#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 2.81 0.04 1.61 0.15 -1.26 -5.15 113.70 111.91 2rnl s SER 2 Ca 0.00 -0.64 -0.15 0.00 0.70 0.00 0.00 55.95 55.86 2rnl s SER 2 Cb 0.00 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 2rnl s SER 2 CO 0.00 0.15 0.33 -0.94 1.20 0.00 0.00 173.24 173.97 2rnl s SER 3 N -1.64 -0.16 -0.10 5.45 1.04 -1.26 -5.17 113.70 111.86 2rnl s SER 3 Ca 0.09 -0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.31 2rnl s SER 3 Cb -0.10 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.43 2rnl s SER 3 CO 0.04 -0.62 0.25 -0.83 0.98 0.00 0.00 173.24 173.06 2rnl s GLY 4 N -2.04 -0.17 -0.27 7.32 0.00 -1.26 -5.15 107.32 105.76 2rnl s GLY 4 Ca -0.05 0.86 -0.13 0.00 0.00 0.00 0.00 44.72 45.41 2rnl s GLY 4 CO -0.03 0.94 0.62 -0.45 0.00 0.00 0.00 173.10 174.18 2rnl s SER 5 N 0.69 -0.91 -0.24 1.64 0.15 -1.26 -5.06 113.70 108.70 2rnl s SER 5 Ca -0.05 1.42 -0.12 0.00 0.70 0.00 0.00 55.95 57.91 2rnl s SER 5 Cb -0.06 1.61 -0.10 0.00 -1.71 0.00 0.00 66.02 65.76 2rnl s SER 5 CO -0.04 -0.23 -0.32 -1.54 1.20 0.00 0.00 173.24 172.32 2rnl n SER 6 N 4.76 1.72 -4.87 5.45 3.41 -1.26 -5.00 113.62 117.84 2rnl n SER 6 Ca -0.17 0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 58.41 2rnl n SER 6 Cb 0.55 -0.72 -0.05 0.00 -0.26 0.00 0.00 64.21 63.72 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 -5.44 2.32 0.77 5.00 0.00 -1.26 -5.06 107.32 103.65 2rnl s GLY 7 Ca -0.34 -0.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.94 2rnl s GLY 7 CO 0.43 -0.13 1.23 1.25 0.00 0.00 0.00 173.10 175.88 2rnl s LYS 8 N -2.54 1.83 0.03 2.90 2.47 -1.26 -5.04 119.74 118.13 2rnl s LYS 8 Ca 0.43 1.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.68 2rnl s LYS 8 Cb -0.12 -1.79 -0.02 0.00 -1.46 0.00 0.00 37.83 34.43 2rnl s LYS 8 CO 0.21 -2.09 -0.04 0.15 0.16 0.00 0.00 175.35 173.74 2rnl s LYS 9 N -3.96 0.43 -0.00 4.03 -0.14 -1.26 -5.17 119.74 113.67 2rnl s LYS 9 Ca 0.75 -0.77 -0.03 0.00 -1.36 0.00 0.00 55.97 54.57 2rnl s LYS 9 Cb -0.31 0.01 -0.00 0.00 -1.68 0.00 0.00 37.83 35.85 2rnl s LYS 9 CO 0.48 -0.03 0.05 -0.80 -0.76 0.00 0.00 175.35 174.29 2rnl s ASN 10 N -1.77 0.06 0.36 2.83 -0.87 -1.26 -5.04 114.94 109.25 2rnl s ASN 10 Ca -0.10 -0.16 0.15 0.00 -1.57 0.00 0.00 52.86 51.18 2rnl s ASN 10 Cb -0.07 0.14 0.69 0.00 -0.02 0.00 0.00 41.25 41.99 2rnl s ASN 10 CO -0.02 -0.20 1.77 1.55 -2.57 0.00 0.00 177.10 177.63 2rnl h PRO 11 N 5.17 0.00 -1.01 -0.60 0.13 -1.99 -3.15 132.00 130.54 2rnl h PRO 11 Ca -0.28 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.13 2rnl h PRO 11 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2rnl h PRO 11 CO 0.43 0.41 0.60 0.00 -0.23 0.00 0.00 178.00 179.21 2rnl n ASN 13 N -4.93 4.68 0.09 0.00 3.02 -1.19 -2.10 115.26 114.83 2rnl n ASN 13 Ca 0.29 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 2rnl n ASN 13 Cb 0.87 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.87 3.00 0.00 5.41 0.00 0.66 -4.93 120.51 123.78 2rnl n ALA 14 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2rnl n ALA 14 Cb 0.91 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.49 2rnl n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2rnl n GLU 15 N -3.43 1.51 -0.30 0.00 2.13 -0.82 -4.73 120.64 115.00 2rnl n GLU 15 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 2rnl n GLU 15 Cb 0.02 -0.79 0.15 0.00 0.27 0.00 0.00 31.44 31.09 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2rnl n PHE 16 N -1.61 0.71 -0.31 4.31 3.01 -0.85 -4.20 117.46 118.52 2rnl n PHE 16 Ca 0.00 -0.26 -0.02 0.00 1.01 0.00 0.00 57.45 58.18 2rnl n PHE 16 Cb 0.29 -0.20 0.13 0.00 -0.01 0.00 0.00 39.48 39.69 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 1.56 1.21 -0.94 -1.08 4.15 -1.56 -1.40 115.11 117.05 2rnl h GLN 17 Ca 0.00 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.23 2rnl h GLN 17 Cb 0.92 -0.25 -0.05 0.00 0.21 0.00 0.00 27.48 28.31 2rnl h GLN 17 CO 0.15 0.85 0.10 0.09 -1.93 0.00 0.00 178.83 178.09 2rnl n ASN 18 N -4.36 2.83 -0.02 -0.69 3.02 -1.26 -4.19 115.26 110.59 2rnl n ASN 18 Ca 0.10 -2.38 -0.02 0.00 -0.03 0.00 0.00 54.58 52.25 2rnl n ASN 18 Cb 0.07 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 38.65 2rnl n ASN 18 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2rnl n PHE 19 N 0.10 0.04 -2.21 3.10 -0.00 -0.53 -4.95 117.46 113.01 2rnl n PHE 19 Ca 0.13 0.02 -0.42 0.00 -0.00 0.00 0.00 57.45 57.18 2rnl n PHE 19 Cb 0.69 -0.15 -0.03 0.00 -0.00 0.00 0.00 39.48 39.99 2rnl n PHE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2rnl n ILE 21 N 3.82 1.19 -3.72 0.00 5.41 -1.03 -4.89 119.36 120.14 2rnl n ILE 21 Ca 0.11 0.23 -0.30 0.00 1.00 0.00 0.00 62.75 63.79 2rnl n ILE 21 Cb 0.43 -2.19 -0.13 0.00 -0.71 0.00 0.00 39.64 37.03 2rnl n ILE 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2rnl s HIS 22 N -2.40 2.01 -3.88 1.39 3.76 -0.99 -5.01 115.29 110.18 2rnl s HIS 22 Ca -0.20 -2.40 0.00 0.00 -0.15 0.00 0.00 55.06 52.30 2rnl s HIS 22 Cb 0.03 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.81 2rnl s HIS 22 CO 0.30 -0.79 0.00 0.41 -0.85 0.00 0.00 174.74 173.81 2rnl n GLY 23 N 3.63 -2.47 3.79 -2.22 0.00 -1.26 -4.30 105.19 102.36 2rnl n GLY 23 Ca 0.08 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.98 4.07 -0.09 1.61 2.56 -1.20 -4.86 118.70 118.82 2rnl s GLU 24 Ca 0.00 0.31 -0.09 0.00 0.00 0.00 0.00 54.97 55.19 2rnl s GLU 24 Cb 0.00 -3.32 -0.05 0.00 2.00 0.00 0.00 34.13 32.77 2rnl s GLU 24 CO 0.00 0.46 0.22 0.00 -0.56 0.00 0.00 175.26 175.38 2rnl s LYS 26 N -1.01 0.11 0.19 0.00 2.47 -1.19 -4.98 119.74 115.33 2rnl s LYS 26 Ca 0.17 0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 54.50 2rnl s LYS 26 Cb -0.13 -1.14 -0.08 0.00 -1.46 0.00 0.00 37.83 35.01 2rnl s LYS 26 CO 0.07 -0.57 1.28 -0.47 0.16 0.00 0.00 175.35 175.82 2rnl s TYR 27 N 2.27 3.30 -0.31 4.03 5.04 -1.26 -3.70 117.35 126.71 2rnl s TYR 27 Ca 0.05 1.27 -0.13 0.00 -2.44 0.00 0.00 57.07 55.82 2rnl s TYR 27 Cb -0.15 -3.55 -0.03 0.00 0.35 0.00 0.00 41.96 38.58 2rnl s TYR 27 CO -0.10 -1.69 0.27 0.42 -1.34 0.00 0.00 175.55 173.11 2rnl s ILE 28 N 0.10 5.25 -0.08 3.14 -1.09 0.14 -4.98 121.20 123.69 2rnl s ILE 28 Ca 0.56 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 59.00 2rnl s ILE 28 Cb -0.35 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 2rnl s ILE 28 CO 0.37 0.07 -0.08 -0.08 -1.23 0.00 0.00 174.94 174.00 2rnl h GLU 29 N 8.41 0.00 -0.96 2.79 4.22 -1.94 0.16 114.58 127.25 2rnl h GLU 29 Ca -0.32 0.00 0.38 0.00 0.08 0.00 0.00 59.36 59.49 2rnl h GLU 29 Cb 1.16 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 2rnl h GLU 29 CO 0.62 0.00 0.41 -2.39 -2.18 0.00 0.00 179.01 175.48 2rnl n HIS 30 N -3.68 1.02 -0.00 0.92 1.44 -1.26 0.11 115.22 113.77 2rnl n HIS 30 Ca -0.03 1.14 0.05 0.00 -2.01 0.00 0.00 57.72 56.87 2rnl n HIS 30 Cb 0.12 -1.47 -0.13 0.00 0.12 0.00 0.00 29.99 28.63 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 -5.23 0.27 -2.60 2.39 4.77 -1.26 -5.01 117.00 110.33 2rnl n LEU 31 Ca 0.34 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2rnl n LEU 31 Cb 1.14 0.10 0.06 0.00 -2.33 0.00 0.00 43.42 42.38 2rnl n LEU 31 CO -0.01 0.09 0.06 -0.62 -1.33 0.00 0.00 177.39 175.58 2rnl n GLU 32 N -2.52 -3.85 -4.14 3.23 1.02 0.30 -5.05 120.64 109.63 2rnl n GLU 32 Ca -0.10 0.56 -0.11 0.00 -0.02 0.00 0.00 57.16 57.49 2rnl n GLU 32 Cb 0.72 -4.64 -0.09 0.00 -0.02 0.00 0.00 31.44 27.41 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 -3.24 0.83 -0.06 0.62 0.00 0.31 -4.98 121.76 115.24 2rnl s ALA 33 Ca 0.05 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2rnl s ALA 33 Cb -0.01 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.20 2rnl s ALA 33 CO 0.48 -0.57 -0.10 0.08 0.00 0.00 0.00 175.76 175.64 2rnl s VAL 34 N -4.09 3.44 0.11 0.00 1.01 -1.26 0.25 120.40 119.86 2rnl s VAL 34 Ca 0.30 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 2rnl s VAL 34 Cb 0.06 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2rnl s VAL 34 CO 0.07 0.60 0.03 0.28 0.00 0.00 0.00 175.10 176.08 2rnl s THR 35 N -0.78 0.13 -0.19 3.92 -1.32 -1.24 -4.98 115.64 111.19 2rnl s THR 35 Ca 0.12 -1.89 -0.04 0.00 -1.21 0.00 0.00 61.69 58.68 2rnl s THR 35 Cb -0.11 -1.91 0.06 0.00 -1.51 0.00 0.00 72.50 69.03 2rnl s THR 35 CO 0.01 -0.60 0.06 0.00 -2.21 0.00 0.00 174.62 171.88 2rnl s LYS 37 N 1.98 2.24 -0.06 0.00 -0.14 0.80 -4.63 119.74 119.92 2rnl s LYS 37 Ca 0.01 1.51 0.03 0.00 -1.36 0.00 0.00 55.97 56.16 2rnl s LYS 37 Cb -0.17 -1.87 0.01 0.00 -1.68 0.00 0.00 37.83 34.12 2rnl s LYS 37 CO -0.09 -1.70 -0.14 0.00 -0.76 0.00 0.00 175.35 172.65 2rnl s GLN 39 N 0.52 2.41 0.42 0.00 -1.52 -1.26 -4.74 119.66 115.50 2rnl s GLN 39 Ca -0.13 1.87 0.31 0.00 -1.95 0.00 0.00 55.36 55.47 2rnl s GLN 39 Cb -0.15 -1.85 1.40 0.00 -0.22 0.00 0.00 33.01 32.18 2rnl s GLN 39 CO 0.04 -1.65 1.44 0.94 -0.25 0.00 0.00 175.29 175.81 2rnl n GLN 40 N -2.26 -0.03 0.11 2.91 7.27 -1.26 0.22 117.38 124.34 2rnl n GLN 40 Ca 0.14 1.14 -0.23 0.00 0.07 0.00 0.00 57.00 58.12 2rnl n GLN 40 Cb 0.49 -2.28 -0.14 0.00 2.41 0.00 0.00 30.24 30.72 2rnl n GLN 40 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2rnl h GLU 41 N 0.00 0.60 -6.98 3.69 3.07 -1.98 -3.46 114.58 109.51 2rnl h GLU 41 Ca 0.82 -0.87 -0.45 0.00 -0.50 0.00 0.00 59.36 58.36 2rnl h GLU 41 Cb 2.70 0.30 0.05 0.00 -0.84 0.00 0.00 28.75 30.96 2rnl h GLU 41 CO -0.40 1.41 0.06 0.71 -1.40 0.00 0.00 179.01 179.39 2rnl s TYR 42 N -2.84 2.96 -0.27 4.33 1.51 0.58 -4.36 117.35 119.26 2rnl s TYR 42 Ca -0.09 0.22 -0.27 0.00 -1.01 0.00 0.00 57.07 55.92 2rnl s TYR 42 Cb 0.05 -2.83 0.16 0.00 -0.11 0.00 0.00 41.96 39.23 2rnl s TYR 42 CO 0.94 -0.96 1.21 -0.59 -1.11 0.00 0.00 175.55 175.04 2rnl s PHE 43 N -2.90 -0.25 0.00 2.71 -0.12 -1.02 -4.02 117.98 112.38 2rnl s PHE 43 Ca 0.57 0.55 0.00 0.00 -0.05 0.00 0.00 56.93 58.00 2rnl s PHE 43 Cb -0.10 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 2rnl s PHE 43 CO 0.41 -0.15 0.00 0.41 -0.05 0.00 0.00 175.22 175.84 2rnl n GLY 44 N 1.47 4.00 0.28 1.99 0.00 -1.26 -4.19 105.19 107.48 2rnl n GLY 44 Ca -0.09 -1.45 0.27 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.19 -0.05 -0.08 1.61 4.07 -1.26 0.10 120.64 123.84 2rnl n GLU 45 Ca 0.00 1.14 -0.10 0.00 -0.06 0.00 0.00 57.16 58.14 2rnl n GLU 45 Cb 0.00 -2.07 -0.16 0.00 -0.06 0.00 0.00 31.44 29.16 2rnl n GLU 45 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2rnl n ARG 46 N -4.84 0.68 -2.77 5.31 1.74 -1.26 -3.88 116.66 111.64 2rnl n ARG 46 Ca 0.32 0.06 -0.08 0.00 -0.77 0.00 0.00 57.85 57.38 2rnl n ARG 46 Cb 1.09 -1.58 0.03 0.00 -1.02 0.00 0.00 32.46 30.99 2rnl n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rnl h GLY 48 N -0.88 0.33 -3.04 0.00 0.00 -1.84 -2.61 103.07 95.03 2rnl h GLY 48 Ca -0.21 -0.85 -0.51 0.00 0.00 0.00 0.00 47.33 45.77 2rnl h GLY 48 CO 0.19 0.74 -0.02 -0.54 0.00 0.00 0.00 176.54 176.91 2rnl s GLU 49 N -2.56 3.77 0.00 4.80 8.01 -1.26 -4.86 118.70 126.59 2rnl s GLU 49 Ca -0.20 0.31 0.00 0.00 0.01 0.00 0.00 54.97 55.08 2rnl s GLU 49 Cb 0.06 -2.54 0.00 0.00 -4.31 0.00 0.00 34.13 27.34 2rnl s GLU 49 CO 0.79 0.16 0.08 0.36 0.01 0.00 0.00 175.26 176.66