#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 0.02 -3.56 5.56 0.00 -1.26 -4.78 120.64 116.62 3mon n GLU 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 3mon n GLU 3 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 31.44 30.50 3mon n GLU 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3mon s ILE 4 N -1.78 5.07 -0.09 3.84 -1.09 -1.26 -5.03 121.20 120.85 3mon s ILE 4 Ca 0.00 0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.71 3mon s ILE 4 Cb 0.00 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.16 3mon s ILE 4 CO 0.00 0.02 -0.01 0.29 -1.23 0.00 0.00 174.94 174.00 3mon n LYS 5 N 0.07 1.78 -3.07 2.79 5.02 -1.26 -4.92 118.16 118.57 3mon n LYS 5 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3mon n LYS 5 Cb 0.52 -1.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.32 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 2.64 0.58 3.16 0.72 0.00 -1.26 -1.99 105.19 109.05 3mon n GLY 6 Ca -0.16 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.93 0.90 -0.00 1.61 1.51 -0.70 -4.86 117.35 112.87 3mon s TYR 7 Ca 0.17 -1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 55.08 3mon s TYR 7 Cb -0.01 -0.52 -0.00 0.00 -0.11 0.00 0.00 41.96 41.31 3mon s TYR 7 CO 0.01 -0.38 0.04 -2.00 -1.11 0.00 0.00 175.55 172.11 3mon s GLU 8 N -3.97 0.22 -0.16 -0.62 2.12 -1.26 -2.03 118.70 113.00 3mon s GLU 8 Ca 0.20 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3mon s GLU 8 Cb 0.07 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.57 3mon s GLU 8 CO -0.00 -0.04 -0.20 0.71 -0.54 0.00 0.00 175.26 175.18 3mon s TYR 9 N -0.72 2.67 -0.41 5.30 2.02 -0.81 -4.94 117.35 120.46 3mon s TYR 9 Ca -0.08 -1.49 -0.18 0.00 -0.37 0.00 0.00 57.07 54.95 3mon s TYR 9 Cb -0.05 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3mon s TYR 9 CO -0.00 -0.72 0.48 -0.65 -1.57 0.00 0.00 175.55 173.09 3mon s GLN 10 N 1.12 3.24 0.09 -0.62 -0.21 -1.26 -1.89 119.66 120.13 3mon s GLN 10 Ca 0.00 -0.58 0.06 0.00 0.02 0.00 0.00 55.36 54.87 3mon s GLN 10 Cb -0.14 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 3mon s GLN 10 CO -0.09 -0.83 -0.07 -0.51 -2.12 0.00 0.00 175.29 171.67 3mon s LEU 11 N 2.30 3.16 -0.42 2.90 1.02 0.35 -4.99 118.68 122.99 3mon s LEU 11 Ca 0.15 -0.31 -0.10 0.00 0.02 0.00 0.00 54.13 53.88 3mon s LEU 11 Cb -0.16 -1.93 0.07 0.00 0.02 0.00 0.00 46.19 44.19 3mon s LEU 11 CO 0.14 0.19 0.27 -0.31 0.02 0.00 0.00 176.35 176.66 3mon s TYR 12 N -1.22 3.31 -0.22 0.29 1.51 -1.26 -0.92 117.35 118.82 3mon s TYR 12 Ca 0.22 -1.34 -0.15 0.00 -1.01 0.00 0.00 57.07 54.79 3mon s TYR 12 Cb -0.11 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 3mon s TYR 12 CO 0.14 -0.80 0.37 0.08 -1.11 0.00 0.00 175.55 174.23 3mon s VAL 13 N 1.48 5.20 -0.08 0.71 1.01 -1.19 -4.88 120.40 122.65 3mon s VAL 13 Ca 0.03 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.34 3mon s VAL 13 Cb -0.22 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3mon s VAL 13 CO 0.04 0.23 0.97 -0.31 0.00 0.00 0.00 175.10 176.03 3mon s TYR 14 N 1.52 3.55 -0.09 5.22 2.02 -1.26 -0.77 117.35 127.54 3mon s TYR 14 Ca 0.17 1.59 -0.07 0.00 -0.37 0.00 0.00 57.07 58.38 3mon s TYR 14 Cb -0.15 -3.14 0.03 0.00 -0.40 0.00 0.00 41.96 38.30 3mon s TYR 14 CO 0.08 -0.15 0.23 0.00 -1.57 0.00 0.00 175.55 174.14 3mon s ALA 15 N 1.68 -0.56 -1.59 3.71 0.00 -1.07 -4.88 121.76 119.05 3mon s ALA 15 Ca 0.48 0.69 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3mon s ALA 15 Cb -0.19 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.60 3mon s ALA 15 CO 0.20 -0.12 0.45 0.43 0.00 0.00 0.00 175.76 176.73 3mon n SER 16 N 3.14 -1.11 -3.88 0.00 7.64 -1.26 -1.32 113.62 116.82 3mon n SER 16 Ca -0.15 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.33 3mon n SER 16 Cb 0.58 -2.43 0.02 0.00 -1.01 0.00 0.00 64.21 61.37 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 -2.80 -4.78 -3.88 6.43 9.92 -1.26 -4.99 116.55 115.19 3mon n ASP 17 Ca -0.14 -0.76 -0.12 0.00 -0.53 0.00 0.00 54.79 53.24 3mon n ASP 17 Cb 0.60 -3.82 -0.13 0.00 -0.64 0.00 0.00 41.12 37.13 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 -6.59 0.06 -0.26 -1.24 1.02 -0.44 -5.13 119.74 107.16 3mon s LYS 18 Ca 0.66 -0.08 -0.25 0.00 0.02 0.00 0.00 55.97 56.31 3mon s LYS 18 Cb -0.33 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 3mon s LYS 18 CO 0.81 -0.01 0.87 -1.17 -0.92 0.00 0.00 175.35 174.93 3mon s LEU 19 N -0.22 4.07 0.00 3.17 2.96 -1.26 -2.61 118.68 124.79 3mon s LEU 19 Ca -0.02 1.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 3mon s LEU 19 Cb -0.02 -3.24 0.03 0.00 0.50 0.00 0.00 46.19 43.46 3mon s LEU 19 CO -0.00 -0.59 0.21 0.49 -1.32 0.00 0.00 176.35 175.14 3mon n PHE 20 N 6.17 -1.78 -3.68 5.38 3.01 0.05 -0.06 117.46 126.55 3mon n PHE 20 Ca 0.07 -0.84 -0.19 0.00 1.01 0.00 0.00 57.45 57.49 3mon n PHE 20 Cb 0.47 -0.18 -0.18 0.00 -0.01 0.00 0.00 39.48 39.58 3mon n PHE 20 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3mon s ARG 21 N -2.90 -0.07 0.04 -1.08 1.81 -1.09 -3.20 118.95 112.47 3mon s ARG 21 Ca 0.16 0.36 0.08 0.00 -1.72 0.00 0.00 55.73 54.62 3mon s ARG 21 Cb -0.01 -0.46 -0.03 0.00 -0.45 0.00 0.00 34.95 34.00 3mon s ARG 21 CO 0.10 -0.31 -0.24 0.00 -0.68 0.00 0.00 175.30 174.18 3mon s ALA 22 N 2.02 2.03 -0.15 2.13 0.00 -0.10 -2.26 121.76 125.43 3mon s ALA 22 Ca 0.03 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3mon s ALA 22 Cb -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3mon s ALA 22 CO -0.03 0.47 -0.19 -0.51 0.00 0.00 0.00 175.76 175.50 3mon s ASP 23 N -1.22 2.95 0.02 0.00 1.11 -1.10 -0.50 116.67 117.93 3mon s ASP 23 Ca 0.10 -0.58 0.05 0.00 0.18 0.00 0.00 52.55 52.30 3mon s ASP 23 Cb -0.09 -1.36 -0.03 0.00 1.07 0.00 0.00 42.92 42.50 3mon s ASP 23 CO 0.02 0.01 -0.12 -0.63 1.18 0.00 0.00 175.17 175.63 3mon s ILE 24 N 1.17 3.23 0.34 0.77 1.01 -0.79 -1.50 121.20 125.43 3mon s ILE 24 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3mon s ILE 24 Cb -0.14 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3mon s ILE 24 CO -0.08 0.38 0.35 -0.94 0.00 0.00 0.00 174.94 174.65 3mon s SER 25 N -1.39 5.50 -0.30 3.58 1.04 -0.90 -1.93 113.70 119.31 3mon s SER 25 Ca 0.16 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 56.12 3mon s SER 25 Cb -0.11 -1.05 0.18 0.00 0.10 0.00 0.00 66.02 65.14 3mon s SER 25 CO 0.06 -0.39 0.77 -0.70 0.98 0.00 0.00 173.24 173.96 3mon s GLU 26 N -4.06 0.44 0.31 4.02 2.12 -0.86 -2.94 118.70 117.73 3mon s GLU 26 Ca 0.42 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 56.33 3mon s GLU 26 Cb -0.07 0.49 -0.10 0.00 0.26 0.00 0.00 34.13 34.72 3mon s GLU 26 CO 0.28 -0.40 1.15 0.34 -0.54 0.00 0.00 175.26 176.09 3mon s ASP 27 N 2.84 7.06 0.07 -1.70 -1.08 -0.02 -1.72 116.67 122.13 3mon s ASP 27 Ca 0.09 2.37 -0.17 0.00 -0.52 0.00 0.00 52.55 54.32 3mon s ASP 27 Cb -0.12 -2.63 -0.13 0.00 -1.46 0.00 0.00 42.92 38.58 3mon s ASP 27 CO -0.18 -0.30 1.34 0.22 0.52 0.00 0.00 175.17 176.78 3mon h TYR 28 N 3.56 0.68 0.20 -5.34 3.20 -1.73 -2.05 116.97 115.48 3mon h TYR 28 Ca -0.47 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.16 3mon h TYR 28 Cb 1.22 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3mon h TYR 28 CO 0.58 0.95 -0.09 0.87 -1.64 0.00 0.00 178.16 178.82 3mon h LYS 29 N 0.21 -0.26 0.00 1.82 1.57 -1.92 -3.39 116.57 114.61 3mon h LYS 29 Ca 0.02 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.62 3mon h LYS 29 Cb 0.88 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 3mon h LYS 29 CO 0.07 -0.17 -0.91 1.79 -0.57 0.00 0.00 179.45 179.65 3mon h THR 30 N -0.37 1.59 0.00 -0.16 1.35 -1.95 -3.47 112.91 109.90 3mon h THR 30 Ca -0.03 -3.20 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 3mon h THR 30 Cb 0.20 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3mon h THR 30 CO 0.04 0.90 0.00 0.54 -0.25 0.00 0.00 175.52 176.75 3mon n ARG 31 N -3.36 0.00 -2.32 4.72 1.74 -0.77 -5.05 116.66 111.63 3mon n ARG 31 Ca 0.00 0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.93 3mon n ARG 31 Cb 0.90 -3.46 -0.03 0.00 -1.02 0.00 0.00 32.46 28.85 3mon n ARG 31 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3mon s GLY 32 N -2.51 2.94 -0.02 -0.13 0.00 -1.26 -4.67 107.32 101.68 3mon s GLY 32 Ca 0.00 1.05 0.08 0.00 0.00 0.00 0.00 44.72 45.85 3mon s GLY 32 CO 0.00 1.74 -0.25 0.50 0.00 0.00 0.00 173.10 175.08 3mon s ARG 33 N -1.29 2.05 -0.03 2.90 0.52 -1.26 -0.84 118.95 121.00 3mon s ARG 33 Ca 0.48 -0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3mon s ARG 33 Cb -0.35 -1.99 0.03 0.00 0.52 0.00 0.00 34.95 33.16 3mon s ARG 33 CO 0.44 0.54 0.02 0.21 0.02 0.00 0.00 175.30 176.54 3mon s LYS 34 N -0.62 0.16 -0.25 3.54 2.20 -1.15 -4.96 119.74 118.66 3mon s LYS 34 Ca 0.10 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 3mon s LYS 34 Cb -0.10 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.72 3mon s LYS 34 CO -0.01 -0.21 1.55 -1.17 -0.36 0.00 0.00 175.35 175.16 3mon s LEU 35 N 1.40 3.87 -0.07 5.43 2.96 -1.26 -2.11 118.68 128.89 3mon s LEU 35 Ca -0.05 1.50 -0.07 0.00 -0.22 0.00 0.00 54.13 55.29 3mon s LEU 35 Cb -0.13 -3.53 -0.28 0.00 0.50 0.00 0.00 46.19 42.74 3mon s LEU 35 CO -0.03 -1.24 0.58 -0.07 -1.32 0.00 0.00 176.35 174.27 3mon h LEU 36 N 11.61 0.49 -7.12 -0.68 3.38 -1.62 -3.49 115.31 117.88 3mon h LEU 36 Ca -0.32 -0.85 -0.06 0.00 0.09 0.00 0.00 57.88 56.74 3mon h LEU 36 Cb 1.14 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 3mon h LEU 36 CO 1.01 1.74 -0.06 -0.13 0.09 0.00 0.00 178.44 181.09 3mon s ARG 37 N -2.58 0.65 -0.31 1.13 0.52 -1.22 -4.97 118.95 112.17 3mon s ARG 37 Ca -0.17 0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 3mon s ARG 37 Cb 0.06 0.25 0.11 0.00 0.52 0.00 0.00 34.95 35.89 3mon s ARG 37 CO 0.82 -0.10 0.13 0.12 0.02 0.00 0.00 175.30 176.29 3mon s PHE 38 N 0.70 0.99 0.49 -0.53 2.19 -1.26 -2.70 117.98 117.86 3mon s PHE 38 Ca -0.03 -1.38 0.03 0.00 0.33 0.00 0.00 56.93 55.89 3mon s PHE 38 Cb -0.05 -1.27 -0.03 0.00 -1.31 0.00 0.00 43.02 40.36 3mon s PHE 38 CO -0.05 -0.85 0.05 -0.80 1.83 0.00 0.00 175.22 175.40 3mon s ASN 39 N 1.71 4.13 0.00 6.13 0.02 -0.96 -4.96 114.94 121.01 3mon s ASN 39 Ca 0.11 -1.53 0.00 0.00 -1.02 0.00 0.00 52.86 50.42 3mon s ASN 39 Cb -0.18 0.25 0.00 0.00 0.02 0.00 0.00 41.25 41.35 3mon s ASN 39 CO -0.26 -0.77 0.00 0.61 0.02 0.00 0.00 177.10 176.70 3mon n GLY 40 N -1.24 0.71 3.74 0.66 0.00 -1.26 -2.66 105.19 105.15 3mon n GLY 40 Ca -0.14 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.94 2.96 0.23 1.61 0.04 -1.26 -5.06 135.00 132.59 3mon s PRO 41 Ca 0.00 2.14 0.11 0.00 0.04 0.00 0.00 61.00 63.29 3mon s PRO 41 Cb 0.00 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3mon s PRO 41 CO 0.00 -1.30 -0.21 0.14 0.04 0.00 0.00 177.00 175.68 3mon s VAL 42 N -1.36 2.30 0.38 -0.36 -7.23 0.92 -4.99 120.40 110.05 3mon s VAL 42 Ca 0.75 -2.22 -0.26 0.00 -1.81 0.00 0.00 61.98 58.44 3mon s VAL 42 Cb -0.39 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.29 3mon s VAL 42 CO 0.44 -0.32 1.19 -2.16 -0.31 0.00 0.00 175.10 173.94 3mon s PRO 43 N -3.19 4.16 0.68 4.82 0.04 -1.26 -4.49 135.00 135.76 3mon s PRO 43 Ca 0.25 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 3mon s PRO 43 Cb -0.06 -2.80 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3mon s PRO 43 CO 0.12 -0.25 1.18 -1.25 0.04 0.00 0.00 177.00 176.84 3mon s PRO 44 N -2.12 2.50 0.00 0.56 0.04 -1.26 -5.08 135.00 129.64 3mon s PRO 44 Ca 0.54 1.68 0.29 0.00 0.04 0.00 0.00 61.00 63.56 3mon s PRO 44 Cb -0.33 -1.89 1.28 0.00 0.04 0.00 0.00 34.50 33.61 3mon s PRO 44 CO 0.42 -1.54 1.88 -0.35 0.04 0.00 0.00 177.00 177.45