#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mon n GLU 3 N 0.00 2.83 -4.14 -0.14 1.02 -1.26 -4.88 120.64 114.07 3mon n GLU 3 Ca 0.00 -4.59 -0.19 0.00 -0.02 0.00 0.00 57.16 52.36 3mon n GLU 3 Cb 0.00 -2.34 -0.16 0.00 -0.02 0.00 0.00 31.44 28.92 3mon n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3mon s ILE 4 N -2.20 0.47 -0.20 -3.67 1.01 -1.26 -5.12 121.20 110.24 3mon s ILE 4 Ca 0.34 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 60.80 3mon s ILE 4 Cb 0.06 -0.49 -0.20 0.00 0.01 0.00 0.00 42.46 41.84 3mon s ILE 4 CO -0.03 0.20 0.06 0.29 0.00 0.00 0.00 174.94 175.45 3mon n LYS 5 N 3.86 0.68 -0.67 2.79 5.02 -1.26 -4.81 118.16 123.76 3mon n LYS 5 Ca -0.24 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3mon n LYS 5 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3mon n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mon n GLY 6 N 1.91 1.59 3.54 0.72 0.00 -1.26 -1.31 105.19 110.38 3mon n GLY 6 Ca -0.39 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 3mon n GLY 6 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mon s TYR 7 N -3.92 1.92 -0.08 1.61 2.02 -0.89 -4.84 117.35 113.16 3mon s TYR 7 Ca 0.00 -1.06 -0.08 0.00 -0.37 0.00 0.00 57.07 55.55 3mon s TYR 7 Cb 0.00 -1.33 0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3mon s TYR 7 CO 0.00 -0.04 0.23 -1.21 -1.57 0.00 0.00 175.55 172.97 3mon s GLU 8 N -3.80 0.29 -0.01 -0.62 2.02 -1.26 -3.08 118.70 112.23 3mon s GLU 8 Ca 0.26 0.30 0.06 0.00 0.02 0.00 0.00 54.97 55.61 3mon s GLU 8 Cb 0.05 0.14 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 3mon s GLU 8 CO 0.13 -0.04 -0.19 0.71 0.02 0.00 0.00 175.26 175.90 3mon s TYR 9 N 0.06 1.68 -0.18 1.61 2.02 -0.12 -5.00 117.35 117.41 3mon s TYR 9 Ca -0.01 -0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 56.37 3mon s TYR 9 Cb -0.02 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.52 3mon s TYR 9 CO 0.00 -0.01 -0.06 -0.65 -1.57 0.00 0.00 175.55 173.25 3mon s GLN 10 N -0.53 1.61 0.28 -0.62 -0.21 -1.26 -2.10 119.66 116.83 3mon s GLN 10 Ca 0.07 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.85 3mon s GLN 10 Cb -0.07 -2.18 -0.06 0.00 1.00 0.00 0.00 33.01 31.69 3mon s GLN 10 CO -0.00 -0.45 -0.02 -0.51 -2.12 0.00 0.00 175.29 172.19 3mon s LEU 11 N 1.55 2.36 -0.59 2.90 1.02 0.27 -4.99 118.68 121.20 3mon s LEU 11 Ca -0.00 -1.24 0.01 0.00 0.02 0.00 0.00 54.13 52.92 3mon s LEU 11 Cb -0.16 -0.51 0.15 0.00 0.02 0.00 0.00 46.19 45.69 3mon s LEU 11 CO -0.08 -0.44 0.37 -0.31 0.02 0.00 0.00 176.35 175.91 3mon s TYR 12 N -3.16 3.32 -0.21 0.29 2.02 -1.26 -1.35 117.35 117.01 3mon s TYR 12 Ca 0.31 -3.03 -0.19 0.00 -0.37 0.00 0.00 57.07 53.78 3mon s TYR 12 Cb 0.05 -2.96 -0.03 0.00 -0.40 0.00 0.00 41.96 38.63 3mon s TYR 12 CO 0.12 -0.76 0.55 0.08 -1.57 0.00 0.00 175.55 173.98 3mon s VAL 13 N -0.39 5.07 -0.25 0.71 1.01 0.01 -4.83 120.40 121.73 3mon s VAL 13 Ca 0.18 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3mon s VAL 13 Cb -0.21 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3mon s VAL 13 CO -0.03 0.13 1.31 -0.31 0.00 0.00 0.00 175.10 176.20 3mon s TYR 14 N 1.88 2.69 -0.07 5.22 2.02 -1.26 -0.02 117.35 127.82 3mon s TYR 14 Ca 0.25 0.89 0.01 0.00 -0.37 0.00 0.00 57.07 57.85 3mon s TYR 14 Cb -0.16 -3.79 0.02 0.00 -0.40 0.00 0.00 41.96 37.63 3mon s TYR 14 CO 0.10 -1.80 -0.09 0.00 -1.57 0.00 0.00 175.55 172.19 3mon s ALA 15 N 4.17 1.09 -1.74 3.71 0.00 -0.35 -4.81 121.76 123.83 3mon s ALA 15 Ca 0.57 -0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 3mon s ALA 15 Cb -0.19 -0.60 0.17 0.00 0.00 0.00 0.00 23.12 22.49 3mon s ALA 15 CO 0.21 -0.05 0.67 0.43 0.00 0.00 0.00 175.76 177.02 3mon n SER 16 N 4.16 -2.50 -1.70 0.00 7.64 -1.26 -0.10 113.62 119.87 3mon n SER 16 Ca -0.21 -1.09 -0.16 0.00 1.01 0.00 0.00 58.87 58.42 3mon n SER 16 Cb 0.51 -2.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.32 3mon n SER 16 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3mon n ASP 17 N -2.63 -4.71 -4.19 6.43 9.92 -1.26 -5.02 116.55 115.09 3mon n ASP 17 Ca 0.05 0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 3mon n ASP 17 Cb 0.50 -3.80 -0.14 0.00 -0.64 0.00 0.00 41.12 37.04 3mon n ASP 17 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3mon s LYS 18 N -4.57 1.13 -0.08 -1.24 1.02 0.86 -5.11 119.74 111.74 3mon s LYS 18 Ca 0.00 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 3mon s LYS 18 Cb 0.00 -1.19 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 3mon s LYS 18 CO 0.00 0.30 0.84 -1.17 -0.92 0.00 0.00 175.35 174.39 3mon s LEU 19 N -1.20 4.28 0.19 3.17 2.96 -1.26 -1.22 118.68 125.60 3mon s LEU 19 Ca 0.04 1.33 0.09 0.00 -0.22 0.00 0.00 54.13 55.37 3mon s LEU 19 Cb -0.08 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3mon s LEU 19 CO 0.02 -0.27 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.23 3mon s PHE 20 N 1.37 1.93 -0.24 5.38 0.08 0.97 -2.07 117.98 125.40 3mon s PHE 20 Ca 0.42 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 3mon s PHE 20 Cb -0.18 -0.94 0.02 0.00 -0.57 0.00 0.00 43.02 41.34 3mon s PHE 20 CO 0.19 0.40 -0.05 1.03 -0.10 0.00 0.00 175.22 176.69 3mon s ARG 21 N -2.95 2.99 0.05 0.44 1.81 -0.83 -0.81 118.95 119.65 3mon s ARG 21 Ca 0.19 -0.88 0.05 0.00 -1.72 0.00 0.00 55.73 53.37 3mon s ARG 21 Cb -0.05 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 3mon s ARG 21 CO 0.08 -0.35 -0.06 0.00 -0.68 0.00 0.00 175.30 174.29 3mon s ALA 22 N 1.38 3.06 -0.28 2.13 0.00 -0.45 -2.34 121.76 125.26 3mon s ALA 22 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3mon s ALA 22 Cb -0.16 -1.07 0.08 0.00 0.00 0.00 0.00 23.12 21.97 3mon s ALA 22 CO -0.04 0.64 0.04 -0.51 0.00 0.00 0.00 175.76 175.89 3mon s ASP 23 N -1.86 3.99 -0.23 0.00 1.11 -0.19 -0.57 116.67 118.92 3mon s ASP 23 Ca 0.20 -1.51 -0.06 0.00 0.18 0.00 0.00 52.55 51.36 3mon s ASP 23 Cb -0.11 -1.06 -0.02 0.00 1.07 0.00 0.00 42.92 42.79 3mon s ASP 23 CO 0.12 -0.35 0.03 -0.63 1.18 0.00 0.00 175.17 175.52 3mon s ILE 24 N 1.45 4.02 0.66 0.77 1.01 -0.89 -0.04 121.20 128.18 3mon s ILE 24 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3mon s ILE 24 Cb -0.18 -2.85 0.07 0.00 0.01 0.00 0.00 42.46 39.51 3mon s ILE 24 CO -0.15 0.39 0.93 -0.94 0.00 0.00 0.00 174.94 175.16 3mon s SER 25 N 1.37 4.82 -0.28 3.58 1.04 -1.02 -0.95 113.70 122.26 3mon s SER 25 Ca 0.05 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.36 3mon s SER 25 Cb -0.15 -0.73 0.08 0.00 0.10 0.00 0.00 66.02 65.32 3mon s SER 25 CO 0.02 -1.52 0.71 -0.70 0.98 0.00 0.00 173.24 172.72 3mon s GLU 26 N -5.05 0.74 0.44 4.02 2.12 -1.18 -1.90 118.70 117.90 3mon s GLU 26 Ca 0.61 1.14 -0.21 0.00 0.36 0.00 0.00 54.97 56.87 3mon s GLU 26 Cb -0.09 0.23 -0.10 0.00 0.26 0.00 0.00 34.13 34.43 3mon s GLU 26 CO 0.42 -0.13 0.98 0.34 -0.54 0.00 0.00 175.26 176.33 3mon s ASP 27 N 1.21 6.75 -0.03 -1.70 2.15 -0.80 -2.09 116.67 122.17 3mon s ASP 27 Ca -0.07 1.78 -0.20 0.00 0.43 0.00 0.00 52.55 54.50 3mon s ASP 27 Cb -0.05 -2.55 -0.13 0.00 -0.30 0.00 0.00 42.92 39.89 3mon s ASP 27 CO -0.13 -0.50 0.87 0.22 -0.17 0.00 0.00 175.17 175.47 3mon h TYR 28 N 1.84 -0.45 -0.10 -5.34 3.20 -1.51 -2.76 116.97 111.86 3mon h TYR 28 Ca -0.49 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.28 3mon h TYR 28 Cb 1.19 0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3mon h TYR 28 CO 0.60 -0.14 -0.28 0.87 -1.64 0.00 0.00 178.16 177.56 3mon h LYS 29 N -1.01 0.36 -0.01 1.82 1.57 -1.88 -3.39 116.57 114.03 3mon h LYS 29 Ca -0.05 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3mon h LYS 29 Cb 0.51 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3mon h LYS 29 CO 0.08 0.88 -0.50 0.25 -0.57 0.00 0.00 179.45 179.59 3mon n THR 30 N -4.44 0.00 -1.86 -0.16 -2.24 -1.26 -4.97 114.28 99.35 3mon n THR 30 Ca -0.08 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.36 3mon n THR 30 Cb 0.47 1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.91 3mon n THR 30 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3mon n ARG 31 N -0.11 -1.79 -2.01 -0.78 5.12 -1.04 -4.87 116.66 111.18 3mon n ARG 31 Ca 0.09 0.53 -0.36 0.00 -1.93 0.00 0.00 57.85 56.18 3mon n ARG 31 Cb 0.46 -4.91 -0.03 0.00 -1.16 0.00 0.00 32.46 26.82 3mon n ARG 31 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3mon s GLY 32 N -1.93 0.15 1.05 -0.13 0.00 -1.26 -4.48 107.32 100.73 3mon s GLY 32 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 44.72 43.80 3mon s GLY 32 CO 0.00 3.47 1.22 0.50 0.00 0.00 0.00 173.10 178.30 3mon s ARG 33 N 7.12 -0.03 -0.30 2.90 0.52 -1.26 -1.90 118.95 126.00 3mon s ARG 33 Ca 0.69 -0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 55.59 3mon s ARG 33 Cb -0.12 -1.75 0.18 0.00 0.52 0.00 0.00 34.95 33.78 3mon s ARG 33 CO 0.18 -2.89 0.91 0.21 0.02 0.00 0.00 175.30 173.73 3mon s LYS 34 N -5.65 0.31 0.00 3.54 2.20 -0.80 -4.87 119.74 114.47 3mon s LYS 34 Ca 0.72 0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 3mon s LYS 34 Cb -0.07 0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.51 3mon s LYS 34 CO 0.54 -0.31 1.47 -1.17 -0.36 0.00 0.00 175.35 175.52 3mon s LEU 35 N 2.88 4.32 -0.21 5.43 2.96 -1.26 -2.43 118.68 130.36 3mon s LEU 35 Ca 0.05 2.18 0.08 0.00 -0.22 0.00 0.00 54.13 56.23 3mon s LEU 35 Cb -0.11 -3.56 -0.19 0.00 0.50 0.00 0.00 46.19 42.83 3mon s LEU 35 CO -0.15 -0.78 -0.08 0.18 -1.32 0.00 0.00 176.35 174.20 3mon n LEU 36 N 5.67 1.62 -3.75 -0.68 4.77 0.95 -4.98 117.00 120.59 3mon n LEU 36 Ca 0.14 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3mon n LEU 36 Cb 0.43 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.17 3mon n LEU 36 CO 0.60 0.69 -0.03 -0.13 -1.33 0.00 0.00 177.39 177.18 3mon s ARG 37 N -2.45 0.33 -0.14 3.23 3.00 -1.14 -4.94 118.95 116.83 3mon s ARG 37 Ca -0.21 0.49 -0.04 0.00 0.00 0.00 0.00 55.73 55.97 3mon s ARG 37 Cb 0.07 0.09 0.06 0.00 0.00 0.00 0.00 34.95 35.17 3mon s ARG 37 CO 0.63 -0.08 0.11 0.12 0.00 0.00 0.00 175.30 176.08 3mon s PHE 38 N 0.53 0.07 0.03 -0.53 2.19 -1.25 -1.02 117.98 118.00 3mon s PHE 38 Ca -0.03 -0.06 -0.03 0.00 0.33 0.00 0.00 56.93 57.14 3mon s PHE 38 Cb -0.04 -0.57 -0.02 0.00 -1.31 0.00 0.00 43.02 41.07 3mon s PHE 38 CO -0.03 -0.45 0.02 -0.80 1.83 0.00 0.00 175.22 175.80 3mon s ASN 39 N 2.18 0.27 0.00 6.13 0.02 -0.99 -4.98 114.94 117.57 3mon s ASN 39 Ca 0.03 -0.61 0.00 0.00 -1.02 0.00 0.00 52.86 51.26 3mon s ASN 39 Cb -0.15 0.17 0.00 0.00 0.02 0.00 0.00 41.25 41.29 3mon s ASN 39 CO -0.08 -0.45 0.00 0.61 0.02 0.00 0.00 177.10 177.20 3mon n GLY 40 N 0.95 0.95 3.76 0.66 0.00 -1.26 -1.97 105.19 108.29 3mon n GLY 40 Ca -0.20 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 3mon n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mon s PRO 41 N -1.88 3.63 0.41 1.61 0.04 -1.26 -5.07 135.00 132.48 3mon s PRO 41 Ca 0.00 2.18 0.07 0.00 0.04 0.00 0.00 61.00 63.29 3mon s PRO 41 Cb 0.00 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 3mon s PRO 41 CO 0.00 -0.78 0.26 0.14 0.04 0.00 0.00 177.00 176.66 3mon s VAL 42 N -1.31 2.48 0.56 -0.36 -7.23 -0.88 -5.01 120.40 108.66 3mon s VAL 42 Ca 0.63 -1.56 -0.16 0.00 -1.81 0.00 0.00 61.98 59.08 3mon s VAL 42 Cb -0.38 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.50 3mon s VAL 42 CO 0.48 -0.01 1.03 -2.84 -0.31 0.00 0.00 175.10 173.45 3mon s PRO 43 N -3.99 3.56 0.79 4.82 0.02 -1.26 -4.61 135.00 134.33 3mon s PRO 43 Ca 0.44 1.14 -0.11 0.00 0.02 0.00 0.00 61.00 62.49 3mon s PRO 43 Cb 0.01 -2.07 0.07 0.00 0.02 0.00 0.00 34.50 32.53 3mon s PRO 43 CO 0.25 -0.61 1.10 -1.25 -0.33 0.00 0.00 177.00 176.16 3mon s PRO 44 N -4.00 2.08 0.00 5.54 0.04 -1.26 -5.07 135.00 132.34 3mon s PRO 44 Ca 0.62 1.17 0.27 0.00 0.04 0.00 0.00 61.00 63.11 3mon s PRO 44 Cb -0.14 -1.88 0.80 0.00 0.04 0.00 0.00 34.50 33.32 3mon s PRO 44 CO 0.34 -1.77 1.60 -0.35 0.04 0.00 0.00 177.00 176.86