#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flg s ILE 2 N 0.00 3.32 -0.44 2.41 2.07 -1.26 -5.08 121.20 122.23 2flg s ILE 2 Ca 0.00 -0.58 -0.26 0.00 -1.41 0.00 0.00 60.65 58.40 2flg s ILE 2 Cb 0.00 -2.39 0.02 0.00 0.13 0.00 0.00 42.46 40.22 2flg s ILE 2 CO 0.00 0.54 0.95 -0.55 -1.91 0.00 0.00 174.94 173.97 2flg s SER 3 N 0.04 6.57 -0.11 4.50 0.15 -1.26 -5.03 113.70 118.56 2flg s SER 3 Ca -0.03 0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.78 2flg s SER 3 Cb -0.14 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2flg s SER 3 CO 0.04 -1.02 0.28 -1.58 1.20 0.00 0.00 173.24 172.16 2flg s GLN 4 N 3.76 3.99 1.07 5.44 2.00 -1.26 -5.07 119.66 129.59 2flg s GLN 4 Ca 0.39 0.11 -0.17 0.00 -2.00 0.00 0.00 55.36 53.68 2flg s GLN 4 Cb -0.10 -3.32 0.08 0.00 0.80 0.00 0.00 33.01 30.47 2flg s GLN 4 CO 0.25 0.47 0.11 -2.39 -0.50 0.00 0.00 175.29 173.23 2flg n HIS 5 N 2.80 -1.46 -3.69 1.67 1.44 -1.26 -5.04 115.22 109.68 2flg n HIS 5 Ca -0.14 0.17 -0.06 0.00 -2.01 0.00 0.00 57.72 55.67 2flg n HIS 5 Cb 0.53 -1.62 -0.01 0.00 0.12 0.00 0.00 29.99 29.00 2flg n HIS 5 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2flg n GLN 6 N -1.91 0.40 -3.15 -1.40 6.02 -1.26 -4.59 117.38 111.49 2flg n GLN 6 Ca 0.02 -1.28 -0.39 0.00 -0.01 0.00 0.00 57.00 55.34 2flg n GLN 6 Cb 0.60 1.32 -0.06 0.00 1.02 0.00 0.00 30.24 33.12 2flg n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2flg n VAL 8 N 4.29 0.00 -2.31 0.00 0.24 -1.26 -4.73 118.33 114.56 2flg n VAL 8 Ca -0.03 -0.42 0.01 0.00 -2.04 0.00 0.00 64.34 61.87 2flg n VAL 8 Cb 0.50 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 2flg n VAL 8 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2flg n LYS 9 N -0.47 0.00 -4.01 7.34 4.76 -1.26 -5.10 118.16 119.43 2flg n LYS 9 Ca 0.00 -1.57 -0.11 0.00 -2.87 0.00 0.00 58.31 53.76 2flg n LYS 9 Cb 0.02 -0.01 -0.11 0.00 -1.84 0.00 0.00 35.03 33.09 2flg n LYS 9 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2flg s LYS 10 N 0.00 0.36 -0.18 1.97 2.47 -1.26 -5.14 119.74 117.96 2flg s LYS 10 Ca 0.21 -0.60 -0.13 0.00 -1.56 0.00 0.00 55.97 53.89 2flg s LYS 10 Cb 0.24 -0.04 -0.05 0.00 -1.46 0.00 0.00 37.83 36.52 2flg s LYS 10 CO -0.11 -0.01 0.25 1.14 0.16 0.00 0.00 175.35 176.78 2flg s GLN 11 N -1.35 4.23 0.05 4.03 -2.07 -1.26 -4.96 119.66 118.32 2flg s GLN 11 Ca -0.12 -0.01 -0.08 0.00 -1.82 0.00 0.00 55.36 53.33 2flg s GLN 11 Cb -0.09 -3.44 -0.00 0.00 -1.09 0.00 0.00 33.01 28.39 2flg s GLN 11 CO -0.00 0.23 0.16 0.00 -1.32 0.00 0.00 175.29 174.36 2flg s PRO 13 N -2.80 -0.35 0.00 0.00 0.04 -1.26 -4.96 135.00 125.67 2flg s PRO 13 Ca -0.03 0.25 0.26 0.00 0.04 0.00 0.00 61.00 61.52 2flg s PRO 13 Cb -0.00 -1.67 0.61 0.00 0.04 0.00 0.00 34.50 33.48 2flg s PRO 13 CO -0.05 -3.20 1.47 1.04 0.04 0.00 0.00 177.00 176.30 2flg n GLN 14 N -4.46 1.02 -0.00 4.56 1.13 -1.26 -3.75 117.38 114.61 2flg n GLN 14 Ca 0.08 -0.67 0.11 0.00 -1.94 0.00 0.00 57.00 54.59 2flg n GLN 14 Cb 0.58 -1.49 0.10 0.00 0.11 0.00 0.00 30.24 29.54 2flg n GLN 14 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2flg n ASN 15 N -0.41 2.91 -4.23 1.08 4.13 -1.26 -4.92 115.26 112.57 2flg n ASN 15 Ca 0.12 -1.95 -0.27 0.00 1.68 0.00 0.00 54.58 54.16 2flg n ASN 15 Cb 0.38 -0.01 -0.16 0.00 -1.54 0.00 0.00 39.78 38.46 2flg n ASN 15 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2flg s SER 16 N -1.89 2.47 -1.20 6.41 0.01 -1.25 -3.72 113.70 114.54 2flg s SER 16 Ca 0.27 -0.38 -0.06 0.00 1.31 0.00 0.00 55.95 57.09 2flg s SER 16 Cb 0.19 -0.28 0.21 0.00 0.21 0.00 0.00 66.02 66.35 2flg s SER 16 CO 0.29 0.26 1.92 0.61 0.41 0.00 0.00 173.24 176.72 2flg n GLY 17 N 2.57 5.23 3.24 3.44 0.00 0.97 -4.74 105.19 115.91 2flg n GLY 17 Ca -0.15 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.22 2flg n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flg s PHE 19 N -2.22 -0.26 -0.41 0.00 -0.71 -1.22 -4.62 117.98 108.55 2flg s PHE 19 Ca 0.51 0.62 -0.25 0.00 -1.04 0.00 0.00 56.93 56.78 2flg s PHE 19 Cb -0.12 0.43 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 2flg s PHE 19 CO 0.69 -0.13 0.87 0.50 -1.34 0.00 0.00 175.22 175.80 2flg s ARG 20 N 0.08 3.64 1.29 1.99 3.52 -1.25 -1.47 118.95 126.75 2flg s ARG 20 Ca 0.05 0.25 -0.20 0.00 -0.13 0.00 0.00 55.73 55.71 2flg s ARG 20 Cb -0.05 -3.87 0.30 0.00 -1.56 0.00 0.00 34.95 29.77 2flg s ARG 20 CO -0.11 -1.05 0.69 0.72 -0.81 0.00 0.00 175.30 174.74 2flg n HIS 21 N 6.82 -3.05 0.25 5.12 8.25 0.70 -4.75 115.22 128.56 2flg n HIS 21 Ca 0.05 -0.47 0.14 0.00 -0.26 0.00 0.00 57.72 57.18 2flg n HIS 21 Cb 0.48 -1.39 0.58 0.00 1.12 0.00 0.00 29.99 30.79 2flg n HIS 21 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2flg h LEU 22 N -3.23 0.00 -3.66 2.41 -0.00 -1.96 -2.70 115.31 106.17 2flg h LEU 22 Ca -0.37 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.18 2flg h LEU 22 Cb 1.14 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.61 2flg h LEU 22 CO 0.24 0.09 0.42 -0.67 -0.00 0.00 0.00 178.44 178.51 2flg n ASP 23 N -3.22 4.16 -3.62 -0.43 2.03 -1.26 -4.88 116.55 109.33 2flg n ASP 23 Ca 0.00 -3.27 -0.24 0.00 0.52 0.00 0.00 54.79 51.81 2flg n ASP 23 Cb 0.36 -0.77 0.07 0.00 -0.72 0.00 0.00 41.12 40.07 2flg n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2flg n GLU 24 N -0.52 -7.50 -3.97 -0.67 1.02 -1.02 -4.98 120.64 103.02 2flg n GLU 24 Ca 0.45 0.80 -0.33 0.00 -0.02 0.00 0.00 57.16 58.07 2flg n GLU 24 Cb 1.43 -5.83 -0.14 0.00 -0.02 0.00 0.00 31.44 26.88 2flg n GLU 24 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2flg s ARG 25 N -6.24 1.91 0.08 3.49 3.52 -1.25 -4.85 118.95 115.60 2flg s ARG 25 Ca 0.52 -1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.17 2flg s ARG 25 Cb -0.23 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2flg s ARG 25 CO 0.74 -0.83 1.09 -1.21 -0.81 0.00 0.00 175.30 174.28 2flg s GLU 26 N 1.05 4.53 -0.33 5.12 8.01 -1.26 -0.21 118.70 135.60 2flg s GLU 26 Ca 0.03 1.63 0.01 0.00 0.01 0.00 0.00 54.97 56.64 2flg s GLU 26 Cb -0.20 -3.37 0.11 0.00 -4.31 0.00 0.00 34.13 26.36 2flg s GLU 26 CO -0.05 -0.07 0.11 -2.00 0.01 0.00 0.00 175.26 173.25 2flg s GLU 27 N 0.61 0.94 -1.13 1.61 2.12 -0.54 -4.94 118.70 117.37 2flg s GLU 27 Ca 0.53 -1.36 -0.21 0.00 0.36 0.00 0.00 54.97 54.30 2flg s GLU 27 Cb -0.26 -2.26 -0.07 0.00 0.26 0.00 0.00 34.13 31.80 2flg s GLU 27 CO 0.30 -1.00 1.92 0.00 -0.54 0.00 0.00 175.26 175.93 2flg s LYS 29 N 5.44 3.56 0.47 0.00 2.47 -1.26 -4.83 119.74 125.60 2flg s LYS 29 Ca 0.61 -0.21 -0.23 0.00 -1.56 0.00 0.00 55.97 54.58 2flg s LYS 29 Cb 0.05 -2.86 -0.07 0.00 -1.46 0.00 0.00 37.83 33.49 2flg s LYS 29 CO 0.10 0.46 1.27 0.00 0.16 0.00 0.00 175.35 177.34 2flg n LEU 31 N -0.50 -0.81 0.00 0.00 4.77 -1.24 -4.59 117.00 114.62 2flg n LEU 31 Ca 0.07 -0.63 0.11 0.00 -0.03 0.00 0.00 56.01 55.53 2flg n LEU 31 Cb 0.46 -0.91 0.55 0.00 -2.33 0.00 0.00 43.42 41.18 2flg n LEU 31 CO 0.52 -3.98 0.86 -0.11 -1.33 0.00 0.00 177.39 173.35 2flg n LEU 32 N -3.80 0.00 -1.54 2.23 7.94 -1.26 -2.75 117.00 117.82 2flg n LEU 32 Ca 0.10 0.33 -0.09 0.00 -1.11 0.00 0.00 56.01 55.23 2flg n LEU 32 Cb 0.48 -0.33 0.21 0.00 0.53 0.00 0.00 43.42 44.32 2flg n LEU 32 CO 0.33 -0.08 0.90 0.59 -1.11 0.00 0.00 177.39 178.02 2flg n ASN 33 N -1.33 3.21 -3.80 1.96 3.02 -1.26 -4.91 115.26 112.14 2flg n ASN 33 Ca 0.10 -3.61 -0.24 0.00 -0.03 0.00 0.00 54.58 50.80 2flg n ASN 33 Cb 0.19 -0.70 -0.17 0.00 -0.61 0.00 0.00 39.78 38.49 2flg n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2flg s TYR 34 N -3.20 0.86 -0.43 3.10 1.51 -1.11 -3.22 117.35 114.87 2flg s TYR 34 Ca 0.49 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 56.15 2flg s TYR 34 Cb 0.43 -0.90 0.08 0.00 -0.11 0.00 0.00 41.96 41.45 2flg s TYR 34 CO 0.05 -0.37 0.28 -1.59 -1.11 0.00 0.00 175.55 172.81 2flg s LYS 35 N 1.90 2.62 -0.35 -0.62 -2.85 -1.18 -4.82 119.74 114.44 2flg s LYS 35 Ca 0.05 -1.48 -0.37 0.00 -1.00 0.00 0.00 55.97 53.17 2flg s LYS 35 Cb -0.12 -3.82 -0.13 0.00 -2.06 0.00 0.00 37.83 31.70 2flg s LYS 35 CO -0.06 -0.98 2.14 0.94 0.10 0.00 0.00 175.35 177.49 2flg n GLN 36 N 4.94 0.99 -0.08 1.78 -0.06 -1.26 -4.55 117.38 119.14 2flg n GLN 36 Ca -0.10 0.28 -0.21 0.00 -2.00 0.00 0.00 57.00 54.97 2flg n GLN 36 Cb 0.43 -2.33 -0.12 0.00 -4.06 0.00 0.00 30.24 24.16 2flg n GLN 36 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2flg n GLU 37 N 7.86 0.67 0.00 3.69 -0.58 -1.26 -5.00 120.64 126.02 2flg n GLU 37 Ca 0.41 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 2flg n GLU 37 Cb 0.19 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 2flg n GLU 37 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2flg n GLY 38 N 1.94 1.06 2.44 0.62 0.00 -1.26 -5.03 105.19 104.96 2flg n GLY 38 Ca -0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 2flg n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2flg n ASP 39 N 0.00 2.36 -3.54 1.61 5.75 -1.26 -5.08 116.55 116.39 2flg n ASP 39 Ca 0.00 -2.51 -0.08 0.00 -0.01 0.00 0.00 54.79 52.19 2flg n ASP 39 Cb 0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.63 2flg n ASP 39 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2flg s LYS 40 N -3.40 0.67 0.27 0.11 -2.85 -1.26 -5.15 119.74 108.12 2flg s LYS 40 Ca 0.34 -0.15 -0.29 0.00 -1.00 0.00 0.00 55.97 54.87 2flg s LYS 40 Cb 0.35 0.31 -0.09 0.00 -2.06 0.00 0.00 37.83 36.34 2flg s LYS 40 CO -0.03 -0.27 1.24 0.00 0.10 0.00 0.00 175.35 176.39 2flg s VAL 42 N -0.69 0.33 -0.99 0.00 -7.23 -1.26 -5.05 120.40 105.51 2flg s VAL 42 Ca 0.50 -0.19 -0.24 0.00 -1.81 0.00 0.00 61.98 60.24 2flg s VAL 42 Cb -0.36 -0.72 -0.09 0.00 0.56 0.00 0.00 36.38 35.76 2flg s VAL 42 CO 0.44 -0.04 2.04 -1.83 -0.31 0.00 0.00 175.10 175.40 2flg s GLU 43 N 1.97 2.23 -0.54 4.82 -1.05 -1.26 -3.08 118.70 121.78 2flg s GLU 43 Ca 0.02 -0.45 -0.21 0.00 -0.15 0.00 0.00 54.97 54.19 2flg s GLU 43 Cb -0.15 -5.06 0.03 0.00 -0.44 0.00 0.00 34.13 28.51 2flg s GLU 43 CO -0.07 -3.98 0.64 -1.71 0.95 0.00 0.00 175.26 171.09 2flg n ASN 44 N 15.51 -6.44 0.15 0.83 4.05 -1.20 -4.84 115.26 123.31 2flg n ASN 44 Ca 0.43 -0.07 0.12 0.00 0.45 0.00 0.00 54.58 55.51 2flg n ASN 44 Cb 0.46 -3.27 0.52 0.00 1.23 0.00 0.00 39.78 38.71 2flg n ASN 44 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2flg h PRO 45 N 1.46 0.00 -2.35 1.20 0.13 -1.90 -3.30 132.00 127.23 2flg h PRO 45 Ca -0.33 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.16 2flg h PRO 45 Cb 1.23 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 2flg h PRO 45 CO 0.25 0.00 -0.37 0.09 -0.23 0.00 0.00 178.00 177.74 2flg n ASN 46 N -2.33 4.18 0.26 1.44 3.02 -1.26 -4.86 115.26 115.71 2flg n ASN 46 Ca 0.02 -3.43 0.14 0.00 -0.03 0.00 0.00 54.58 51.28 2flg n ASN 46 Cb 0.23 -0.77 0.63 0.00 -0.61 0.00 0.00 39.78 39.26 2flg n ASN 46 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2flg h PRO 47 N 4.43 0.00 -0.01 3.52 0.13 -1.94 -3.55 132.00 134.58 2flg h PRO 47 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2flg h PRO 47 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2flg h PRO 47 CO 0.91 0.09 0.00 -2.37 -0.23 0.00 0.00 178.00 176.40