s ASN 44 N 0.93 -1.11 0.08 1.20 3.84 -1.25 -4.62 114.94 114.00 5pti s ASN 44 Ca 0.39 1.15 0.03 0.00 0.21 0.00 0.00 52.86 54.65 5pti s ASN 44 Cb 0.08 2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 42.86 5pti s ASN 44 CO 0.01 -0.24 -0.10 -0.36 -2.79 0.00 0.00 177.10 173.62 5pti s PHE 45 N 2.84 0.98 -0.48 0.43 0.40 0.14 -4.97 117.98 117.32 5pti s PHE 45 Ca 0.07 -0.60 0.23 0.00 -0.60 0.00 0.00 56.93 56.04 5pti s PHE 45 Cb -0.14 -0.55 0.23 0.00 0.51 0.00 0.00 43.02 43.07 5pti s PHE 45 CO -0.19 -0.02 1.25 0.87 0.70 0.00 0.00 175.22 177.83 5pti h LYS 46 N 3.90 0.00 -3.88 0.44 1.57 -1.95 -0.01 116.57 116.64 5pti h LYS 46 Ca -0.37 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 5pti h LYS 46 Cb 1.19 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.30 5pti h LYS 46 CO 0.48 0.00 -0.64 -1.54 -0.57 0.00 0.00 179.45 177.18 5pti s SER 47 N -4.82 0.21 0.42 0.86 1.04 -1.26 -4.83 113.70 105.32 5pti s SER 47 Ca 0.04 -0.48 0.10 0.00 0.48 0.00 0.00 55.95 56.09 5pti s SER 47 Cb 0.11 0.14 0.90 0.00 0.10 0.00 0.00 66.02 67.27 5pti s SER 47 CO 0.74 -0.36 2.01 0.00 0.98 0.00 0.00 173.24 176.62 5pti h ALA 48 N 4.37 1.67 -0.23 5.32 0.00 -1.98 -2.14 119.26 126.27 5pti h ALA 48 Ca -0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 5pti h ALA 48 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 5pti h ALA 48 CO 0.44 0.25 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 5pti h GLU 49 N 0.32 0.43 -0.58 0.00 3.07 -1.98 0.69 114.58 116.53 5pti h GLU 49 Ca 0.08 -0.15 -0.09 0.00 -0.50 0.00 0.00 59.36 58.70 5pti h GLU 49 Cb 0.13 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 5pti h GLU 49 CO -0.00 0.64 0.00 -0.44 -1.40 0.00 0.00 179.01 177.81 5pti h ASP 50 N 0.19 0.97 0.09 1.42 5.19 -1.93 0.58 116.42 122.93 5pti h ASP 50 Ca 0.06 -0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.22 5pti h ASP 50 Cb 0.46 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 5pti h ASP 50 CO 0.02 1.02 -0.13 0.00 -3.12 0.00 0.00 179.24 177.03 5pti h MET 52 N -0.27 0.81 -0.66 0.00 2.86 -0.70 -0.26 114.93 116.72 5pti h MET 52 Ca 0.02 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 5pti h MET 52 Cb 0.28 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 5pti h MET 52 CO -0.06 0.80 0.41 -0.09 1.06 0.00 0.00 176.91 179.02 5pti h ARG 53 N 0.70 0.89 0.19 1.72 2.43 -0.79 0.82 114.38 120.33 5pti h ARG 53 Ca 0.15 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 58.96 5pti h ARG 53 Cb 0.36 -0.19 0.02 0.00 -0.42 0.00 0.00 29.97 29.74 5pti h ARG 53 CO 0.01 0.61 -1.38 1.15 -1.51 0.00 0.00 179.97 178.85 5pti h THR 54 N 0.91 1.21 0.00 0.20 2.02 -0.97 -3.42 112.91 112.86 5pti h THR 54 Ca 0.24 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.85 5pti h THR 54 Cb -0.06 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 5pti h THR 54 CO -0.05 0.78 -0.89 0.00 0.37 0.00 0.00 175.52 175.73 5pti n GLY 56 N 1.72 0.17 0.00 0.00 0.00 0.28 -4.90 105.19 102.46 5pti n GLY 56 Ca -0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 5pti n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5pti n GLY 57 N 5.00 3.06 0.00 -0.02 0.00 -1.26 -4.95 105.19 107.01 5pti n GLY 57 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 5pti n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32