#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6pti s PRO 2 N 0.00 2.81 0.53 2.89 0.02 -1.26 -4.90 135.00 135.08 6pti s PRO 2 Ca 0.00 2.06 0.20 0.00 0.02 0.00 0.00 61.00 63.28 6pti s PRO 2 Cb 0.00 -1.98 1.36 0.00 0.02 0.00 0.00 34.50 33.91 6pti s PRO 2 CO 0.00 -1.40 2.12 -0.44 -0.33 0.00 0.00 177.00 176.95 6pti h ASP 3 N 0.87 0.00 0.26 2.53 3.45 -2.03 -1.67 116.42 119.84 6pti h ASP 3 Ca -0.51 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 56.95 6pti h ASP 3 Cb 1.32 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.09 6pti h ASP 3 CO 0.55 0.00 -0.00 2.19 -1.57 0.00 0.00 179.24 180.41 6pti h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -1.58 116.94 112.78 6pti h PHE 4 Ca 0.07 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.82 6pti h PHE 4 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.45 6pti h PHE 4 CO 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 178.31 176.20 6pti n LEU 6 N -3.58 1.26 -4.84 0.00 4.32 -0.59 -4.63 117.00 108.93 6pti n LEU 6 Ca -0.02 -0.38 -0.32 0.00 -0.02 0.00 0.00 56.01 55.27 6pti n LEU 6 Cb 0.24 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 41.93 6pti n LEU 6 CO 0.29 0.22 0.49 -1.61 -1.22 0.00 0.00 177.39 175.56 6pti s GLU 7 N -2.19 4.03 0.72 3.23 2.02 -0.90 -4.96 118.70 120.66 6pti s GLU 7 Ca 0.33 0.78 -0.13 0.00 0.02 0.00 0.00 54.97 55.97 6pti s GLU 7 Cb 0.20 -2.35 0.03 0.00 0.10 0.00 0.00 34.13 32.12 6pti s GLU 7 CO 0.40 0.07 1.11 -1.25 0.02 0.00 0.00 175.26 175.61 6pti s PRO 8 N -3.18 2.47 0.74 0.39 0.04 -1.26 -4.92 135.00 129.27 6pti s PRO 8 Ca 0.56 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 6pti s PRO 8 Cb -0.10 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.57 6pti s PRO 8 CO 0.18 -1.50 1.14 -1.25 0.04 0.00 0.00 177.00 175.61 6pti s PRO 9 N -4.42 2.25 -0.14 0.56 0.04 -1.26 -4.94 135.00 127.09 6pti s PRO 9 Ca 0.65 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 6pti s PRO 9 Cb -0.20 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.50 6pti s PRO 9 CO 0.48 -1.69 -0.07 -0.47 0.04 0.00 0.00 177.00 175.30 6pti s TYR 10 N -2.39 1.60 0.06 0.56 5.04 -1.26 -5.02 117.35 115.94 6pti s TYR 10 Ca 0.68 -0.91 -0.16 0.00 -2.44 0.00 0.00 57.07 54.24 6pti s TYR 10 Cb -0.23 -1.28 -0.19 0.00 0.35 0.00 0.00 41.96 40.61 6pti s TYR 10 CO 0.48 -0.57 1.22 1.15 -1.34 0.00 0.00 175.55 176.49 6pti h THR 11 N 6.27 1.33 0.00 4.34 2.02 -1.97 -3.44 112.91 121.46 6pti h THR 11 Ca -0.27 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 64.92 6pti h THR 11 Cb 1.12 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 6pti h THR 11 CO 0.41 0.61 0.00 0.61 0.37 0.00 0.00 175.52 177.52 6pti n GLY 12 N 0.84 -0.82 0.09 2.16 0.00 -1.26 -1.02 105.19 105.18 6pti n GLY 12 Ca -0.09 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.37 6pti n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 6pti n PRO 13 N -0.86 0.43 -2.03 1.61 -0.04 -1.26 -4.73 135.00 128.12 6pti n PRO 13 Ca 0.00 -0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 6pti n PRO 13 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 6pti n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6pti n LYS 15 N -2.93 2.69 -1.62 0.00 5.02 -1.12 -4.48 118.16 115.72 6pti n LYS 15 Ca 0.06 -2.36 -0.29 0.00 -2.02 0.00 0.00 58.31 53.70 6pti n LYS 15 Cb 0.58 -1.45 0.14 0.00 -0.02 0.00 0.00 35.03 34.29 6pti n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 6pti s ALA 16 N -1.05 1.90 -0.58 7.82 0.00 0.18 -5.03 121.76 125.01 6pti s ALA 16 Ca 0.38 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.70 6pti s ALA 16 Cb 0.20 -2.96 0.20 0.00 0.00 0.00 0.00 23.12 20.55 6pti s ALA 16 CO 0.26 -2.32 0.51 0.54 0.00 0.00 0.00 175.76 174.76 6pti n ARG 17 N -3.78 1.41 -3.55 0.00 1.74 -1.26 -4.18 116.66 107.05 6pti n ARG 17 Ca 0.09 -4.03 -0.37 0.00 -0.77 0.00 0.00 57.85 52.77 6pti n ARG 17 Cb 0.60 -1.98 -0.09 0.00 -1.02 0.00 0.00 32.46 29.96 6pti n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 6pti s ILE 18 N -1.25 5.29 -0.16 0.55 1.01 -0.58 -4.90 121.20 121.15 6pti s ILE 18 Ca 0.31 0.36 -0.28 0.00 0.00 0.00 0.00 60.65 61.05 6pti s ILE 18 Cb 0.05 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 6pti s ILE 18 CO -0.14 0.29 0.95 -0.63 0.00 0.00 0.00 174.94 175.41 6pti s ILE 19 N 1.31 4.79 0.23 2.92 -1.09 -1.26 0.50 121.20 128.60 6pti s ILE 19 Ca 0.11 1.89 0.06 0.00 -2.23 0.00 0.00 60.65 60.48 6pti s ILE 19 Cb -0.14 -4.25 -0.05 0.00 -1.58 0.00 0.00 42.46 36.44 6pti s ILE 19 CO 0.07 -0.04 -0.08 -0.13 -1.23 0.00 0.00 174.94 173.53 6pti s ARG 20 N 2.40 1.37 0.06 2.79 1.81 -0.39 -4.96 118.95 122.03 6pti s ARG 20 Ca 0.43 -1.65 0.03 0.00 -1.72 0.00 0.00 55.73 52.82 6pti s ARG 20 Cb -0.17 -0.95 -0.04 0.00 -0.45 0.00 0.00 34.95 33.34 6pti s ARG 20 CO 0.13 0.06 0.04 0.71 -0.68 0.00 0.00 175.30 175.55 6pti s TYR 21 N -3.13 3.10 0.01 -0.53 1.51 0.17 -1.04 117.35 117.44 6pti s TYR 21 Ca 0.25 0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.29 6pti s TYR 21 Cb 0.03 -1.61 -0.00 0.00 -0.11 0.00 0.00 41.96 40.27 6pti s TYR 21 CO 0.08 0.50 0.13 -0.59 -1.11 0.00 0.00 175.55 174.55 6pti s PHE 22 N -1.30 0.09 -0.12 2.71 -0.12 -0.34 -0.64 117.98 118.26 6pti s PHE 22 Ca 0.26 -0.25 -0.26 0.00 -0.05 0.00 0.00 56.93 56.63 6pti s PHE 22 Cb -0.12 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.18 6pti s PHE 22 CO 0.18 -0.31 0.84 -0.47 -0.05 0.00 0.00 175.22 175.41 6pti s TYR 23 N -1.77 3.50 -0.47 3.49 6.14 -1.26 -1.24 117.35 125.73 6pti s TYR 23 Ca -0.12 1.35 -0.10 0.00 0.64 0.00 0.00 57.07 58.84 6pti s TYR 23 Cb -0.06 -3.00 0.12 0.00 0.42 0.00 0.00 41.96 39.44 6pti s TYR 23 CO -0.00 -0.13 0.35 1.21 0.64 0.00 0.00 175.55 177.62 6pti s ASN 24 N 1.05 5.75 0.51 4.32 3.84 -0.65 -4.79 114.94 124.96 6pti s ASN 24 Ca 0.41 -1.86 0.20 0.00 0.21 0.00 0.00 52.86 51.82 6pti s ASN 24 Cb -0.18 -2.03 1.32 0.00 -0.55 0.00 0.00 41.25 39.81 6pti s ASN 24 CO 0.16 -0.70 2.10 0.00 -2.79 0.00 0.00 177.10 175.87 6pti h ALA 25 N 8.50 1.65 -0.48 1.71 0.00 -1.84 -0.35 119.26 128.44 6pti h ALA 25 Ca -0.22 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 6pti h ALA 25 Cb 1.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 6pti h ALA 25 CO 0.87 0.12 0.01 -0.22 0.00 0.00 0.00 179.25 180.02 6pti h LYS 26 N 0.00 0.85 0.00 0.00 3.64 -1.94 -3.13 116.57 115.99 6pti h LYS 26 Ca -0.00 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 6pti h LYS 26 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 6pti h LYS 26 CO 0.01 0.89 -0.57 0.00 -2.27 0.00 0.00 179.45 177.51 6pti h ALA 27 N 0.93 0.74 -0.10 5.00 0.00 -1.87 -3.47 119.26 120.48 6pti h ALA 27 Ca 0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 6pti h ALA 27 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 6pti h ALA 27 CO 0.02 0.41 -0.04 0.41 0.00 0.00 0.00 179.25 180.06 6pti n GLY 28 N 1.21 0.56 3.22 0.00 0.00 -0.19 -5.02 105.19 104.98 6pti n GLY 28 Ca 0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 6pti n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 6pti s LEU 29 N -0.50 1.28 0.02 0.99 1.43 -1.22 -4.87 118.68 115.80 6pti s LEU 29 Ca 0.00 -1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 51.65 6pti s LEU 29 Cb 0.00 0.52 -0.06 0.00 0.03 0.00 0.00 46.19 46.68 6pti s LEU 29 CO 0.00 -0.83 0.57 0.00 0.23 0.00 0.00 176.35 176.32 6pti s GLN 31 N -0.50 1.91 0.28 0.00 -0.21 -0.37 -4.91 119.66 115.86 6pti s GLN 31 Ca 0.30 -2.11 0.04 0.00 0.02 0.00 0.00 55.36 53.60 6pti s GLN 31 Cb -0.18 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.48 6pti s GLN 31 CO 0.17 -0.18 0.43 0.95 -2.12 0.00 0.00 175.29 174.54 6pti s THR 32 N -2.94 5.09 0.16 -0.19 -4.23 -1.26 -1.20 115.64 111.07 6pti s THR 32 Ca 0.29 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 6pti s THR 32 Cb 0.08 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 70.11 6pti s THR 32 CO 0.14 -0.38 0.35 0.72 -0.54 0.00 0.00 174.62 174.92 6pti s PHE 33 N -2.10 0.18 -0.29 3.99 -0.12 -0.21 -4.91 117.98 114.52 6pti s PHE 33 Ca 0.37 -0.54 -0.16 0.00 -0.05 0.00 0.00 56.93 56.54 6pti s PHE 33 Cb -0.09 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.37 6pti s PHE 33 CO 0.31 -0.76 0.43 0.08 -0.05 0.00 0.00 175.22 175.23 6pti s VAL 34 N -3.92 5.12 -0.14 -2.49 1.01 -1.26 -1.27 120.40 117.46 6pti s VAL 34 Ca 0.13 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 6pti s VAL 34 Cb 0.02 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 6pti s VAL 34 CO -0.03 0.06 0.08 -0.47 0.00 0.00 0.00 175.10 174.74 6pti s TYR 35 N 2.18 3.35 -0.87 5.22 5.04 0.18 -4.51 117.35 127.94 6pti s TYR 35 Ca 0.17 0.27 0.26 0.00 -2.44 0.00 0.00 57.07 55.33 6pti s TYR 35 Cb -0.16 -1.96 1.01 0.00 0.35 0.00 0.00 41.96 41.20 6pti s TYR 35 CO 0.10 0.45 1.81 0.41 -1.34 0.00 0.00 175.55 176.98 6pti n GLY 36 N 2.62 -1.48 0.00 8.97 0.00 -0.19 -1.52 105.19 113.58 6pti n GLY 36 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.78 6pti n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6pti n GLY 37 N 1.13 0.71 3.30 -0.02 0.00 -1.26 -0.65 105.19 108.40 6pti n GLY 37 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 6pti n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6pti n ARG 39 N -0.18 -7.35 -1.75 0.00 1.74 -1.26 -4.52 116.66 103.33 6pti n ARG 39 Ca -0.14 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.36 6pti n ARG 39 Cb 0.63 -5.79 0.06 0.00 -1.02 0.00 0.00 32.46 26.34 6pti n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 6pti s ALA 40 N -3.32 2.37 0.45 7.54 0.00 -1.26 -4.87 121.76 122.67 6pti s ALA 40 Ca 0.57 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.66 6pti s ALA 40 Cb -0.26 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.38 6pti s ALA 40 CO 0.75 -1.52 0.62 0.15 0.00 0.00 0.00 175.76 175.76 6pti s LYS 41 N -3.50 2.74 0.35 0.00 1.02 0.13 -5.06 119.74 115.43 6pti s LYS 41 Ca 0.79 -1.17 0.15 0.00 0.02 0.00 0.00 55.97 55.75 6pti s LYS 41 Cb -0.33 -2.70 0.65 0.00 -0.52 0.00 0.00 37.83 34.93 6pti s LYS 41 CO 0.39 -0.39 1.76 0.00 -0.92 0.00 0.00 175.35 176.18 6pti h ARG 42 N 0.50 0.00 -3.54 1.68 3.08 -1.93 -3.34 114.38 110.84 6pti h ARG 42 Ca -0.40 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.92 6pti h ARG 42 Cb 1.28 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 6pti h ARG 42 CO 0.46 0.43 2.57 -1.71 -1.07 0.00 0.00 179.97 180.65 6pti n ASN 43 N -3.83 5.24 -3.27 7.04 5.15 -1.26 -4.74 115.26 119.59 6pti n ASN 43 Ca -0.01 -2.99 -0.02 0.00 -0.60 0.00 0.00 54.58 50.96 6pti n ASN 43 Cb 0.48 -1.53 -0.04 0.00 -0.53 0.00 0.00 39.78 38.16 6pti n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 6pti s ASN 44 N 1.66 -0.66 0.06 1.20 3.84 -1.24 -4.61 114.94 115.20 6pti s ASN 44 Ca 0.46 0.64 0.05 0.00 0.21 0.00 0.00 52.86 54.21 6pti s ASN 44 Cb 0.13 1.70 -0.03 0.00 -0.55 0.00 0.00 41.25 42.50 6pti s ASN 44 CO -0.04 -0.27 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.49 6pti s PHE 45 N 2.72 1.27 -0.33 0.43 0.40 0.18 -4.94 117.98 117.71 6pti s PHE 45 Ca 0.16 -0.42 0.26 0.00 -0.60 0.00 0.00 56.93 56.32 6pti s PHE 45 Cb -0.15 -0.72 0.61 0.00 0.51 0.00 0.00 43.02 43.27 6pti s PHE 45 CO -0.18 0.06 1.71 0.87 0.70 0.00 0.00 175.22 178.37 6pti h LYS 46 N 4.47 0.00 -3.88 0.44 1.57 -1.94 0.52 116.57 117.76 6pti h LYS 46 Ca -0.40 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 6pti h LYS 46 Cb 1.19 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 6pti h LYS 46 CO 0.41 0.00 -0.38 -1.54 -0.57 0.00 0.00 179.45 177.37 6pti s SER 47 N -5.98 0.12 0.34 0.86 1.04 -1.26 -4.83 113.70 103.99 6pti s SER 47 Ca 0.06 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 55.76 6pti s SER 47 Cb 0.06 0.36 0.59 0.00 0.10 0.00 0.00 66.02 67.13 6pti s SER 47 CO 0.63 -0.77 1.94 0.00 0.98 0.00 0.00 173.24 176.02 6pti h ALA 48 N 2.71 1.44 -0.05 5.32 0.00 -1.96 -2.46 119.26 124.26 6pti h ALA 48 Ca -0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 6pti h ALA 48 Cb 1.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 6pti h ALA 48 CO 0.54 0.44 0.02 0.93 0.00 0.00 0.00 179.25 181.19 6pti h GLU 49 N 0.74 0.08 -0.76 0.00 3.07 -1.98 0.30 114.58 116.03 6pti h GLU 49 Ca 0.19 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 6pti h GLU 49 Cb 0.09 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 6pti h GLU 49 CO -0.02 0.20 0.50 0.22 -1.40 0.00 0.00 179.01 178.51 6pti h ASP 50 N -0.06 0.86 -0.09 1.42 1.82 -1.95 0.24 116.42 118.67 6pti h ASP 50 Ca 0.02 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 6pti h ASP 50 Cb 0.15 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 39.94 6pti h ASP 50 CO -0.00 0.62 0.05 0.00 -1.61 0.00 0.00 179.24 178.29 6pti h MET 52 N 0.04 0.74 0.00 0.00 2.86 -0.03 0.28 114.93 118.82 6pti h MET 52 Ca 0.03 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 6pti h MET 52 Cb 0.09 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 6pti h MET 52 CO -0.00 0.96 -0.13 0.00 1.06 0.00 0.00 176.91 178.79 6pti h ARG 53 N 0.62 0.00 0.02 1.72 3.08 -0.48 -0.51 114.38 118.83 6pti h ARG 53 Ca 0.07 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.79 6pti h ARG 53 Cb 0.86 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 6pti h ARG 53 CO 0.07 0.13 -1.81 2.41 -1.07 0.00 0.00 179.97 179.71 6pti n THR 54 N -3.58 1.58 0.59 2.04 -1.04 -0.92 -4.67 114.28 108.28 6pti n THR 54 Ca -0.01 -0.28 0.07 0.00 -2.04 0.00 0.00 64.05 61.79 6pti n THR 54 Cb 0.27 -1.90 -0.08 0.00 -1.82 0.00 0.00 70.33 66.80 6pti n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 6pti s GLY 56 N -2.49 1.57 0.00 0.00 0.00 -0.20 -4.96 107.32 101.24 6pti s GLY 56 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.14 6pti s GLY 56 CO 0.58 0.12 0.00 0.61 0.00 0.00 0.00 173.10 174.41