#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 5.84 -0.18 1.61 0.01 -1.26 -5.03 113.70 114.69 2rnl s SER 2 Ca 0.00 0.12 -0.38 0.00 1.31 0.00 0.00 55.95 57.00 2rnl s SER 2 Cb 0.00 -1.68 -0.15 0.00 0.21 0.00 0.00 66.02 64.40 2rnl s SER 2 CO 0.00 0.20 1.70 -1.20 0.41 0.00 0.00 173.24 174.35 2rnl n SER 3 N 0.59 2.48 -3.50 2.44 7.64 -1.26 -4.83 113.62 117.18 2rnl n SER 3 Ca -0.09 1.06 -0.40 0.00 1.01 0.00 0.00 58.87 60.46 2rnl n SER 3 Cb 0.52 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.51 2rnl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rnl n GLY 4 N 3.96 4.73 3.63 0.23 0.00 -1.26 -4.92 105.19 111.57 2rnl n GLY 4 Ca 0.24 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.21 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 1.37 4.53 0.32 1.61 1.04 -1.26 -5.09 113.70 116.21 2rnl s SER 5 Ca 0.57 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.12 2rnl s SER 5 Cb 0.17 -0.85 -0.11 0.00 0.10 0.00 0.00 66.02 65.33 2rnl s SER 5 CO -0.07 0.03 1.46 -0.44 0.98 0.00 0.00 173.24 175.21 2rnl s SER 6 N -3.40 6.50 1.00 7.02 0.01 -1.26 -5.01 113.70 118.56 2rnl s SER 6 Ca 0.30 2.87 -0.01 0.00 1.31 0.00 0.00 55.95 60.42 2rnl s SER 6 Cb -0.07 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.53 2rnl s SER 6 CO 0.19 -0.78 0.12 0.61 0.41 0.00 0.00 173.24 173.79 2rnl n GLY 7 N 1.28 -1.17 3.46 3.44 0.00 -1.26 -5.12 105.19 105.81 2rnl n GLY 7 Ca 0.04 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.25 1.36 -0.70 1.61 -2.85 -1.26 -5.08 119.74 109.57 2rnl s LYS 8 Ca 0.07 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 53.50 2rnl s LYS 8 Cb -0.00 0.42 -0.15 0.00 -2.06 0.00 0.00 37.83 36.04 2rnl s LYS 8 CO 0.05 -0.53 2.49 1.17 0.10 0.00 0.00 175.35 178.62 2rnl n LYS 9 N -0.31 0.50 -1.83 1.78 4.81 -1.26 -4.86 118.16 116.99 2rnl n LYS 9 Ca -0.04 0.05 -0.39 0.00 -0.87 0.00 0.00 58.31 57.06 2rnl n LYS 9 Cb 0.63 -2.25 0.02 0.00 0.02 0.00 0.00 35.03 33.45 2rnl n LYS 9 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2rnl s ASN 10 N 9.46 5.74 0.36 3.14 -0.87 -1.26 -4.92 114.94 126.59 2rnl s ASN 10 Ca 1.19 2.83 0.15 0.00 -1.57 0.00 0.00 52.86 55.46 2rnl s ASN 10 Cb -0.88 -2.65 0.66 0.00 -0.02 0.00 0.00 41.25 38.36 2rnl s ASN 10 CO 0.43 -1.26 1.76 1.55 -2.57 0.00 0.00 177.10 177.02 2rnl h PRO 11 N 2.08 0.00 -0.97 -0.60 0.13 -1.97 -2.89 132.00 127.78 2rnl h PRO 11 Ca -0.51 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.85 2rnl h PRO 11 Cb 1.27 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.32 2rnl h PRO 11 CO 0.60 0.42 0.63 0.00 -0.23 0.00 0.00 178.00 179.42 2rnl n ASN 13 N -4.58 3.22 -0.06 0.00 0.23 -1.17 -1.24 115.26 111.66 2rnl n ASN 13 Ca 0.22 -2.44 -0.11 0.00 -0.53 0.00 0.00 54.58 51.72 2rnl n ASN 13 Cb 0.75 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 38.06 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rnl n ALA 14 N -0.04 1.58 0.00 -2.53 0.00 0.62 -4.78 120.51 115.36 2rnl n ALA 14 Ca 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2rnl n ALA 14 Cb 0.61 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.20 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 -4.09 2.71 -0.43 0.00 4.71 -0.41 -4.70 120.64 118.43 2rnl n GLU 15 Ca -0.18 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.00 2rnl n GLU 15 Cb 0.49 -0.85 0.20 0.00 -1.01 0.00 0.00 31.44 30.27 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 -1.56 1.01 -0.31 -0.32 3.01 -0.50 -4.34 117.46 114.44 2rnl n PHE 16 Ca 0.00 -0.36 0.03 0.00 1.01 0.00 0.00 57.45 58.14 2rnl n PHE 16 Cb 0.35 -0.28 0.18 0.00 -0.01 0.00 0.00 39.48 39.71 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 2.03 0.83 0.01 -1.08 4.15 -1.33 -2.46 115.11 117.26 2rnl h GLN 17 Ca 0.00 -0.05 -0.29 0.00 0.77 0.00 0.00 58.65 59.08 2rnl h GLN 17 Cb 1.19 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.64 2rnl h GLN 17 CO 0.23 0.55 -1.67 -0.91 -1.93 0.00 0.00 178.83 175.10 2rnl h ASN 18 N 0.86 0.02 -0.89 -0.69 2.35 -1.84 -3.37 115.58 112.02 2rnl h ASN 18 Ca 0.41 -0.04 0.26 0.00 -0.55 0.00 0.00 56.30 56.39 2rnl h ASN 18 Cb 0.36 -0.01 -0.16 0.00 0.05 0.00 0.00 38.32 38.56 2rnl h ASN 18 CO -0.24 1.03 0.08 0.33 -1.65 0.00 0.00 177.43 176.98 2rnl n PHE 19 N -3.08 0.63 -3.69 1.19 7.35 -0.93 -2.81 117.46 116.12 2rnl n PHE 19 Ca -0.16 1.07 -0.38 0.00 -0.76 0.00 0.00 57.45 57.22 2rnl n PHE 19 Cb 1.05 -1.20 -0.09 0.00 0.35 0.00 0.00 39.48 39.58 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 5.52 0.00 -3.48 0.00 2.04 -1.35 -3.41 117.51 116.83 2rnl h ILE 21 Ca -0.04 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.23 2rnl h ILE 21 Cb 0.99 0.00 -0.39 0.00 -0.74 0.00 0.00 36.82 36.68 2rnl h ILE 21 CO 0.73 0.00 -0.77 -1.00 0.00 0.00 0.00 178.15 177.10 2rnl s HIS 22 N -5.14 2.04 0.00 1.37 3.76 -0.95 -5.04 115.29 111.32 2rnl s HIS 22 Ca -0.14 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.16 2rnl s HIS 22 Cb 0.03 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.17 2rnl s HIS 22 CO 0.45 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 2rnl n GLY 23 N 4.77 2.36 3.66 -2.22 0.00 -1.26 -4.45 105.19 108.05 2rnl n GLY 23 Ca -0.09 -1.00 -0.42 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 4.26 -0.14 1.61 2.56 -0.93 -4.87 118.70 119.19 2rnl s GLU 24 Ca 0.00 1.02 -0.09 0.00 0.00 0.00 0.00 54.97 55.90 2rnl s GLU 24 Cb 0.00 -3.60 -0.05 0.00 2.00 0.00 0.00 34.13 32.49 2rnl s GLU 24 CO 0.00 -0.40 0.17 0.00 -0.56 0.00 0.00 175.26 174.47 2rnl s LYS 26 N -0.41 0.10 0.19 0.00 2.47 -0.57 -5.01 119.74 116.50 2rnl s LYS 26 Ca 0.13 -0.15 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 2rnl s LYS 26 Cb -0.12 -1.64 -0.08 0.00 -1.46 0.00 0.00 37.83 34.52 2rnl s LYS 26 CO 0.03 -0.74 1.27 -0.47 0.16 0.00 0.00 175.35 175.59 2rnl s TYR 27 N 2.15 3.32 -0.29 4.03 5.04 -1.26 -3.36 117.35 126.97 2rnl s TYR 27 Ca 0.04 1.30 -0.11 0.00 -2.44 0.00 0.00 57.07 55.86 2rnl s TYR 27 Cb -0.16 -3.54 -0.04 0.00 0.35 0.00 0.00 41.96 38.57 2rnl s TYR 27 CO -0.15 -1.63 0.19 0.42 -1.34 0.00 0.00 175.55 173.05 2rnl s ILE 28 N 0.05 5.23 -0.08 3.14 -1.09 0.14 -4.99 121.20 123.60 2rnl s ILE 28 Ca 0.55 0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.99 2rnl s ILE 28 Cb -0.35 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2rnl s ILE 28 CO 0.38 0.20 -0.08 -0.33 -1.23 0.00 0.00 174.94 173.88 2rnl h GLU 29 N 8.38 0.00 -1.76 2.79 5.08 -1.94 0.24 114.58 127.38 2rnl h GLU 29 Ca -0.34 0.00 0.53 0.00 -1.00 0.00 0.00 59.36 58.55 2rnl h GLU 29 Cb 1.18 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2rnl h GLU 29 CO 0.57 0.00 1.23 -2.39 -1.00 0.00 0.00 179.01 177.42 2rnl n HIS 30 N -3.72 0.21 0.09 4.33 1.44 -1.26 0.19 115.22 116.50 2rnl n HIS 30 Ca -0.03 0.22 0.07 0.00 -2.01 0.00 0.00 57.72 55.96 2rnl n HIS 30 Cb 0.12 -0.68 -0.10 0.00 0.12 0.00 0.00 29.99 29.45 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 -4.12 0.09 -3.19 2.39 4.77 -1.26 -5.02 117.00 110.66 2rnl n LEU 31 Ca 0.42 -0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 56.15 2rnl n LEU 31 Cb 1.84 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 43.01 2rnl n LEU 31 CO 0.36 0.02 0.15 -0.62 -1.33 0.00 0.00 177.39 175.97 2rnl n GLU 32 N -1.88 -6.39 -4.13 3.23 1.02 0.50 -5.02 120.64 107.96 2rnl n GLU 32 Ca -0.02 0.75 -0.11 0.00 -0.02 0.00 0.00 57.16 57.76 2rnl n GLU 32 Cb 0.34 -5.50 -0.10 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 -3.30 0.83 -0.06 0.62 0.00 0.39 -4.98 121.76 115.26 2rnl s ALA 33 Ca 0.22 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2rnl s ALA 33 Cb -0.10 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2rnl s ALA 33 CO 0.65 -0.19 0.22 0.08 0.00 0.00 0.00 175.76 176.52 2rnl s VAL 34 N -3.04 5.37 0.02 0.00 1.01 -1.26 0.23 120.40 122.73 2rnl s VAL 34 Ca 0.05 0.27 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 2rnl s VAL 34 Cb 0.01 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2rnl s VAL 34 CO -0.04 0.52 0.21 0.28 0.00 0.00 0.00 175.10 176.07 2rnl s THR 35 N -1.14 0.09 -0.05 3.92 -1.32 -1.21 -4.94 115.64 110.99 2rnl s THR 35 Ca 0.21 -0.75 -0.05 0.00 -1.21 0.00 0.00 61.69 59.89 2rnl s THR 35 Cb -0.13 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 70.14 2rnl s THR 35 CO 0.10 -0.41 0.14 0.00 -2.21 0.00 0.00 174.62 172.24 2rnl s LYS 37 N -0.13 3.87 -0.14 0.00 1.02 0.26 -4.96 119.74 119.65 2rnl s LYS 37 Ca -0.02 -0.36 -0.19 0.00 0.02 0.00 0.00 55.97 55.41 2rnl s LYS 37 Cb -0.02 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2rnl s LYS 37 CO 0.00 -0.15 0.54 0.00 -0.92 0.00 0.00 175.35 174.83 2rnl n GLN 39 N 4.15 -0.05 -0.33 0.00 6.02 -1.26 -4.70 117.38 121.22 2rnl n GLN 39 Ca -0.05 0.05 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 2rnl n GLN 39 Cb 0.51 -2.12 0.39 0.00 1.02 0.00 0.00 30.24 30.04 2rnl n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rnl n GLN 40 N -2.40 -0.07 -0.11 -1.09 -0.00 -1.26 0.11 117.38 112.56 2rnl n GLN 40 Ca 0.10 1.42 -0.11 0.00 -0.00 0.00 0.00 57.00 58.41 2rnl n GLN 40 Cb 0.52 -2.35 -0.03 0.00 -0.00 0.00 0.00 30.24 28.37 2rnl n GLN 40 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2rnl h GLU 41 N 0.00 0.57 -7.12 2.61 4.11 -1.95 -3.44 114.58 109.36 2rnl h GLU 41 Ca 0.67 -0.19 -0.49 0.00 0.07 0.00 0.00 59.36 59.42 2rnl h GLU 41 Cb 1.56 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 30.79 2rnl h GLU 41 CO -0.86 0.72 0.29 0.71 0.07 0.00 0.00 179.01 179.94 2rnl s TYR 42 N -4.93 3.52 -0.04 2.06 2.02 0.29 -3.89 117.35 116.39 2rnl s TYR 42 Ca -0.13 1.22 -0.29 0.00 -0.37 0.00 0.00 57.07 57.50 2rnl s TYR 42 Cb 0.09 -2.62 0.09 0.00 -0.40 0.00 0.00 41.96 39.12 2rnl s TYR 42 CO 0.77 -0.39 0.79 -0.59 -1.57 0.00 0.00 175.55 174.56 2rnl s PHE 43 N -2.75 -0.51 0.00 2.71 -0.12 -0.99 -4.16 117.98 112.17 2rnl s PHE 43 Ca 0.54 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 58.14 2rnl s PHE 43 Cb -0.10 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 2rnl s PHE 43 CO 0.40 -0.56 0.00 0.41 -0.05 0.00 0.00 175.22 175.42 2rnl n GLY 44 N 0.47 2.31 0.33 1.99 0.00 -1.26 -4.45 105.19 104.58 2rnl n GLY 44 Ca -0.15 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 1.74 -0.23 -3.18 1.61 2.13 -1.26 -2.84 120.64 118.60 2rnl n GLU 45 Ca 0.00 1.28 -0.46 0.00 0.66 0.00 0.00 57.16 58.64 2rnl n GLU 45 Cb 0.00 -1.90 -0.03 0.00 0.27 0.00 0.00 31.44 29.79 2rnl n GLU 45 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2rnl s ARG 46 N -5.72 3.49 -0.23 5.31 0.52 -1.26 -4.86 118.95 116.20 2rnl s ARG 46 Ca -0.11 -2.06 -0.39 0.00 -0.52 0.00 0.00 55.73 52.65 2rnl s ARG 46 Cb 0.16 -4.54 -0.15 0.00 0.52 0.00 0.00 34.95 30.94 2rnl s ARG 46 CO 0.58 -1.47 1.76 0.00 0.02 0.00 0.00 175.30 176.19 2rnl n GLY 48 N 4.19 -0.31 3.74 0.00 0.00 -1.26 -2.25 105.19 109.30 2rnl n GLY 48 Ca 0.26 0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 4.77 0.00 1.61 2.02 -1.26 -4.90 118.70 118.94 2rnl s GLU 49 Ca 0.00 1.51 0.00 0.00 0.02 0.00 0.00 54.97 56.50 2rnl s GLU 49 Cb 0.00 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2rnl s GLU 49 CO 0.00 0.36 0.00 0.36 0.02 0.00 0.00 175.26 176.00