#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnl n SER 2 N 0.00 -1.89 -4.30 1.61 7.64 -1.26 -4.90 113.62 110.52 2rnl n SER 2 Ca 0.00 -1.15 -0.37 0.00 1.01 0.00 0.00 58.87 58.36 2rnl n SER 2 Cb 0.00 -2.13 -0.13 0.00 -1.01 0.00 0.00 64.21 60.95 2rnl n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rnl s SER 3 N -3.50 5.16 -1.07 6.43 0.01 -1.26 -4.57 113.70 114.91 2rnl s SER 3 Ca 0.63 -0.92 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 2rnl s SER 3 Cb -0.36 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.02 2rnl s SER 3 CO 0.98 -0.25 0.93 0.61 0.41 0.00 0.00 173.24 175.92 2rnl n GLY 4 N 4.83 -0.23 3.38 3.44 0.00 -1.26 -4.95 105.19 110.40 2rnl n GLY 4 Ca -0.14 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 2rnl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rnl s SER 5 N -3.30 6.48 -0.61 1.61 1.04 -1.26 -4.95 113.70 112.71 2rnl s SER 5 Ca 0.44 -1.97 0.05 0.00 0.48 0.00 0.00 55.95 54.94 2rnl s SER 5 Cb -0.19 -2.30 0.17 0.00 0.10 0.00 0.00 66.02 63.79 2rnl s SER 5 CO 0.58 -0.94 0.43 -0.55 0.98 0.00 0.00 173.24 173.74 2rnl s SER 6 N 3.21 3.87 0.00 7.02 0.15 -1.26 -4.96 113.70 121.73 2rnl s SER 6 Ca 0.19 -3.57 0.00 0.00 0.70 0.00 0.00 55.95 53.28 2rnl s SER 6 Cb -0.15 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 2rnl s SER 6 CO -0.03 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2rnl n GLY 7 N 2.31 2.26 3.15 9.45 0.00 -1.26 -5.13 105.19 115.97 2rnl n GLY 7 Ca 0.21 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2rnl n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rnl s LYS 8 N -1.65 2.63 0.04 1.61 2.20 -1.26 -5.12 119.74 118.19 2rnl s LYS 8 Ca 0.00 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.67 2rnl s LYS 8 Cb 0.00 -2.04 0.05 0.00 -1.51 0.00 0.00 37.83 34.32 2rnl s LYS 8 CO 0.00 0.10 0.50 0.15 -0.36 0.00 0.00 175.35 175.74 2rnl s LYS 9 N 0.52 1.01 0.03 4.03 1.02 -1.26 -5.17 119.74 119.91 2rnl s LYS 9 Ca -0.16 -0.26 0.07 0.00 0.02 0.00 0.00 55.97 55.64 2rnl s LYS 9 Cb -0.17 0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 2rnl s LYS 9 CO 0.06 -0.36 -0.20 -0.80 -0.92 0.00 0.00 175.35 173.13 2rnl s ASN 10 N -1.96 2.33 0.41 2.83 -0.87 -1.26 -5.02 114.94 111.39 2rnl s ASN 10 Ca -0.05 -0.47 0.29 0.00 -1.57 0.00 0.00 52.86 51.05 2rnl s ASN 10 Cb -0.01 -0.20 1.20 0.00 -0.02 0.00 0.00 41.25 42.22 2rnl s ASN 10 CO -0.02 0.16 1.86 1.55 -2.57 0.00 0.00 177.10 178.09 2rnl h PRO 11 N 5.06 0.00 -1.02 -0.60 0.13 -1.98 -2.77 132.00 130.84 2rnl h PRO 11 Ca -0.41 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.96 2rnl h PRO 11 Cb 1.16 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2rnl h PRO 11 CO 0.45 0.00 0.63 0.00 -0.23 0.00 0.00 178.00 178.85 2rnl n ASN 13 N -4.75 0.88 0.03 0.00 3.02 -1.20 -2.01 115.26 111.23 2rnl n ASN 13 Ca 0.25 -0.94 -0.02 0.00 -0.03 0.00 0.00 54.58 53.84 2rnl n ASN 13 Cb 0.77 0.32 -0.01 0.00 -0.61 0.00 0.00 39.78 40.25 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnl h ALA 14 N 0.50 -0.22 0.00 5.41 0.00 -1.02 -3.41 119.26 120.52 2rnl h ALA 14 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rnl h ALA 14 Cb 0.10 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2rnl h ALA 14 CO 0.00 -0.21 -0.79 0.39 0.00 0.00 0.00 179.25 178.64 2rnl n GLU 15 N -3.71 2.60 -0.23 0.00 4.71 -0.99 -4.68 120.64 118.33 2rnl n GLU 15 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.16 2rnl n GLU 15 Cb 0.06 -0.89 0.12 0.00 -1.01 0.00 0.00 31.44 29.71 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2rnl n PHE 16 N -1.79 0.54 -0.37 -0.32 3.01 -0.23 -4.20 117.46 114.10 2rnl n PHE 16 Ca 0.00 -0.20 0.03 0.00 1.01 0.00 0.00 57.45 58.29 2rnl n PHE 16 Cb 0.39 -0.17 0.18 0.00 -0.01 0.00 0.00 39.48 39.87 2rnl n PHE 16 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2rnl h GLN 17 N 1.21 1.13 -0.94 -1.08 3.07 -1.52 -0.26 115.11 116.73 2rnl h GLN 17 Ca 0.00 -0.07 -0.22 0.00 0.09 0.00 0.00 58.65 58.45 2rnl h GLN 17 Cb 0.78 -0.25 -0.13 0.00 0.08 0.00 0.00 27.48 27.96 2rnl h GLN 17 CO 0.11 0.75 0.28 0.09 0.09 0.00 0.00 178.83 180.14 2rnl n ASN 18 N -4.51 3.51 -0.02 0.06 4.13 -1.26 -4.34 115.26 112.82 2rnl n ASN 18 Ca 0.16 -2.82 -0.02 0.00 1.68 0.00 0.00 54.58 53.58 2rnl n ASN 18 Cb 0.19 -0.67 -0.01 0.00 -1.54 0.00 0.00 39.78 37.76 2rnl n ASN 18 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 2rnl n PHE 19 N -0.23 0.02 -2.20 3.10 -0.00 -0.11 -4.75 117.46 113.29 2rnl n PHE 19 Ca 0.29 0.01 -0.33 0.00 -0.00 0.00 0.00 57.45 57.42 2rnl n PHE 19 Cb 1.07 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.48 40.37 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 5.94 0.00 -3.29 0.00 2.04 -1.72 -3.37 117.51 117.10 2rnl h ILE 21 Ca 0.29 0.00 -0.52 0.00 1.00 0.00 0.00 64.86 65.63 2rnl h ILE 21 Cb 0.91 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.59 2rnl h ILE 21 CO 1.31 0.00 -0.76 -1.00 0.00 0.00 0.00 178.15 177.70 2rnl s HIS 22 N -4.46 1.10 0.00 1.37 3.76 -0.88 -4.99 115.29 111.19 2rnl s HIS 22 Ca -0.07 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 53.93 2rnl s HIS 22 Cb 0.06 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.70 2rnl s HIS 22 CO 0.36 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 174.04 2rnl n GLY 23 N 5.03 1.84 3.74 -2.22 0.00 -1.26 -4.53 105.19 107.79 2rnl n GLY 23 Ca -0.09 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.88 4.36 0.03 1.61 2.56 -1.07 -4.83 118.70 119.47 2rnl s GLU 24 Ca 0.00 0.73 -0.09 0.00 0.00 0.00 0.00 54.97 55.61 2rnl s GLU 24 Cb 0.00 -3.39 -0.05 0.00 2.00 0.00 0.00 34.13 32.68 2rnl s GLU 24 CO 0.00 0.23 0.34 0.00 -0.56 0.00 0.00 175.26 175.27 2rnl s LYS 26 N -1.68 0.24 -0.27 0.00 2.47 0.57 -4.95 119.74 116.12 2rnl s LYS 26 Ca 0.29 -0.33 -0.15 0.00 -1.56 0.00 0.00 55.97 54.22 2rnl s LYS 26 Cb -0.14 -1.70 -0.04 0.00 -1.46 0.00 0.00 37.83 34.49 2rnl s LYS 26 CO 0.16 -0.78 0.37 -0.47 0.16 0.00 0.00 175.35 174.78 2rnl s TYR 27 N 2.05 3.25 0.05 4.03 5.04 -1.26 -1.43 117.35 129.07 2rnl s TYR 27 Ca 0.04 0.40 -0.13 0.00 -2.44 0.00 0.00 57.07 54.94 2rnl s TYR 27 Cb -0.16 -2.57 -0.06 0.00 0.35 0.00 0.00 41.96 39.52 2rnl s TYR 27 CO -0.18 -0.23 0.42 0.42 -1.34 0.00 0.00 175.55 174.65 2rnl s ILE 28 N 2.06 5.03 -0.14 3.14 1.09 -0.54 -4.97 121.20 126.87 2rnl s ILE 28 Ca 0.15 0.69 -0.10 0.00 -1.10 0.00 0.00 60.65 60.29 2rnl s ILE 28 Cb -0.16 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.50 2rnl s ILE 28 CO 0.10 0.44 -0.05 -0.08 -0.10 0.00 0.00 174.94 175.24 2rnl h GLU 29 N 4.21 0.00 0.00 2.79 4.22 -1.95 -0.16 114.58 123.69 2rnl h GLU 29 Ca -0.50 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.94 2rnl h GLU 29 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2rnl h GLU 29 CO 0.64 0.17 0.54 1.12 -2.18 0.00 0.00 179.01 179.30 2rnl h HIS 30 N -1.00 0.00 0.00 0.92 2.07 -1.99 0.64 115.15 115.79 2rnl h HIS 30 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 2rnl h HIS 30 Cb 0.53 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 2rnl h HIS 30 CO -0.11 0.00 -1.09 1.28 -3.07 0.00 0.00 177.93 174.94 2rnl n LEU 31 N -2.62 0.08 -3.89 6.12 4.77 -1.26 -5.02 117.00 115.19 2rnl n LEU 31 Ca -0.01 -0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 2rnl n LEU 31 Cb 0.56 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 2rnl n LEU 31 CO 0.08 0.02 0.02 -0.62 -1.33 0.00 0.00 177.39 175.56 2rnl n GLU 32 N -1.61 -4.96 -4.05 3.23 1.02 0.22 -4.97 120.64 109.52 2rnl n GLU 32 Ca -0.01 0.57 -0.14 0.00 -0.02 0.00 0.00 57.16 57.56 2rnl n GLU 32 Cb 0.17 -5.29 -0.14 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.46 0.29 0.07 0.62 0.00 -0.95 -4.99 121.76 113.34 2rnl s ALA 33 Ca 0.44 -0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 2rnl s ALA 33 Cb -0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 2rnl s ALA 33 CO 0.84 0.04 0.45 0.54 0.00 0.00 0.00 175.76 177.64 2rnl s VAL 34 N -0.29 4.99 0.08 0.00 0.11 -1.26 -1.46 120.40 122.56 2rnl s VAL 34 Ca -0.01 0.71 0.06 0.00 -2.93 0.00 0.00 61.98 59.81 2rnl s VAL 34 Cb -0.03 -3.70 -0.03 0.00 -1.53 0.00 0.00 36.38 31.09 2rnl s VAL 34 CO -0.00 0.38 -0.15 0.42 -3.33 0.00 0.00 175.10 172.41 2rnl s THR 35 N -1.31 1.22 -0.26 5.04 -4.23 -0.51 -4.97 115.64 110.62 2rnl s THR 35 Ca 0.31 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.43 2rnl s THR 35 Cb -0.15 -1.20 0.08 0.00 1.34 0.00 0.00 72.50 72.56 2rnl s THR 35 CO 0.17 -0.23 0.01 0.00 -0.54 0.00 0.00 174.62 174.02 2rnl s LYS 37 N 1.41 4.19 -0.11 0.00 2.36 0.13 -4.66 119.74 123.06 2rnl s LYS 37 Ca 0.01 1.22 0.02 0.00 -2.55 0.00 0.00 55.97 54.66 2rnl s LYS 37 Cb -0.18 -2.27 -0.01 0.00 -1.05 0.00 0.00 37.83 34.31 2rnl s LYS 37 CO -0.11 -0.07 -0.16 0.00 1.55 0.00 0.00 175.35 176.56 2rnl n GLN 39 N 3.29 -3.63 0.11 0.00 1.13 -1.26 -4.76 117.38 112.25 2rnl n GLN 39 Ca -0.18 -1.07 0.05 0.00 -1.94 0.00 0.00 57.00 53.86 2rnl n GLN 39 Cb 0.53 -1.84 0.49 0.00 0.11 0.00 0.00 30.24 29.52 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 -3.15 0.31 0.05 -1.09 3.07 -2.01 -2.55 115.11 109.74 2rnl h GLN 40 Ca -0.42 -0.03 -0.23 0.00 0.09 0.00 0.00 58.65 58.07 2rnl h GLN 40 Cb 1.20 -0.06 0.02 0.00 0.08 0.00 0.00 27.48 28.72 2rnl h GLN 40 CO 0.28 0.24 -0.93 0.93 0.09 0.00 0.00 178.83 179.44 2rnl h GLU 41 N 0.31 0.54 -6.88 0.06 4.39 -1.95 -3.46 114.58 107.59 2rnl h GLU 41 Ca 0.08 -0.65 -0.45 0.00 0.34 0.00 0.00 59.36 58.68 2rnl h GLU 41 Cb 0.03 0.20 0.05 0.00 -0.10 0.00 0.00 28.75 28.93 2rnl h GLU 41 CO -0.01 1.26 -0.00 0.71 -1.16 0.00 0.00 179.01 179.81 2rnl s TYR 42 N -3.08 3.00 0.29 4.33 1.51 -0.96 -4.49 117.35 117.96 2rnl s TYR 42 Ca -0.11 0.17 -0.17 0.00 -1.01 0.00 0.00 57.07 55.94 2rnl s TYR 42 Cb 0.05 -2.68 0.02 0.00 -0.11 0.00 0.00 41.96 39.23 2rnl s TYR 42 CO 0.88 -0.79 0.66 -0.59 -1.11 0.00 0.00 175.55 174.60 2rnl s PHE 43 N -2.78 0.04 0.00 2.71 -0.71 -1.23 -4.13 117.98 111.87 2rnl s PHE 43 Ca 0.55 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 2rnl s PHE 43 Cb -0.10 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.28 2rnl s PHE 43 CO 0.40 -1.23 0.00 0.41 -1.34 0.00 0.00 175.22 173.46 2rnl n GLY 44 N -0.46 -0.16 0.13 1.99 0.00 -1.26 -3.91 105.19 101.53 2rnl n GLY 44 Ca -0.04 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.21 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 0.47 -0.02 1.61 4.07 -1.26 -4.58 120.64 120.92 2rnl n GLU 45 Ca 0.00 0.19 0.02 0.00 -0.06 0.00 0.00 57.16 57.30 2rnl n GLU 45 Cb 0.00 -1.32 0.34 0.00 -0.06 0.00 0.00 31.44 30.40 2rnl n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2rnl h ARG 46 N -0.88 0.58 -3.67 5.31 2.47 -1.85 -3.40 114.38 112.93 2rnl h ARG 46 Ca 0.00 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.43 2rnl h ARG 46 Cb 0.88 -0.11 0.08 0.00 -1.65 0.00 0.00 29.97 29.17 2rnl h ARG 46 CO 0.00 0.48 -0.37 0.00 0.56 0.00 0.00 179.97 180.64 2rnl n GLY 48 N -1.30 5.62 3.44 0.00 0.00 -1.26 -2.07 105.19 109.62 2rnl n GLY 48 Ca -0.01 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2rnl n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2rnl s GLU 49 N -3.46 1.27 0.00 1.61 -1.05 -1.26 -5.01 118.70 110.80 2rnl s GLU 49 Ca 0.49 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2rnl s GLU 49 Cb 0.42 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.61 2rnl s GLU 49 CO 0.00 -0.52 0.00 0.36 0.95 0.00 0.00 175.26 176.05