#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mon s GLU 3 N 0.00 1.78 -0.86 2.89 2.12 -1.26 -4.99 118.70 118.37 3mon s GLU 3 Ca 0.00 -1.15 -0.19 0.00 0.36 0.00 0.00 54.97 53.99 3mon s GLU 3 Cb 0.00 -2.04 -0.13 0.00 0.26 0.00 0.00 34.13 32.22 3mon s GLU 3 CO 0.00 0.50 1.98 0.44 -0.54 0.00 0.00 175.26 177.64 3mon n ILE 4 N 1.33 2.07 0.00 -3.70 -5.35 -1.26 -3.89 119.36 108.56 3mon n ILE 4 Ca -0.17 -1.73 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 3mon n ILE 4 Cb 0.52 -2.33 0.00 0.00 -1.74 0.00 0.00 39.64 36.09 3mon n ILE 4 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3mon n LYS 5 N 6.58 0.00 0.00 6.28 4.01 -1.26 -5.11 118.16 128.66 3mon n LYS 5 Ca 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 3mon n LYS 5 Cb 0.37 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.89 3mon n LYS 5 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mon n GLY 6 N 0.00 -0.70 3.45 0.72 0.00 -1.25 -2.35 105.19 105.06 3mon n GLY 6 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.00 1.28 -0.23 1.61 2.02 0.15 -4.82 117.35 113.37 3mon s TYR 7 Ca 0.00 -1.43 -0.17 0.00 -0.37 0.00 0.00 57.07 55.10 3mon s TYR 7 Cb 0.00 -0.22 0.06 0.00 -0.40 0.00 0.00 41.96 41.40 3mon s TYR 7 CO 0.00 -1.12 0.58 -2.00 -1.57 0.00 0.00 175.55 171.44 3mon s GLU 8 N -2.98 0.64 0.07 -0.62 2.12 -1.26 -2.88 118.70 113.79 3mon s GLU 8 Ca 0.33 0.91 0.09 0.00 0.36 0.00 0.00 54.97 56.66 3mon s GLU 8 Cb -0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 3mon s GLU 8 CO 0.24 -0.11 -0.24 0.71 -0.54 0.00 0.00 175.26 175.31 3mon s TYR 9 N 0.82 2.09 0.00 5.30 1.51 -0.86 -4.96 117.35 121.25 3mon s TYR 9 Ca -0.04 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3mon s TYR 9 Cb -0.05 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 3mon s TYR 9 CO -0.07 0.18 -0.14 -0.65 -1.11 0.00 0.00 175.55 173.76 3mon s GLN 10 N -1.50 2.32 0.05 -0.62 -0.21 -1.26 -1.99 119.66 116.46 3mon s GLN 10 Ca 0.10 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.67 3mon s GLN 10 Cb -0.10 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 3mon s GLN 10 CO 0.03 0.58 -0.06 -0.51 -2.12 0.00 0.00 175.29 173.22 3mon s LEU 11 N -1.18 2.36 -0.40 2.90 1.02 0.23 -4.95 118.68 118.66 3mon s LEU 11 Ca 0.14 -0.74 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 3mon s LEU 11 Cb -0.11 -0.02 0.09 0.00 0.02 0.00 0.00 46.19 46.17 3mon s LEU 11 CO 0.04 -0.36 0.19 -0.31 0.02 0.00 0.00 176.35 175.93 3mon s TYR 12 N -2.43 3.45 -0.12 0.29 1.51 -1.26 -1.47 117.35 117.32 3mon s TYR 12 Ca -0.03 -2.02 -0.04 0.00 -1.01 0.00 0.00 57.07 53.98 3mon s TYR 12 Cb -0.03 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.82 3mon s TYR 12 CO -0.03 -0.91 0.03 0.08 -1.11 0.00 0.00 175.55 173.61 3mon s VAL 13 N 1.26 4.52 -0.23 0.71 1.01 -0.42 -4.89 120.40 122.36 3mon s VAL 13 Ca 0.04 -0.15 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3mon s VAL 13 Cb -0.23 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3mon s VAL 13 CO -0.02 0.56 0.38 -0.31 0.00 0.00 0.00 175.10 175.71 3mon s TYR 14 N -0.44 3.32 -0.03 5.22 2.02 -1.26 -0.82 117.35 125.36 3mon s TYR 14 Ca 0.09 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.29 3mon s TYR 14 Cb -0.12 -2.54 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 3mon s TYR 14 CO 0.02 -0.10 0.05 0.00 -1.57 0.00 0.00 175.55 173.95 3mon s ALA 15 N 1.64 0.13 -1.35 3.71 0.00 -0.80 -4.87 121.76 120.22 3mon s ALA 15 Ca 0.17 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 3mon s ALA 15 Cb -0.15 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3mon s ALA 15 CO 0.08 -0.30 0.81 0.43 0.00 0.00 0.00 175.76 176.79 3mon n SER 16 N 4.74 -2.31 -3.30 0.00 7.64 -1.26 -2.04 113.62 117.09 3mon n SER 16 Ca -0.16 -0.78 -0.24 0.00 1.01 0.00 0.00 58.87 58.71 3mon n SER 16 Cb 0.50 -4.17 0.02 0.00 -1.01 0.00 0.00 64.21 59.55 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 -3.01 -4.86 -4.13 6.43 8.00 -1.26 -4.99 116.55 112.72 3mon n ASP 17 Ca -0.21 -0.40 -0.12 0.00 0.71 0.00 0.00 54.79 54.77 3mon n ASP 17 Cb 0.64 -3.95 -0.11 0.00 -0.02 0.00 0.00 41.12 37.68 3mon n ASP 17 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mon s LYS 18 N -5.97 0.72 -0.13 -1.24 1.02 -0.86 -5.15 119.74 108.13 3mon s LYS 18 Ca 0.40 -1.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 3mon s LYS 18 Cb -0.20 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 3mon s LYS 18 CO 0.49 0.03 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.70 3mon s LEU 19 N -2.34 3.03 0.12 3.17 2.96 -1.26 -1.89 118.68 122.47 3mon s LEU 19 Ca 0.02 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3mon s LEU 19 Cb -0.02 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3mon s LEU 19 CO -0.02 0.20 -0.10 -0.36 -1.32 0.00 0.00 176.35 174.75 3mon s PHE 20 N 0.14 1.17 -0.21 5.38 0.08 0.00 -0.80 117.98 123.74 3mon s PHE 20 Ca -0.04 -0.70 -0.07 0.00 0.12 0.00 0.00 56.93 56.24 3mon s PHE 20 Cb -0.14 -0.62 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 3mon s PHE 20 CO 0.04 0.04 0.06 1.03 -0.10 0.00 0.00 175.22 176.28 3mon s ARG 21 N -3.22 3.78 -0.07 0.44 1.81 0.66 -1.30 118.95 121.06 3mon s ARG 21 Ca 0.11 -0.43 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 3mon s ARG 21 Cb -0.00 -3.24 0.02 0.00 -0.45 0.00 0.00 34.95 31.28 3mon s ARG 21 CO 0.00 0.03 -0.06 0.00 -0.68 0.00 0.00 175.30 174.59 3mon s ALA 22 N 1.01 0.96 -0.26 2.13 0.00 -0.54 -2.24 121.76 122.82 3mon s ALA 22 Ca 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 3mon s ALA 22 Cb -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.38 3mon s ALA 22 CO 0.03 -0.13 0.01 -0.51 0.00 0.00 0.00 175.76 175.16 3mon s ASP 23 N 1.17 4.72 0.10 0.00 1.01 -1.03 0.74 116.67 123.39 3mon s ASP 23 Ca -0.06 -0.64 0.06 0.00 0.71 0.00 0.00 52.55 52.62 3mon s ASP 23 Cb -0.14 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 41.96 3mon s ASP 23 CO -0.01 -0.12 -0.07 -0.63 0.21 0.00 0.00 175.17 174.54 3mon s ILE 24 N 1.46 3.56 0.40 0.77 1.01 -0.84 -2.06 121.20 125.49 3mon s ILE 24 Ca 0.03 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.58 3mon s ILE 24 Cb -0.16 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 3mon s ILE 24 CO -0.01 0.12 0.28 -0.94 0.00 0.00 0.00 174.94 174.40 3mon s SER 25 N -2.21 4.84 -0.29 3.58 1.04 -0.58 -2.03 113.70 118.04 3mon s SER 25 Ca 0.22 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.89 3mon s SER 25 Cb -0.11 -0.60 0.20 0.00 0.10 0.00 0.00 66.02 65.60 3mon s SER 25 CO 0.15 -0.54 0.57 -0.70 0.98 0.00 0.00 173.24 173.70 3mon s GLU 26 N -4.01 0.55 0.15 4.02 2.12 -1.14 -2.64 118.70 117.75 3mon s GLU 26 Ca 0.44 0.48 -0.31 0.00 0.36 0.00 0.00 54.97 55.94 3mon s GLU 26 Cb -0.01 0.19 -0.09 0.00 0.26 0.00 0.00 34.13 34.48 3mon s GLU 26 CO 0.25 -1.05 1.40 0.34 -0.54 0.00 0.00 175.26 175.66 3mon s ASP 27 N 2.77 6.80 0.17 -1.70 -1.08 -1.05 -0.67 116.67 121.90 3mon s ASP 27 Ca 0.10 2.40 -0.14 0.00 -0.52 0.00 0.00 52.55 54.39 3mon s ASP 27 Cb -0.10 -2.60 0.08 0.00 -1.46 0.00 0.00 42.92 38.84 3mon s ASP 27 CO -0.26 -0.65 1.80 0.22 0.52 0.00 0.00 175.17 176.81 3mon h TYR 28 N 6.35 0.51 0.11 -5.34 3.20 -1.78 -0.85 116.97 119.17 3mon h TYR 28 Ca -0.43 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 3mon h TYR 28 Cb 1.21 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3mon h TYR 28 CO 0.64 0.29 -0.06 0.87 -1.64 0.00 0.00 178.16 178.27 3mon h LYS 29 N 0.54 -0.15 0.00 1.82 1.57 -1.92 -3.39 116.57 115.05 3mon h LYS 29 Ca 0.19 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3mon h LYS 29 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3mon h LYS 29 CO -0.09 0.32 -0.54 1.79 -0.57 0.00 0.00 179.45 180.36 3mon h THR 30 N -0.90 0.26 -1.24 -0.16 1.35 -1.97 -3.46 112.91 106.80 3mon h THR 30 Ca -0.02 -1.41 -0.16 0.00 -0.55 0.00 0.00 66.41 64.28 3mon h THR 30 Cb 0.54 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3mon h THR 30 CO 0.03 0.15 -0.20 0.54 -0.25 0.00 0.00 175.52 175.78 3mon n ARG 31 N -3.00 -0.79 -2.31 4.72 5.12 -0.33 -4.99 116.66 115.08 3mon n ARG 31 Ca 0.01 0.37 -0.37 0.00 -1.93 0.00 0.00 57.85 55.93 3mon n ARG 31 Cb 0.62 -4.28 -0.03 0.00 -1.16 0.00 0.00 32.46 27.61 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 -2.68 0.64 0.24 -0.13 0.00 -1.24 -4.73 107.32 99.42 3mon s GLY 32 Ca 0.02 -1.45 -0.24 0.00 0.00 0.00 0.00 44.72 43.05 3mon s GLY 32 CO 0.02 3.05 0.82 0.50 0.00 0.00 0.00 173.10 177.49 3mon s ARG 33 N 6.18 4.48 -0.06 2.90 0.52 -1.26 -2.53 118.95 129.18 3mon s ARG 33 Ca 0.54 1.13 -0.00 0.00 -0.52 0.00 0.00 55.73 56.88 3mon s ARG 33 Cb -0.07 -2.97 0.03 0.00 0.52 0.00 0.00 34.95 32.45 3mon s ARG 33 CO 0.06 0.41 -0.02 0.21 0.02 0.00 0.00 175.30 175.98 3mon s LYS 34 N -1.75 0.68 0.14 3.54 2.20 -1.08 -4.98 119.74 118.49 3mon s LYS 34 Ca 0.43 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 3mon s LYS 34 Cb -0.19 -0.88 -0.08 0.00 -1.51 0.00 0.00 37.83 35.17 3mon s LYS 34 CO 0.24 -0.20 1.26 -1.17 -0.36 0.00 0.00 175.35 175.13 3mon s LEU 35 N 1.45 4.41 -0.18 5.43 2.96 -1.26 -1.53 118.68 129.95 3mon s LEU 35 Ca -0.03 2.24 -0.12 0.00 -0.22 0.00 0.00 54.13 56.00 3mon s LEU 35 Cb -0.13 -3.60 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 3mon s LEU 35 CO -0.03 -0.49 -0.28 0.18 -1.32 0.00 0.00 176.35 174.41 3mon n LEU 36 N 3.18 1.60 -3.81 -0.68 4.77 -0.88 -4.95 117.00 116.24 3mon n LEU 36 Ca 0.07 0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 56.20 3mon n LEU 36 Cb 0.44 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.76 3mon n LEU 36 CO 0.57 0.18 -0.19 -0.13 -1.33 0.00 0.00 177.39 176.48 3mon s ARG 37 N -2.50 0.17 -0.05 3.23 0.52 -1.22 -5.00 118.95 114.11 3mon s ARG 37 Ca -0.28 0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.15 3mon s ARG 37 Cb 0.09 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.65 3mon s ARG 37 CO 0.37 -0.04 0.09 0.12 0.02 0.00 0.00 175.30 175.85 3mon s PHE 38 N 0.22 -0.04 -0.06 -0.53 2.19 -1.26 -2.45 117.98 116.05 3mon s PHE 38 Ca -0.01 0.34 -0.11 0.00 0.33 0.00 0.00 56.93 57.48 3mon s PHE 38 Cb -0.02 -0.29 0.02 0.00 -1.31 0.00 0.00 43.02 41.42 3mon s PHE 38 CO -0.01 -0.17 0.27 -0.80 1.83 0.00 0.00 175.22 176.34 3mon s ASN 39 N 1.70 -0.21 0.00 6.13 0.02 -0.95 -5.01 114.94 116.62 3mon s ASN 39 Ca -0.02 0.29 0.00 0.00 -1.02 0.00 0.00 52.86 52.11 3mon s ASN 39 Cb -0.12 0.43 0.00 0.00 0.02 0.00 0.00 41.25 41.58 3mon s ASN 39 CO -0.04 -0.26 0.00 0.61 0.02 0.00 0.00 177.10 177.43 3mon n GLY 40 N 2.14 -0.40 3.81 0.66 0.00 -1.26 -0.25 105.19 109.90 3mon n GLY 40 Ca -0.17 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 3mon n GLY 40 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3mon s PRO 41 N -2.00 3.03 0.38 1.61 0.02 -1.26 -5.05 135.00 131.72 3mon s PRO 41 Ca 0.00 1.07 0.08 0.00 0.02 0.00 0.00 61.00 62.17 3mon s PRO 41 Cb 0.00 -2.00 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 3mon s PRO 41 CO 0.00 -1.03 -0.01 0.14 -0.33 0.00 0.00 177.00 175.77 3mon s VAL 42 N -2.80 2.18 0.35 3.83 -7.23 0.02 -4.99 120.40 111.75 3mon s VAL 42 Ca 0.60 -2.04 -0.25 0.00 -1.81 0.00 0.00 61.98 58.49 3mon s VAL 42 Cb -0.15 -2.86 -0.10 0.00 0.56 0.00 0.00 36.38 33.83 3mon s VAL 42 CO 0.48 -0.09 0.94 -2.84 -0.31 0.00 0.00 175.10 173.28 3mon s PRO 43 N -3.69 4.48 0.58 4.82 0.02 -1.26 -4.63 135.00 135.31 3mon s PRO 43 Ca 0.35 1.26 -0.19 0.00 0.02 0.00 0.00 61.00 62.43 3mon s PRO 43 Cb 0.06 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.90 3mon s PRO 43 CO 0.18 0.20 1.20 -1.25 -0.33 0.00 0.00 177.00 177.00 3mon s PRO 44 N -2.35 3.08 0.00 5.54 0.04 -1.26 -5.08 135.00 134.98 3mon s PRO 44 Ca 0.53 1.81 0.28 0.00 0.04 0.00 0.00 61.00 63.66 3mon s PRO 44 Cb -0.16 -1.98 1.01 0.00 0.04 0.00 0.00 34.50 33.41 3mon s PRO 44 CO 0.21 -1.11 1.72 -0.35 0.04 0.00 0.00 177.00 177.51