#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 5.57 -3.65 1.61 3.41 -1.26 -4.40 113.62 114.90 2rnl n SER 2 Ca 0.00 -3.76 -0.20 0.00 -0.26 0.00 0.00 58.87 54.65 2rnl n SER 2 Cb 0.00 -0.52 -0.17 0.00 -0.26 0.00 0.00 64.21 63.26 2rnl n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2rnl s SER 3 N -3.12 1.22 0.00 4.04 0.01 -1.26 -5.11 113.70 109.48 2rnl s SER 3 Ca 0.53 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2rnl s SER 3 Cb 0.43 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2rnl s SER 3 CO -0.03 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2rnl n GLY 4 N 5.31 -2.45 0.06 3.44 0.00 -1.26 -4.74 105.19 105.55 2rnl n GLY 4 Ca -0.04 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 2rnl n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2rnl h SER 5 N 0.00 -0.02 -4.03 1.61 0.87 -1.99 -3.46 113.55 106.53 2rnl h SER 5 Ca 0.00 -0.36 -0.51 0.00 -1.23 0.00 0.00 61.79 59.68 2rnl h SER 5 Cb 0.00 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.04 2rnl h SER 5 CO 0.00 0.66 0.48 -0.44 -0.53 0.00 0.00 176.83 177.00 2rnl s SER 6 N -5.77 5.90 0.00 6.23 0.01 -1.26 -4.65 113.70 114.17 2rnl s SER 6 Ca -0.07 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2rnl s SER 6 Cb -0.01 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2rnl s SER 6 CO 0.27 -1.10 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2rnl n GLY 7 N 0.42 -0.73 3.96 3.44 0.00 -1.26 -4.65 105.19 106.36 2rnl n GLY 7 Ca 0.09 0.27 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 2rnl n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rnl s LYS 8 N 0.00 3.18 0.08 1.61 -2.85 -1.26 -4.58 119.74 115.92 2rnl s LYS 8 Ca 0.00 -0.56 0.01 0.00 -1.00 0.00 0.00 55.97 54.43 2rnl s LYS 8 Cb 0.00 -2.64 -0.04 0.00 -2.06 0.00 0.00 37.83 33.09 2rnl s LYS 8 CO 0.00 -0.09 -0.06 0.15 0.10 0.00 0.00 175.35 175.45 2rnl s LYS 9 N -4.41 0.72 -0.51 1.78 1.02 -1.26 -5.11 119.74 111.97 2rnl s LYS 9 Ca 0.45 -1.18 0.04 0.00 0.02 0.00 0.00 55.97 55.30 2rnl s LYS 9 Cb -0.10 -0.14 0.17 0.00 -0.52 0.00 0.00 37.83 37.24 2rnl s LYS 9 CO 0.36 -0.02 0.38 1.21 -0.92 0.00 0.00 175.35 176.36 2rnl s ASN 10 N -2.69 2.73 0.49 2.83 3.84 -1.26 -4.94 114.94 115.93 2rnl s ASN 10 Ca 0.06 -3.28 0.27 0.00 0.21 0.00 0.00 52.86 50.12 2rnl s ASN 10 Cb 0.02 -0.87 1.15 0.00 -0.55 0.00 0.00 41.25 41.00 2rnl s ASN 10 CO -0.05 -0.15 1.92 1.55 -2.79 0.00 0.00 177.10 177.58 2rnl h PRO 11 N 5.66 0.00 -1.19 0.43 0.13 -1.99 -3.16 132.00 131.88 2rnl h PRO 11 Ca 0.20 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.73 2rnl h PRO 11 Cb 0.86 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.89 2rnl h PRO 11 CO 0.49 0.15 0.79 0.00 -0.23 0.00 0.00 178.00 179.20 2rnl n ASN 13 N -4.15 0.02 -0.03 0.00 0.23 -1.23 -3.14 115.26 106.97 2rnl n ASN 13 Ca 0.33 -0.48 -0.01 0.00 -0.53 0.00 0.00 54.58 53.89 2rnl n ASN 13 Cb 1.32 0.92 -0.00 0.00 -2.08 0.00 0.00 39.78 39.94 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rnl h ALA 14 N 0.00 0.00 0.00 -2.53 0.00 0.52 -3.32 119.26 113.93 2rnl h ALA 14 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2rnl h ALA 14 Cb 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2rnl h ALA 14 CO 0.00 0.08 -2.10 -1.91 0.00 0.00 0.00 179.25 175.31 2rnl n GLU 15 N -3.30 0.76 -0.80 0.00 4.07 -0.32 -4.30 120.64 116.75 2rnl n GLU 15 Ca -0.01 -0.10 0.08 0.00 -0.06 0.00 0.00 57.16 57.06 2rnl n GLU 15 Cb 0.04 -1.48 0.39 0.00 -0.06 0.00 0.00 31.44 30.32 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 2rnl n PHE 16 N -2.44 1.87 -0.19 4.31 3.72 0.76 -4.63 117.46 120.86 2rnl n PHE 16 Ca -0.16 -0.71 -0.06 0.00 -0.05 0.00 0.00 57.45 56.47 2rnl n PHE 16 Cb 0.81 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2rnl n PHE 16 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2rnl h GLN 17 N 3.89 -0.17 -0.97 -1.08 5.75 -1.64 0.41 115.11 121.29 2rnl h GLN 17 Ca 0.00 0.01 -0.26 0.00 -0.15 0.00 0.00 58.65 58.25 2rnl h GLN 17 Cb 1.82 0.04 -0.16 0.00 1.07 0.00 0.00 27.48 30.25 2rnl h GLN 17 CO 0.41 -0.12 0.33 0.09 -2.65 0.00 0.00 178.83 176.90 2rnl n ASN 18 N -5.43 3.46 0.00 -0.69 4.13 -1.26 -4.43 115.26 111.04 2rnl n ASN 18 Ca 0.03 -2.87 0.00 0.00 1.68 0.00 0.00 54.58 53.42 2rnl n ASN 18 Cb 0.35 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.91 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 -0.35 0.00 -2.11 3.10 7.35 0.15 -4.76 117.46 120.84 2rnl n PHE 19 Ca 0.32 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.69 2rnl n PHE 19 Cb 1.13 -0.17 -0.04 0.00 0.35 0.00 0.00 39.48 40.75 2rnl n PHE 19 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2rnl h ILE 21 N 7.05 0.20 -3.00 0.00 2.04 -1.78 -3.40 117.51 118.62 2rnl h ILE 21 Ca -0.02 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.26 2rnl h ILE 21 Cb 1.06 0.20 -0.40 0.00 -0.74 0.00 0.00 36.82 36.94 2rnl h ILE 21 CO 1.23 0.00 -0.77 -1.00 0.00 0.00 0.00 178.15 177.62 2rnl s HIS 22 N -5.99 1.32 0.00 1.37 3.76 -1.03 -5.01 115.29 109.72 2rnl s HIS 22 Ca -0.18 -1.59 0.00 0.00 -0.15 0.00 0.00 55.06 53.14 2rnl s HIS 22 Cb 0.05 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.26 2rnl s HIS 22 CO 0.62 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 2rnl n GLY 23 N 4.75 2.17 3.75 -2.22 0.00 -1.26 -4.44 105.19 107.93 2rnl n GLY 23 Ca -0.01 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 4.23 -0.16 1.61 2.56 -0.96 -4.83 118.70 119.16 2rnl s GLU 24 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 54.97 55.23 2rnl s GLU 24 Cb 0.00 -3.39 -0.05 0.00 2.00 0.00 0.00 34.13 32.70 2rnl s GLU 24 CO 0.00 0.29 0.19 0.00 -0.56 0.00 0.00 175.26 175.18 2rnl s LYS 26 N -0.05 0.85 0.17 0.00 2.47 -0.40 -5.00 119.74 117.78 2rnl s LYS 26 Ca 0.13 -1.06 -0.30 0.00 -1.56 0.00 0.00 55.97 53.18 2rnl s LYS 26 Cb -0.12 -2.16 -0.08 0.00 -1.46 0.00 0.00 37.83 34.01 2rnl s LYS 26 CO 0.02 -0.91 1.29 -0.47 0.16 0.00 0.00 175.35 175.45 2rnl s TYR 27 N 1.56 3.30 -0.19 4.03 5.04 -1.26 -3.74 117.35 126.09 2rnl s TYR 27 Ca 0.07 1.22 -0.04 0.00 -2.44 0.00 0.00 57.07 55.88 2rnl s TYR 27 Cb -0.17 -3.57 -0.02 0.00 0.35 0.00 0.00 41.96 38.54 2rnl s TYR 27 CO -0.20 -1.80 -0.02 0.42 -1.34 0.00 0.00 175.55 172.61 2rnl s ILE 28 N 0.31 3.83 -0.13 3.14 1.01 -0.84 -5.01 121.20 123.51 2rnl s ILE 28 Ca 0.57 -0.36 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 2rnl s ILE 28 Cb -0.35 -2.72 -0.19 0.00 0.01 0.00 0.00 42.46 39.21 2rnl s ILE 28 CO 0.36 0.44 0.53 -0.33 0.00 0.00 0.00 174.94 175.95 2rnl h GLU 29 N 7.38 0.00 0.00 2.79 5.08 -1.95 0.76 114.58 128.64 2rnl h GLU 29 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2rnl h GLU 29 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2rnl h GLU 29 CO 0.61 0.72 0.20 -2.39 -1.00 0.00 0.00 179.01 177.16 2rnl n HIS 30 N -4.65 0.54 0.00 4.33 1.44 -1.26 -0.70 115.22 114.92 2rnl n HIS 30 Ca -0.08 0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.91 2rnl n HIS 30 Cb 0.36 -0.81 -0.00 0.00 0.12 0.00 0.00 29.99 29.66 2rnl n HIS 30 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2rnl n LEU 31 N -2.12 0.00 -3.86 2.39 4.77 -1.23 -5.02 117.00 111.93 2rnl n LEU 31 Ca -0.01 -0.13 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 2rnl n LEU 31 Cb 0.23 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2rnl n LEU 31 CO 0.07 0.00 0.11 -0.62 -1.33 0.00 0.00 177.39 175.62 2rnl n GLU 32 N -1.37 -5.57 -3.99 3.23 1.02 0.26 -4.97 120.64 109.25 2rnl n GLU 32 Ca -0.00 0.61 -0.12 0.00 -0.02 0.00 0.00 57.16 57.63 2rnl n GLU 32 Cb 0.00 -5.51 -0.13 0.00 -0.02 0.00 0.00 31.44 25.78 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 -3.28 0.21 0.34 0.62 0.00 -0.88 -4.99 121.76 113.79 2rnl s ALA 33 Ca 0.65 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.25 2rnl s ALA 33 Cb -0.32 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 2rnl s ALA 33 CO 0.80 -0.01 0.64 0.14 0.00 0.00 0.00 175.76 177.33 2rnl s VAL 34 N -0.54 4.93 -0.05 0.00 -7.23 -1.26 -1.98 120.40 114.26 2rnl s VAL 34 Ca -0.04 0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 2rnl s VAL 34 Cb -0.04 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.19 2rnl s VAL 34 CO -0.00 -0.41 0.34 0.28 -0.31 0.00 0.00 175.10 175.00 2rnl s THR 35 N -2.21 0.04 -0.26 5.32 -1.32 -1.25 -4.98 115.64 110.98 2rnl s THR 35 Ca 0.47 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.65 2rnl s THR 35 Cb -0.11 -0.60 0.06 0.00 -1.51 0.00 0.00 72.50 70.35 2rnl s THR 35 CO 0.31 -0.17 -0.07 0.00 -2.21 0.00 0.00 174.62 172.48 2rnl s LYS 37 N 1.23 3.97 -0.16 0.00 2.20 0.12 -4.78 119.74 122.32 2rnl s LYS 37 Ca -0.06 1.55 -0.22 0.00 -0.36 0.00 0.00 55.97 56.88 2rnl s LYS 37 Cb -0.19 -3.91 -0.02 0.00 -1.51 0.00 0.00 37.83 32.19 2rnl s LYS 37 CO -0.06 -1.06 0.69 0.00 -0.36 0.00 0.00 175.35 174.56 2rnl n GLN 39 N 4.81 -3.33 -0.02 0.00 1.13 -1.26 -4.75 117.38 113.96 2rnl n GLN 39 Ca 0.00 -0.96 -0.00 0.00 -1.94 0.00 0.00 57.00 54.10 2rnl n GLN 39 Cb 0.50 -1.36 0.28 0.00 0.11 0.00 0.00 30.24 29.77 2rnl n GLN 39 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2rnl h GLN 40 N 0.00 0.57 -0.20 -1.09 4.15 -2.00 -2.90 115.11 113.65 2rnl h GLN 40 Ca -0.26 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 58.96 2rnl h GLN 40 Cb 0.87 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 2rnl h GLN 40 CO 0.15 0.58 -0.21 0.93 -1.93 0.00 0.00 178.83 178.35 2rnl h GLU 41 N 0.55 0.50 -6.87 1.69 5.08 -1.96 -3.45 114.58 110.11 2rnl h GLU 41 Ca 0.12 -0.27 -0.44 0.00 -1.00 0.00 0.00 59.36 57.77 2rnl h GLU 41 Cb 0.31 0.01 0.05 0.00 0.50 0.00 0.00 28.75 29.63 2rnl h GLU 41 CO 0.01 0.85 -0.02 0.71 -1.00 0.00 0.00 179.01 179.56 2rnl s TYR 42 N -4.30 2.69 0.33 4.33 2.02 -1.09 -4.17 117.35 117.16 2rnl s TYR 42 Ca -0.13 -0.05 -0.17 0.00 -0.37 0.00 0.00 57.07 56.34 2rnl s TYR 42 Cb 0.07 -2.78 0.04 0.00 -0.40 0.00 0.00 41.96 38.88 2rnl s TYR 42 CO 0.79 -0.98 0.73 -0.59 -1.57 0.00 0.00 175.55 173.92 2rnl s PHE 43 N -2.81 0.04 0.00 2.71 -0.71 -1.15 -4.25 117.98 111.82 2rnl s PHE 43 Ca 0.58 -0.60 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2rnl s PHE 43 Cb -0.10 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 2rnl s PHE 43 CO 0.39 -1.39 0.00 0.41 -1.34 0.00 0.00 175.22 173.29 2rnl n GLY 44 N -0.50 0.09 0.20 1.99 0.00 -1.26 -3.52 105.19 102.20 2rnl n GLY 44 Ca -0.06 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 1.88 0.47 -0.01 1.61 2.13 -1.26 -4.62 120.64 120.85 2rnl n GLU 45 Ca 0.00 0.19 -0.03 0.00 0.66 0.00 0.00 57.16 57.98 2rnl n GLU 45 Cb 0.00 -1.33 0.21 0.00 0.27 0.00 0.00 31.44 30.59 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 -0.89 0.54 -3.40 5.31 3.08 -1.86 -3.39 114.38 113.77 2rnl h ARG 46 Ca -0.06 -0.18 -0.18 0.00 0.07 0.00 0.00 59.98 59.63 2rnl h ARG 46 Cb 0.95 -0.04 0.07 0.00 0.08 0.00 0.00 29.97 31.03 2rnl h ARG 46 CO -0.04 0.69 -0.33 0.00 -1.07 0.00 0.00 179.97 179.22 2rnl n GLY 48 N -1.17 -1.04 3.87 0.00 0.00 -1.26 -2.46 105.19 103.14 2rnl n GLY 48 Ca -0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.66 3.16 0.00 1.61 0.41 -1.26 -4.92 118.70 115.04 2rnl s GLU 49 Ca -0.06 -0.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.73 2rnl s GLU 49 Cb 0.08 -2.78 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 2rnl s GLU 49 CO 0.83 0.49 0.00 0.36 -0.49 0.00 0.00 175.26 176.44