#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 0.00 0.48 2.41 1.10 -1.26 -5.15 121.20 118.78 2flg s ILE 2 Ca 0.00 -0.02 -0.21 0.00 -0.51 0.00 0.00 60.65 59.91 2flg s ILE 2 Cb 0.00 -0.13 -0.08 0.00 0.15 0.00 0.00 42.46 42.40 2flg s ILE 2 CO 0.00 -0.01 1.07 -0.94 -2.11 0.00 0.00 174.94 172.95 2flg s SER 3 N 0.00 6.28 0.73 4.50 1.04 -1.26 -5.06 113.70 119.94 2flg s SER 3 Ca -0.00 2.04 -0.03 0.00 0.48 0.00 0.00 55.95 58.44 2flg s SER 3 Cb -0.01 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.66 2flg s SER 3 CO 0.00 -0.83 0.78 0.00 0.98 0.00 0.00 173.24 174.17 2flg n GLN 4 N -0.81 -0.18 -4.10 4.02 1.13 -1.26 -5.13 117.38 111.05 2flg n GLN 4 Ca 0.09 -1.84 -0.09 0.00 -1.94 0.00 0.00 57.00 53.22 2flg n GLN 4 Cb 0.51 -0.61 -0.09 0.00 0.11 0.00 0.00 30.24 30.16 2flg n GLN 4 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2flg s HIS 5 N -2.41 0.71 0.31 1.08 -3.43 -1.26 -5.15 115.29 105.14 2flg s HIS 5 Ca 0.50 -1.11 0.02 0.00 -0.80 0.00 0.00 55.06 53.67 2flg s HIS 5 Cb -0.02 -0.38 -0.01 0.00 -1.43 0.00 0.00 32.58 30.74 2flg s HIS 5 CO 0.33 -0.53 0.36 1.04 -2.00 0.00 0.00 174.74 173.94 2flg n GLN 6 N -0.08 0.52 -3.33 -0.38 1.13 -1.26 -4.46 117.38 109.51 2flg n GLN 6 Ca -0.07 -2.71 -0.38 0.00 -1.94 0.00 0.00 57.00 51.89 2flg n GLN 6 Cb 0.63 2.43 -0.06 0.00 0.11 0.00 0.00 30.24 33.36 2flg n GLN 6 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2flg n VAL 8 N 2.23 0.08 -1.01 0.00 3.14 -1.26 -4.66 118.33 116.86 2flg n VAL 8 Ca -0.10 -0.08 0.09 0.00 -2.96 0.00 0.00 64.34 61.29 2flg n VAL 8 Cb 0.51 -0.23 0.19 0.00 -1.06 0.00 0.00 33.84 33.25 2flg n VAL 8 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2flg n LYS 9 N -1.84 2.01 -4.23 1.45 4.01 -1.26 -5.01 118.16 113.29 2flg n LYS 9 Ca -0.02 -2.66 -0.21 0.00 -0.51 0.00 0.00 58.31 54.90 2flg n LYS 9 Cb 0.32 -1.63 -0.12 0.00 -0.51 0.00 0.00 35.03 33.09 2flg n LYS 9 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2flg s LYS 10 N -2.80 0.98 -0.05 1.97 2.47 -1.26 -5.09 119.74 115.96 2flg s LYS 10 Ca 0.36 -1.06 -0.03 0.00 -1.56 0.00 0.00 55.97 53.67 2flg s LYS 10 Cb 0.30 -1.12 -0.01 0.00 -1.46 0.00 0.00 37.83 35.54 2flg s LYS 10 CO 0.05 0.26 -0.06 1.04 0.16 0.00 0.00 175.35 176.80 2flg n GLN 11 N 1.18 0.15 -1.24 4.03 6.02 -1.26 -4.94 117.38 121.32 2flg n GLN 11 Ca -0.20 0.32 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 2flg n GLN 11 Cb 0.54 -1.04 -0.04 0.00 1.02 0.00 0.00 30.24 30.72 2flg n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2flg s PRO 13 N -4.65 0.62 0.00 0.00 0.04 -1.26 -4.96 135.00 124.79 2flg s PRO 13 Ca 0.00 0.60 0.27 0.00 0.04 0.00 0.00 61.00 61.91 2flg s PRO 13 Cb 0.00 -1.75 0.87 0.00 0.04 0.00 0.00 34.50 33.66 2flg s PRO 13 CO 0.00 -2.62 1.64 0.00 0.04 0.00 0.00 177.00 176.06 2flg n GLN 14 N -4.11 1.62 -0.52 4.56 10.64 -1.26 -3.79 117.38 124.52 2flg n GLN 14 Ca 0.06 -1.02 0.08 0.00 -1.83 0.00 0.00 57.00 54.29 2flg n GLN 14 Cb 0.57 -1.48 0.28 0.00 -0.86 0.00 0.00 30.24 28.75 2flg n GLN 14 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2flg n ASN 15 N 0.20 4.10 -3.82 2.61 4.13 -1.26 -5.00 115.26 116.22 2flg n ASN 15 Ca 0.17 -3.03 -0.21 0.00 1.68 0.00 0.00 54.58 53.19 2flg n ASN 15 Cb 0.39 -0.57 -0.09 0.00 -1.54 0.00 0.00 39.78 37.97 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 -1.80 1.89 -0.51 6.41 0.01 -1.25 -3.99 113.70 114.48 2flg s SER 16 Ca 0.44 -1.65 0.07 0.00 1.31 0.00 0.00 55.95 56.12 2flg s SER 16 Cb 0.36 0.48 0.29 0.00 0.21 0.00 0.00 66.02 67.35 2flg s SER 16 CO 0.10 -0.96 0.72 0.61 0.41 0.00 0.00 173.24 174.12 2flg n GLY 17 N -0.68 4.19 3.24 3.44 0.00 0.62 -4.64 105.19 111.35 2flg n GLY 17 Ca 0.01 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.36 -0.47 0.00 -0.71 -1.23 -4.64 117.98 108.35 2flg s PHE 19 Ca 0.52 0.79 -0.24 0.00 -1.04 0.00 0.00 56.93 56.96 2flg s PHE 19 Cb -0.11 0.34 0.03 0.00 -1.21 0.00 0.00 43.02 42.07 2flg s PHE 19 CO 0.68 -0.17 0.87 0.50 -1.34 0.00 0.00 175.22 175.75 2flg s ARG 20 N 0.61 3.45 1.20 1.99 3.52 -1.24 -1.84 118.95 126.63 2flg s ARG 20 Ca -0.01 -0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.40 2flg s ARG 20 Cb -0.04 -3.95 0.23 0.00 -1.56 0.00 0.00 34.95 29.63 2flg s ARG 20 CO -0.11 -1.22 0.49 0.72 -0.81 0.00 0.00 175.30 174.37 2flg n HIS 21 N 7.02 -2.26 0.26 5.12 8.25 0.79 -4.73 115.22 129.67 2flg n HIS 21 Ca 0.04 -0.20 0.15 0.00 -0.26 0.00 0.00 57.72 57.45 2flg n HIS 21 Cb 0.48 -1.48 0.66 0.00 1.12 0.00 0.00 29.99 30.77 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 -2.77 0.00 -3.27 2.41 -0.00 -1.96 -2.47 115.31 107.25 2flg h LEU 22 Ca -0.44 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.24 2flg h LEU 22 Cb 1.19 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.73 2flg h LEU 22 CO 0.31 0.08 0.25 0.47 -0.00 0.00 0.00 178.44 179.54 2flg n ASP 23 N -3.23 4.19 -3.49 -0.43 8.00 -1.26 -4.88 116.55 115.45 2flg n ASP 23 Ca -0.00 -2.98 -0.23 0.00 0.71 0.00 0.00 54.79 52.29 2flg n ASP 23 Cb 0.32 -0.70 0.08 0.00 -0.02 0.00 0.00 41.12 40.79 2flg n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2flg n GLU 24 N -0.12 -7.66 -3.97 -1.24 1.02 -0.93 -4.98 120.64 102.76 2flg n GLU 24 Ca 0.34 0.80 -0.33 0.00 -0.02 0.00 0.00 57.16 57.95 2flg n GLU 24 Cb 1.20 -5.77 -0.14 0.00 -0.02 0.00 0.00 31.44 26.70 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 -6.22 1.91 0.07 3.49 3.52 -1.25 -4.86 118.95 115.62 2flg s ARG 25 Ca 0.54 -1.64 -0.29 0.00 -0.13 0.00 0.00 55.73 54.21 2flg s ARG 25 Cb -0.24 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 2flg s ARG 25 CO 0.71 -0.82 0.91 -1.21 -0.81 0.00 0.00 175.30 174.07 2flg s GLU 26 N 1.05 4.62 -0.35 5.12 2.02 -1.26 -0.15 118.70 129.75 2flg s GLU 26 Ca 0.03 1.34 0.00 0.00 0.02 0.00 0.00 54.97 56.36 2flg s GLU 26 Cb -0.20 -3.39 0.11 0.00 0.10 0.00 0.00 34.13 30.75 2flg s GLU 26 CO -0.05 0.19 0.15 -2.00 0.02 0.00 0.00 175.26 173.56 2flg s GLU 27 N 0.16 0.88 -1.18 1.61 2.56 -0.77 -4.95 118.70 117.01 2flg s GLU 27 Ca 0.45 -1.37 -0.22 0.00 0.00 0.00 0.00 54.97 53.83 2flg s GLU 27 Cb -0.22 -2.06 -0.07 0.00 2.00 0.00 0.00 34.13 33.78 2flg s GLU 27 CO 0.28 -1.05 1.91 0.00 -0.56 0.00 0.00 175.26 175.84 2flg s LYS 29 N 6.29 3.13 0.56 0.00 2.20 -1.26 -4.84 119.74 125.81 2flg s LYS 29 Ca 0.67 -0.43 -0.20 0.00 -0.36 0.00 0.00 55.97 55.65 2flg s LYS 29 Cb -0.01 -2.90 -0.06 0.00 -1.51 0.00 0.00 37.83 33.35 2flg s LYS 29 CO 0.12 0.67 0.97 0.00 -0.36 0.00 0.00 175.35 176.75 2flg n LEU 31 N -0.46 -0.64 0.00 0.00 4.77 -1.26 -4.49 117.00 114.92 2flg n LEU 31 Ca 0.12 -0.70 0.12 0.00 -0.03 0.00 0.00 56.01 55.53 2flg n LEU 31 Cb 0.46 -0.91 0.63 0.00 -2.33 0.00 0.00 43.42 41.26 2flg n LEU 31 CO 0.51 -4.11 0.91 0.18 -1.33 0.00 0.00 177.39 173.55 2flg n LEU 32 N -4.04 0.00 -1.48 2.23 4.77 -1.26 -2.94 117.00 114.27 2flg n LEU 32 Ca 0.11 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 2flg n LEU 32 Cb 0.49 -0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.47 2flg n LEU 32 CO 0.32 -0.05 0.80 0.59 -1.33 0.00 0.00 177.39 177.72 2flg n ASN 33 N -1.28 3.18 -3.56 -1.43 3.02 -1.26 -4.83 115.26 109.11 2flg n ASN 33 Ca 0.12 -3.77 -0.29 0.00 -0.03 0.00 0.00 54.58 50.61 2flg n ASN 33 Cb 0.19 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.33 1.27 -0.84 3.10 1.51 -1.15 -2.90 117.35 115.01 2flg s TYR 34 Ca 0.49 -2.00 -0.25 0.00 -1.01 0.00 0.00 57.07 54.29 2flg s TYR 34 Cb 0.43 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 2flg s TYR 34 CO 0.02 -0.81 1.40 -1.59 -1.11 0.00 0.00 175.55 173.46 2flg s LYS 35 N 0.70 3.28 0.10 -0.62 -2.85 -1.21 -4.70 119.74 114.45 2flg s LYS 35 Ca 0.19 -0.52 -0.36 0.00 -1.00 0.00 0.00 55.97 54.28 2flg s LYS 35 Cb -0.22 -4.66 -0.16 0.00 -2.06 0.00 0.00 37.83 30.73 2flg s LYS 35 CO -0.01 -2.25 1.40 0.94 0.10 0.00 0.00 175.35 175.54 2flg n GLN 36 N 9.17 1.39 -0.02 1.78 7.27 -1.26 -4.68 117.38 131.03 2flg n GLN 36 Ca 0.16 0.50 -0.02 0.00 0.07 0.00 0.00 57.00 57.72 2flg n GLN 36 Cb 0.50 -2.18 -0.03 0.00 2.41 0.00 0.00 30.24 30.95 2flg n GLN 36 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2flg n GLU 37 N 2.79 3.41 0.00 3.69 4.07 -1.26 -5.06 120.64 128.27 2flg n GLU 37 Ca 0.18 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2flg n GLU 37 Cb 0.21 -1.08 0.00 0.00 -0.06 0.00 0.00 31.44 30.51 2flg n GLU 37 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2flg n GLY 38 N 2.79 2.62 2.43 8.31 0.00 -1.26 -5.04 105.19 115.05 2flg n GLY 38 Ca -0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2flg n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2flg n ASP 39 N 0.00 3.89 -3.61 1.61 2.03 -1.26 -5.05 116.55 114.16 2flg n ASP 39 Ca 0.00 -3.39 -0.02 0.00 0.52 0.00 0.00 54.79 51.90 2flg n ASP 39 Cb 0.00 -0.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.94 2flg n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2flg s LYS 40 N -3.50 0.30 0.38 -0.67 -2.85 -1.26 -5.16 119.74 106.98 2flg s LYS 40 Ca 0.43 -0.14 -0.25 0.00 -1.00 0.00 0.00 55.97 55.01 2flg s LYS 40 Cb 0.41 0.12 -0.09 0.00 -2.06 0.00 0.00 37.83 36.21 2flg s LYS 40 CO -0.08 -0.13 1.08 0.00 0.10 0.00 0.00 175.35 176.31 2flg s VAL 42 N -1.52 -0.10 -1.04 0.00 -7.23 -1.26 -5.05 120.40 104.21 2flg s VAL 42 Ca 0.55 -0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 60.36 2flg s VAL 42 Cb -0.25 -0.55 -0.08 0.00 0.56 0.00 0.00 36.38 36.05 2flg s VAL 42 CO 0.32 -0.25 1.98 -1.83 -0.31 0.00 0.00 175.10 175.01 2flg s GLU 43 N 2.15 2.38 -0.64 4.82 -1.05 -1.26 -3.28 118.70 121.81 2flg s GLU 43 Ca 0.02 -0.67 -0.11 0.00 -0.15 0.00 0.00 54.97 54.06 2flg s GLU 43 Cb -0.16 -5.13 0.02 0.00 -0.44 0.00 0.00 34.13 28.42 2flg s GLU 43 CO -0.09 -3.87 0.65 -1.71 0.95 0.00 0.00 175.26 171.19 2flg n ASN 44 N 14.82 -6.63 0.24 0.83 4.05 -1.14 -4.86 115.26 122.57 2flg n ASN 44 Ca 0.43 -0.18 0.16 0.00 0.45 0.00 0.00 54.58 55.44 2flg n ASN 44 Cb 0.47 -3.68 0.65 0.00 1.23 0.00 0.00 39.78 38.44 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 0.93 0.00 -2.29 1.20 0.13 -1.89 -3.30 132.00 126.78 2flg h PRO 45 Ca -0.28 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.22 2flg h PRO 45 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2flg h PRO 45 CO 0.28 0.00 -0.39 0.09 -0.23 0.00 0.00 178.00 177.75 2flg n ASN 46 N -2.86 4.21 0.21 1.44 4.13 -1.26 -4.86 115.26 116.28 2flg n ASN 46 Ca 0.01 -3.46 0.15 0.00 1.68 0.00 0.00 54.58 52.96 2flg n ASN 46 Cb 0.28 -0.75 0.61 0.00 -1.54 0.00 0.00 39.78 38.38 2flg n ASN 46 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2flg h PRO 47 N 4.28 0.00 0.00 3.52 0.13 -1.95 -3.55 132.00 134.44 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 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2flg h PRO 47 CO 0.91 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.93