#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnl s SER 2 N 0.00 6.37 -0.30 1.61 1.04 -1.26 -5.09 113.70 116.07 2rnl s SER 2 Ca 0.00 0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.57 2rnl s SER 2 Cb 0.00 -1.97 0.18 0.00 0.10 0.00 0.00 66.02 64.33 2rnl s SER 2 CO 0.00 0.12 1.11 -0.55 0.98 0.00 0.00 173.24 174.90 2rnl s SER 3 N -2.68 -0.36 0.00 7.02 0.15 -1.26 -5.16 113.70 111.41 2rnl s SER 3 Ca 0.36 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2rnl s SER 3 Cb -0.12 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2rnl s SER 3 CO 0.28 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2rnl n GLY 4 N 5.16 3.17 3.07 9.45 0.00 -1.26 -5.18 105.19 119.60 2rnl n GLY 4 Ca -0.08 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2rnl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnl s SER 5 N 2.00 -0.14 -0.01 1.61 0.15 -1.26 -5.06 113.70 111.00 2rnl s SER 5 Ca 0.00 0.24 -0.00 0.00 0.70 0.00 0.00 55.95 56.89 2rnl s SER 5 Cb 0.00 0.33 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2rnl s SER 5 CO 0.00 -0.13 -0.01 -1.54 1.20 0.00 0.00 173.24 172.76 2rnl n SER 6 N 2.65 1.48 -3.48 5.45 3.41 -1.26 -5.12 113.62 116.75 2rnl n SER 6 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.36 2rnl n SER 6 Cb 0.58 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2rnl n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2rnl s GLY 7 N -4.67 -0.50 0.30 5.00 0.00 -1.26 -5.19 107.32 101.00 2rnl s GLY 7 Ca -0.01 0.96 0.04 0.00 0.00 0.00 0.00 44.72 45.71 2rnl s GLY 7 CO 0.02 0.38 0.20 0.54 0.00 0.00 0.00 173.10 174.24 2rnl s LYS 8 N -3.01 1.61 0.01 2.90 1.02 -1.26 -5.18 119.74 115.83 2rnl s LYS 8 Ca 0.02 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.09 2rnl s LYS 8 Cb -0.01 0.12 -0.01 0.00 -0.52 0.00 0.00 37.83 37.41 2rnl s LYS 8 CO -0.08 -0.53 -0.02 0.15 -0.92 0.00 0.00 175.35 173.95 2rnl s LYS 9 N -3.72 0.22 -0.28 1.68 -0.14 -1.26 -5.16 119.74 111.09 2rnl s LYS 9 Ca 0.38 -0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 54.31 2rnl s LYS 9 Cb 0.04 0.06 0.10 0.00 -1.68 0.00 0.00 37.83 36.36 2rnl s LYS 9 CO 0.21 -0.03 0.92 1.21 -0.76 0.00 0.00 175.35 176.90 2rnl s ASN 10 N -1.01 -0.55 0.43 2.83 3.84 -1.26 -5.04 114.94 114.17 2rnl s ASN 10 Ca -0.11 1.06 0.21 0.00 0.21 0.00 0.00 52.86 54.24 2rnl s ASN 10 Cb -0.07 1.08 0.93 0.00 -0.55 0.00 0.00 41.25 42.64 2rnl s ASN 10 CO -0.01 -0.19 1.85 1.55 -2.79 0.00 0.00 177.10 177.51 2rnl h PRO 11 N 4.45 0.00 0.00 0.43 0.13 -1.99 -1.70 132.00 133.32 2rnl h PRO 11 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rnl h PRO 11 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2rnl h PRO 11 CO 0.09 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 2rnl n ASN 13 N -2.20 0.70 0.01 0.00 3.02 -1.02 -3.24 115.26 112.53 2rnl n ASN 13 Ca 0.01 -1.84 -0.03 0.00 -0.03 0.00 0.00 54.58 52.69 2rnl n ASN 13 Cb 0.16 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnl n ALA 14 N -0.31 2.66 0.00 5.41 0.00 -0.67 -4.82 120.51 122.77 2rnl n ALA 14 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2rnl n ALA 14 Cb 0.55 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.30 2rnl n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rnl n GLU 15 N -3.50 1.05 -0.28 0.00 -0.58 -0.93 -4.69 120.64 111.72 2rnl n GLU 15 Ca -0.05 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.72 2rnl n GLU 15 Cb 0.26 -0.91 0.15 0.00 -0.57 0.00 0.00 31.44 30.37 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2rnl n PHE 16 N -2.14 0.65 -0.32 -0.32 3.01 0.20 -4.21 117.46 114.34 2rnl n PHE 16 Ca 0.00 -0.25 -0.03 0.00 1.01 0.00 0.00 57.45 58.18 2rnl n PHE 16 Cb 0.41 -0.17 0.09 0.00 -0.01 0.00 0.00 39.48 39.80 2rnl n PHE 16 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2rnl h GLN 17 N 1.57 1.11 -0.93 -1.08 4.15 -1.59 -1.19 115.11 117.15 2rnl h GLN 17 Ca 0.00 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.25 2rnl h GLN 17 Cb 0.83 -0.25 -0.06 0.00 0.21 0.00 0.00 27.48 28.21 2rnl h GLN 17 CO 0.12 0.73 0.13 -1.71 -1.93 0.00 0.00 178.83 176.18 2rnl n ASN 18 N -4.50 3.02 -0.02 -0.69 2.85 -1.26 -4.24 115.26 110.42 2rnl n ASN 18 Ca 0.10 -2.47 -0.01 0.00 -0.11 0.00 0.00 54.58 52.08 2rnl n ASN 18 Cb 0.03 -0.60 -0.00 0.00 1.24 0.00 0.00 39.78 40.45 2rnl n ASN 18 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2rnl n PHE 19 N 0.05 0.08 -2.16 1.20 -0.00 -0.45 -4.81 117.46 111.37 2rnl n PHE 19 Ca 0.16 0.03 -0.36 0.00 -0.00 0.00 0.00 57.45 57.28 2rnl n PHE 19 Cb 0.77 -0.20 -0.03 0.00 -0.00 0.00 0.00 39.48 40.02 2rnl n PHE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2rnl h ILE 21 N 6.83 0.00 -3.33 0.00 2.04 -1.75 -3.41 117.51 117.89 2rnl h ILE 21 Ca -0.15 -0.13 -0.63 0.00 1.00 0.00 0.00 64.86 64.95 2rnl h ILE 21 Cb 1.10 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.78 2rnl h ILE 21 CO 1.24 0.00 -0.70 -1.00 0.00 0.00 0.00 178.15 177.69 2rnl s HIS 22 N -4.03 2.80 0.00 1.37 3.76 -0.84 -5.00 115.29 113.34 2rnl s HIS 22 Ca -0.09 -2.70 0.00 0.00 -0.15 0.00 0.00 55.06 52.12 2rnl s HIS 22 Cb 0.01 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.27 2rnl s HIS 22 CO 0.28 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.75 2rnl n GLY 23 N 3.84 0.87 3.73 -2.22 0.00 -1.26 -4.42 105.19 105.73 2rnl n GLY 23 Ca 0.04 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2rnl n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rnl s GLU 24 N -1.97 4.34 -0.01 1.61 2.12 -0.54 -4.87 118.70 119.37 2rnl s GLU 24 Ca 0.00 0.58 -0.10 0.00 0.36 0.00 0.00 54.97 55.81 2rnl s GLU 24 Cb 0.00 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.93 2rnl s GLU 24 CO 0.00 0.20 0.31 0.00 -0.54 0.00 0.00 175.26 175.24 2rnl s LYS 26 N -1.35 0.19 0.21 0.00 2.36 -1.09 -4.95 119.74 115.10 2rnl s LYS 26 Ca 0.24 0.03 -0.30 0.00 -2.55 0.00 0.00 55.97 53.39 2rnl s LYS 26 Cb -0.14 -1.21 -0.09 0.00 -1.05 0.00 0.00 37.83 35.34 2rnl s LYS 26 CO 0.13 -0.76 1.23 -0.47 1.55 0.00 0.00 175.35 177.03 2rnl s TYR 27 N 2.28 3.36 -0.29 4.03 5.04 -1.26 -3.80 117.35 126.72 2rnl s TYR 27 Ca 0.07 1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 2rnl s TYR 27 Cb -0.16 -3.48 0.02 0.00 0.35 0.00 0.00 41.96 38.69 2rnl s TYR 27 CO -0.18 -1.38 0.05 0.42 -1.34 0.00 0.00 175.55 173.12 2rnl s ILE 28 N -0.20 3.65 -0.11 3.14 -1.09 -0.81 -4.99 121.20 120.78 2rnl s ILE 28 Ca 0.53 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 2rnl s ILE 28 Cb -0.34 -2.91 -0.02 0.00 -1.58 0.00 0.00 42.46 37.61 2rnl s ILE 28 CO 0.39 0.07 -0.11 -0.33 -1.23 0.00 0.00 174.94 173.73 2rnl h GLU 29 N 8.17 0.00 -0.26 2.79 5.08 -1.95 0.88 114.58 129.29 2rnl h GLU 29 Ca -0.30 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2rnl h GLU 29 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2rnl h GLU 29 CO 0.59 0.00 0.80 1.12 -1.00 0.00 0.00 179.01 180.52 2rnl h HIS 30 N -0.87 0.00 0.00 4.33 2.07 -1.98 1.19 115.15 119.89 2rnl h HIS 30 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2rnl h HIS 30 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 2rnl h HIS 30 CO -0.14 0.00 -0.81 1.28 -3.07 0.00 0.00 177.93 175.19 2rnl n LEU 31 N -2.90 0.16 -3.57 6.12 4.77 -1.26 -5.03 117.00 115.29 2rnl n LEU 31 Ca 0.05 -0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.56 2rnl n LEU 31 Cb 0.89 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.03 2rnl n LEU 31 CO 0.12 0.04 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.56 2rnl n GLU 32 N -1.45 -3.46 -3.73 3.23 1.02 0.41 -5.01 120.64 111.66 2rnl n GLU 32 Ca 0.00 0.65 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 2rnl n GLU 32 Cb 0.14 -5.11 -0.10 0.00 -0.02 0.00 0.00 31.44 26.36 2rnl n GLU 32 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rnl s ALA 33 N -3.53 -1.01 0.03 0.62 0.00 -0.07 -5.01 121.76 112.79 2rnl s ALA 33 Ca 0.23 1.18 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 2rnl s ALA 33 Cb -0.06 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 2rnl s ALA 33 CO 0.80 -0.20 0.43 0.08 0.00 0.00 0.00 175.76 176.87 2rnl s VAL 34 N 0.31 5.00 0.14 0.00 1.01 -1.26 -1.93 120.40 123.67 2rnl s VAL 34 Ca -0.01 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 2rnl s VAL 34 Cb -0.03 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2rnl s VAL 34 CO -0.00 0.51 0.24 0.28 0.00 0.00 0.00 175.10 176.13 2rnl s THR 35 N -1.16 0.09 -0.09 3.92 -1.32 -1.25 -5.00 115.64 110.83 2rnl s THR 35 Ca 0.27 -1.37 -0.02 0.00 -1.21 0.00 0.00 61.69 59.36 2rnl s THR 35 Cb -0.16 -1.72 0.04 0.00 -1.51 0.00 0.00 72.50 69.14 2rnl s THR 35 CO 0.15 -0.40 0.03 0.00 -2.21 0.00 0.00 174.62 172.19 2rnl s LYS 37 N 2.03 3.85 -0.02 0.00 -0.14 0.19 -4.82 119.74 120.84 2rnl s LYS 37 Ca 0.04 1.32 -0.21 0.00 -1.36 0.00 0.00 55.97 55.76 2rnl s LYS 37 Cb -0.13 -3.93 -0.05 0.00 -1.68 0.00 0.00 37.83 32.04 2rnl s LYS 37 CO -0.05 -1.20 0.61 0.00 -0.76 0.00 0.00 175.35 173.95 2rnl n GLN 39 N 2.96 -4.31 -0.27 0.00 1.13 -1.26 -4.79 117.38 110.85 2rnl n GLN 39 Ca -0.06 -1.18 -0.01 0.00 -1.94 0.00 0.00 57.00 53.82 2rnl n GLN 39 Cb 0.51 -1.55 0.18 0.00 0.11 0.00 0.00 30.24 29.49 2rnl n GLN 39 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 2rnl h GLN 40 N 0.00 1.11 0.01 -1.09 3.07 -1.99 -2.81 115.11 113.41 2rnl h GLN 40 Ca -0.32 -0.08 -0.21 0.00 0.09 0.00 0.00 58.65 58.13 2rnl h GLN 40 Cb 1.08 -0.24 0.02 0.00 0.08 0.00 0.00 27.48 28.41 2rnl h GLN 40 CO 0.19 0.76 -0.81 1.05 0.09 0.00 0.00 178.83 180.11 2rnl h GLU 41 N 1.14 0.53 -7.09 0.06 4.11 -1.96 -3.45 114.58 107.91 2rnl h GLU 41 Ca 0.30 -0.59 -0.50 0.00 0.07 0.00 0.00 59.36 58.65 2rnl h GLU 41 Cb -0.09 0.17 0.04 0.00 0.50 0.00 0.00 28.75 29.37 2rnl h GLU 41 CO -0.06 1.21 0.24 0.71 0.07 0.00 0.00 179.01 181.18 2rnl s TYR 42 N -3.20 3.56 0.24 2.06 2.02 -1.06 -4.48 117.35 116.49 2rnl s TYR 42 Ca -0.12 1.07 -0.19 0.00 -0.37 0.00 0.00 57.07 57.46 2rnl s TYR 42 Cb 0.05 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 2rnl s TYR 42 CO 0.87 -0.41 0.63 -0.59 -1.57 0.00 0.00 175.55 174.48 2rnl s PHE 43 N -2.83 -0.14 0.00 2.71 -0.71 -1.24 -4.00 117.98 111.77 2rnl s PHE 43 Ca 0.52 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 56.16 2rnl s PHE 43 Cb -0.11 0.54 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 2rnl s PHE 43 CO 0.45 -1.08 0.00 0.41 -1.34 0.00 0.00 175.22 173.66 2rnl n GLY 44 N -0.41 -0.25 0.02 1.99 0.00 -1.26 -3.94 105.19 101.34 2rnl n GLY 44 Ca -0.07 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 2rnl n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rnl n GLU 45 N 0.00 0.12 -0.20 1.61 2.13 -1.26 -4.59 120.64 118.45 2rnl n GLU 45 Ca 0.00 0.19 -0.05 0.00 0.66 0.00 0.00 57.16 57.97 2rnl n GLU 45 Cb 0.00 -0.86 0.13 0.00 0.27 0.00 0.00 31.44 30.98 2rnl n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rnl h ARG 46 N -0.24 0.99 -2.69 5.31 3.08 -1.86 -3.36 114.38 115.61 2rnl h ARG 46 Ca 0.00 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.73 2rnl h ARG 46 Cb 0.18 -0.15 0.05 0.00 0.08 0.00 0.00 29.97 30.13 2rnl h ARG 46 CO 0.00 0.86 -0.21 0.00 -1.07 0.00 0.00 179.97 179.55 2rnl n GLY 48 N -0.99 5.59 3.58 0.00 0.00 -1.26 -1.99 105.19 110.12 2rnl n GLY 48 Ca -0.03 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.96 2rnl n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rnl s GLU 49 N -3.54 0.86 0.00 1.61 2.02 -1.26 -5.00 118.70 113.38 2rnl s GLU 49 Ca 0.54 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.16 2rnl s GLU 49 Cb 0.45 0.36 0.00 0.00 0.10 0.00 0.00 34.13 35.04 2rnl s GLU 49 CO 0.02 -0.38 0.00 0.36 0.02 0.00 0.00 175.26 175.28