#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p2m s PRO 2 N 0.00 3.52 0.57 5.56 0.02 -1.26 -4.89 135.00 138.52 1p2m s PRO 2 Ca 0.00 2.38 0.34 0.00 0.02 0.00 0.00 61.00 63.74 1p2m s PRO 2 Cb 0.00 -2.54 1.69 0.00 0.02 0.00 0.00 34.50 33.67 1p2m s PRO 2 CO 0.00 -0.93 2.12 -0.44 -0.33 0.00 0.00 177.00 177.42 1p2m h ASP 3 N 2.07 0.00 0.38 2.53 3.32 -2.01 -2.16 116.42 120.55 1p2m h ASP 3 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1p2m h ASP 3 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1p2m h ASP 3 CO 0.60 0.05 0.00 2.19 -1.72 0.00 0.00 179.24 180.36 1p2m h PHE 4 N 0.00 0.00 0.00 4.55 -5.15 -1.98 -0.60 116.94 113.75 1p2m h PHE 4 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1p2m h PHE 4 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 1p2m h PHE 4 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 1p2m n LEU 6 N -2.89 1.75 -4.78 0.00 4.77 -0.23 -4.56 117.00 111.05 1p2m n LEU 6 Ca 0.01 -0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.03 1p2m n LEU 6 Cb 0.27 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1p2m n LEU 6 CO 0.25 0.30 0.51 -1.61 -1.33 0.00 0.00 177.39 175.51 1p2m s GLU 7 N -2.21 4.53 0.77 3.23 0.41 -1.02 -4.96 118.70 119.46 1p2m s GLU 7 Ca 0.29 1.15 -0.13 0.00 -0.41 0.00 0.00 54.97 55.88 1p2m s GLU 7 Cb 0.20 -3.11 0.06 0.00 -1.78 0.00 0.00 34.13 29.50 1p2m s GLU 7 CO 0.41 0.48 1.15 -1.25 -0.49 0.00 0.00 175.26 175.57 1p2m s PRO 8 N -1.47 2.01 0.52 0.39 0.04 -1.26 -4.91 135.00 130.31 1p2m s PRO 8 Ca 0.40 1.50 -0.23 0.00 0.04 0.00 0.00 61.00 62.72 1p2m s PRO 8 Cb -0.21 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1p2m s PRO 8 CO 0.25 -1.88 1.36 -1.25 0.04 0.00 0.00 177.00 175.52 1p2m s PRO 9 N -4.35 3.32 -0.23 0.56 0.04 -1.26 -5.00 135.00 128.07 1p2m s PRO 9 Ca 0.68 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.98 1p2m s PRO 9 Cb -0.23 -2.37 0.05 0.00 0.04 0.00 0.00 34.50 31.99 1p2m s PRO 9 CO 0.50 -1.05 -0.12 -0.47 0.04 0.00 0.00 177.00 175.90 1p2m s TYR 10 N -1.29 2.90 0.09 0.56 5.04 -1.26 -5.00 117.35 118.38 1p2m s TYR 10 Ca 0.68 -1.98 -0.15 0.00 -2.44 0.00 0.00 57.07 53.19 1p2m s TYR 10 Cb -0.40 -1.83 -0.14 0.00 0.35 0.00 0.00 41.96 39.94 1p2m s TYR 10 CO 0.49 -0.83 1.32 1.15 -1.34 0.00 0.00 175.55 176.35 1p2m h THR 11 N 6.52 1.31 0.00 4.34 2.02 -1.95 -3.43 112.91 121.72 1p2m h THR 11 Ca -0.26 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.16 1p2m h THR 11 Cb 1.07 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1p2m h THR 11 CO 0.49 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.55 1p2m n GLY 12 N 0.53 -0.12 0.07 2.16 0.00 -1.26 -0.16 105.19 106.41 1p2m n GLY 12 Ca -0.06 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1p2m n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1p2m n PRO 13 N -0.04 0.19 -2.41 1.61 -0.04 -1.26 -4.72 135.00 128.32 1p2m n PRO 13 Ca 0.00 0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 63.26 1p2m n PRO 13 Cb 0.00 -1.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1p2m n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1p2m n GLY 15 N -0.87 3.85 3.95 0.00 0.00 -1.24 -4.39 105.19 106.49 1p2m n GLY 15 Ca 0.08 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1p2m n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2m s ALA 16 N -2.45 3.12 -0.51 4.61 0.00 -0.30 -5.04 121.76 121.19 1p2m s ALA 16 Ca 0.42 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1p2m s ALA 16 Cb 0.36 -2.44 0.23 0.00 0.00 0.00 0.00 23.12 21.26 1p2m s ALA 16 CO 0.08 -1.61 0.57 -2.13 0.00 0.00 0.00 175.76 172.68 1p2m n ARG 17 N -3.08 1.38 -3.73 0.00 0.63 -1.26 -4.25 116.66 106.35 1p2m n ARG 17 Ca 0.12 -3.84 -0.36 0.00 -0.92 0.00 0.00 57.85 52.84 1p2m n ARG 17 Cb 0.60 -1.74 -0.10 0.00 0.45 0.00 0.00 32.46 31.67 1p2m n ARG 17 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p2m s ILE 18 N -1.48 5.17 -0.12 5.15 1.01 -0.52 -4.91 121.20 125.49 1p2m s ILE 18 Ca 0.35 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 1p2m s ILE 18 Cb 0.12 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 1p2m s ILE 18 CO -0.10 0.37 1.21 -0.63 0.00 0.00 0.00 174.94 175.79 1p2m s ILE 19 N 0.98 4.32 0.28 2.92 1.01 -1.26 0.10 121.20 129.55 1p2m s ILE 19 Ca 0.07 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.35 1p2m s ILE 19 Cb -0.13 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1p2m s ILE 19 CO 0.04 -0.08 0.10 -0.13 0.00 0.00 0.00 174.94 174.87 1p2m s ARG 20 N 2.87 1.49 0.06 2.79 1.81 -0.64 -4.94 118.95 122.39 1p2m s ARG 20 Ca 0.54 -1.82 0.08 0.00 -1.72 0.00 0.00 55.73 52.81 1p2m s ARG 20 Cb -0.22 -0.36 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 1p2m s ARG 20 CO 0.17 -0.30 -0.19 0.71 -0.68 0.00 0.00 175.30 175.01 1p2m s TYR 21 N -3.64 2.52 0.04 -0.53 1.51 0.20 -1.05 117.35 116.40 1p2m s TYR 21 Ca 0.37 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 1p2m s TYR 21 Cb 0.07 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1p2m s TYR 21 CO 0.14 0.27 -0.05 -0.59 -1.11 0.00 0.00 175.55 174.22 1p2m s PHE 22 N -0.97 0.49 -0.08 2.71 -0.71 0.16 -0.51 117.98 119.07 1p2m s PHE 22 Ca 0.15 -0.61 -0.24 0.00 -1.04 0.00 0.00 56.93 55.19 1p2m s PHE 22 Cb -0.10 -0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 1p2m s PHE 22 CO 0.06 -0.17 0.73 -0.47 -1.34 0.00 0.00 175.22 174.03 1p2m s TYR 23 N -1.90 3.55 -0.49 3.49 5.04 -1.26 -0.57 117.35 125.21 1p2m s TYR 23 Ca -0.09 1.26 -0.09 0.00 -2.44 0.00 0.00 57.07 55.71 1p2m s TYR 23 Cb -0.07 -2.85 0.13 0.00 0.35 0.00 0.00 41.96 39.52 1p2m s TYR 23 CO -0.02 0.03 0.37 1.21 -1.34 0.00 0.00 175.55 175.80 1p2m s ASN 24 N 0.88 5.74 0.54 4.32 3.84 -0.23 -4.79 114.94 125.24 1p2m s ASN 24 Ca 0.38 -1.98 0.20 0.00 0.21 0.00 0.00 52.86 51.67 1p2m s ASN 24 Cb -0.18 -2.02 1.39 0.00 -0.55 0.00 0.00 41.25 39.89 1p2m s ASN 24 CO 0.18 -0.68 2.14 0.00 -2.79 0.00 0.00 177.10 175.94 1p2m h ALA 25 N 8.38 2.00 -0.22 1.71 0.00 -1.83 0.17 119.26 129.46 1p2m h ALA 25 Ca -0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1p2m h ALA 25 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1p2m h ALA 25 CO 0.86 -0.12 -0.24 0.87 0.00 0.00 0.00 179.25 180.62 1p2m h LYS 26 N 0.00 0.41 0.00 0.00 1.57 -1.94 -3.16 116.57 113.45 1p2m h LYS 26 Ca 0.04 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1p2m h LYS 26 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1p2m h LYS 26 CO -0.00 0.63 -1.88 0.00 -0.57 0.00 0.00 179.45 177.63 1p2m n ALA 27 N -2.48 2.58 -0.79 3.86 0.00 -0.74 -5.00 120.51 117.94 1p2m n ALA 27 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1p2m n ALA 27 Cb 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1p2m n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p2m n GLY 28 N 1.31 0.59 3.32 0.00 0.00 0.50 -5.04 105.19 105.87 1p2m n GLY 28 Ca -0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1p2m n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1p2m s LEU 29 N 0.00 1.13 -0.01 0.99 0.05 -1.19 -4.70 118.68 114.95 1p2m s LEU 29 Ca 0.00 -1.41 -0.17 0.00 0.05 0.00 0.00 54.13 52.60 1p2m s LEU 29 Cb 0.00 0.77 -0.06 0.00 -2.05 0.00 0.00 46.19 44.86 1p2m s LEU 29 CO 0.00 -0.99 0.48 0.00 -0.55 0.00 0.00 176.35 175.29 1p2m s GLN 31 N -0.60 1.61 0.34 0.00 -0.21 0.26 -4.91 119.66 116.15 1p2m s GLN 31 Ca 0.26 -1.81 -0.06 0.00 0.02 0.00 0.00 55.36 53.77 1p2m s GLN 31 Cb -0.17 -1.30 -0.05 0.00 1.00 0.00 0.00 33.01 32.49 1p2m s GLN 31 CO 0.14 0.08 0.63 0.95 -2.12 0.00 0.00 175.29 174.97 1p2m s THR 32 N -2.90 4.96 0.20 -0.19 -4.23 -1.26 -0.67 115.64 111.55 1p2m s THR 32 Ca 0.30 0.18 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1p2m s THR 32 Cb 0.03 -3.76 0.03 0.00 1.34 0.00 0.00 72.50 70.14 1p2m s THR 32 CO 0.13 -0.45 0.53 0.72 -0.54 0.00 0.00 174.62 175.01 1p2m s PHE 33 N -2.24 -0.10 -0.24 3.99 -0.71 -0.21 -4.88 117.98 113.58 1p2m s PHE 33 Ca 0.46 -0.25 -0.14 0.00 -1.04 0.00 0.00 56.93 55.96 1p2m s PHE 33 Cb -0.10 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 1p2m s PHE 33 CO 0.32 -0.94 0.33 0.08 -1.34 0.00 0.00 175.22 173.67 1p2m s VAL 34 N -3.88 5.23 -0.14 -2.49 1.01 -1.26 -1.62 120.40 117.25 1p2m s VAL 34 Ca 0.10 0.51 -0.07 0.00 0.00 0.00 0.00 61.98 62.52 1p2m s VAL 34 Cb -0.01 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1p2m s VAL 34 CO -0.02 0.24 0.11 -0.47 0.00 0.00 0.00 175.10 174.96 1p2m s TYR 35 N 1.56 3.46 -0.68 5.22 5.04 0.11 -4.43 117.35 127.64 1p2m s TYR 35 Ca 0.14 0.39 0.24 0.00 -2.44 0.00 0.00 57.07 55.41 1p2m s TYR 35 Cb -0.15 -1.97 0.91 0.00 0.35 0.00 0.00 41.96 41.10 1p2m s TYR 35 CO 0.08 0.55 1.74 0.41 -1.34 0.00 0.00 175.55 176.99 1p2m n GLY 36 N 2.45 -1.45 0.00 8.97 0.00 0.77 -1.44 105.19 114.48 1p2m n GLY 36 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1p2m n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2m n GLY 37 N 0.68 1.74 3.13 -0.02 0.00 -1.26 -1.15 105.19 108.31 1p2m n GLY 37 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1p2m n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p2m n ARG 39 N 0.88 -7.21 -1.82 0.00 1.74 -1.26 -4.49 116.66 104.51 1p2m n ARG 39 Ca -0.20 0.76 -0.41 0.00 -0.77 0.00 0.00 57.85 57.23 1p2m n ARG 39 Cb 0.58 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 1p2m n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p2m s ALA 40 N -3.29 3.48 0.87 7.54 0.00 -1.26 -4.87 121.76 124.23 1p2m s ALA 40 Ca 0.53 1.52 -0.09 0.00 0.00 0.00 0.00 51.96 53.92 1p2m s ALA 40 Cb -0.23 -3.60 0.18 0.00 0.00 0.00 0.00 23.12 19.47 1p2m s ALA 40 CO 0.65 -1.07 1.19 0.15 0.00 0.00 0.00 175.76 176.69 1p2m s LYS 41 N -2.18 0.96 0.36 0.00 1.02 -1.26 -5.00 119.74 113.64 1p2m s LYS 41 Ca 0.55 -0.83 0.19 0.00 0.02 0.00 0.00 55.97 55.90 1p2m s LYS 41 Cb -0.45 -2.06 0.49 0.00 -0.52 0.00 0.00 37.83 35.29 1p2m s LYS 41 CO 0.61 -2.07 1.64 0.00 -0.92 0.00 0.00 175.35 174.60 1p2m h ARG 42 N -1.20 0.00 -3.40 1.68 3.08 -1.95 -3.32 114.38 109.27 1p2m h ARG 42 Ca -0.40 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 58.93 1p2m h ARG 42 Cb 1.24 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.21 1p2m h ARG 42 CO 0.36 0.35 2.81 -1.71 -1.07 0.00 0.00 179.97 180.71 1p2m n ASN 43 N -3.33 5.95 -3.36 7.04 5.15 -1.26 -4.69 115.26 120.76 1p2m n ASN 43 Ca 0.01 -2.92 -0.04 0.00 -0.60 0.00 0.00 54.58 51.02 1p2m n ASN 43 Cb 0.58 -1.53 -0.06 0.00 -0.53 0.00 0.00 39.78 38.24 1p2m n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1p2m s ASN 44 N 1.77 -0.44 0.12 1.20 3.84 -1.25 -4.52 114.94 115.66 1p2m s ASN 44 Ca 0.50 0.64 0.07 0.00 0.21 0.00 0.00 52.86 54.29 1p2m s ASN 44 Cb 0.14 1.57 -0.04 0.00 -0.55 0.00 0.00 41.25 42.37 1p2m s ASN 44 CO -0.06 -0.27 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.45 1p2m s PHE 45 N 2.68 1.60 -0.74 0.43 0.40 0.33 -4.92 117.98 117.76 1p2m s PHE 45 Ca 0.12 -0.48 0.26 0.00 -0.60 0.00 0.00 56.93 56.22 1p2m s PHE 45 Cb -0.15 -0.84 0.78 0.00 0.51 0.00 0.00 43.02 43.33 1p2m s PHE 45 CO -0.17 0.21 1.73 1.63 0.70 0.00 0.00 175.22 179.32 1p2m n LYS 46 N 0.67 0.25 -3.88 0.44 5.02 -1.26 -0.62 118.16 118.78 1p2m n LYS 46 Ca -0.16 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 1p2m n LYS 46 Cb 0.56 -1.77 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1p2m n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1p2m s SER 47 N -4.38 0.08 0.29 4.39 1.04 -1.26 -4.86 113.70 109.00 1p2m s SER 47 Ca 0.10 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1p2m s SER 47 Cb 0.13 0.26 0.43 0.00 0.10 0.00 0.00 66.02 66.95 1p2m s SER 47 CO 0.61 -0.53 1.83 0.00 0.98 0.00 0.00 173.24 176.13 1p2m h ALA 48 N 3.57 1.24 -0.27 5.32 0.00 -1.97 -2.52 119.26 124.63 1p2m h ALA 48 Ca -0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1p2m h ALA 48 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1p2m h ALA 48 CO 0.49 0.52 0.16 1.49 0.00 0.00 0.00 179.25 181.90 1p2m h GLU 49 N 0.75 0.37 -0.75 0.00 4.81 -1.99 0.30 114.58 118.07 1p2m h GLU 49 Ca 0.16 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1p2m h GLU 49 Cb 0.30 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1p2m h GLU 49 CO 0.00 0.30 0.49 -0.44 -0.73 0.00 0.00 179.01 178.64 1p2m h ASP 50 N 0.33 0.85 -0.16 1.04 3.32 -1.93 -0.67 116.42 119.20 1p2m h ASP 50 Ca 0.10 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1p2m h ASP 50 Cb 0.04 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1p2m h ASP 50 CO -0.02 0.61 0.08 0.00 -1.72 0.00 0.00 179.24 178.18 1p2m h LEU 52 N 0.13 0.56 -1.26 0.00 3.38 -0.66 0.23 115.31 117.68 1p2m h LEU 52 Ca 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1p2m h LEU 52 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1p2m h LEU 52 CO -0.01 0.69 -0.13 0.03 0.09 0.00 0.00 178.44 179.11 1p2m h ARG 53 N 0.53 0.00 0.00 1.13 3.08 -0.95 -0.25 114.38 117.93 1p2m h ARG 53 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.79 1p2m h ARG 53 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1p2m h ARG 53 CO 0.03 0.13 -2.35 2.41 -1.07 0.00 0.00 179.97 179.12 1p2m n THR 54 N -3.29 1.35 0.03 2.04 -1.04 -0.78 -4.74 114.28 107.86 1p2m n THR 54 Ca 0.00 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 1p2m n THR 54 Cb 0.38 -0.89 -0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1p2m n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1p2m n GLY 56 N 0.83 0.60 1.53 0.00 0.00 -0.10 -1.29 105.19 106.75 1p2m n GLY 56 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1p2m n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p2m n GLY 57 N 2.86 1.31 0.00 -0.02 0.00 -1.26 -4.96 105.19 103.12 1p2m n GLY 57 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1p2m n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32