#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 -1.16 -3.60 1.61 7.64 -1.26 -4.89 113.62 111.96 2rnl n SER 2 Ca 0.00 -1.18 -0.14 0.00 1.01 0.00 0.00 58.87 58.56 2rnl n SER 2 Cb 0.00 -1.50 -0.13 0.00 -1.01 0.00 0.00 64.21 61.57 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 -3.37 0.59 0.00 6.43 0.01 -1.26 -5.03 113.70 111.07 2rnl s SER 3 Ca 0.62 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2rnl s SER 3 Cb -0.36 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2rnl s SER 3 CO 0.96 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.96 2rnl n GLY 4 N 5.34 -2.00 0.13 3.44 0.00 -1.26 -4.99 105.19 105.86 2rnl n GLY 4 Ca -0.06 0.60 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 2rnl n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2rnl h SER 5 N 0.00 -0.26 -2.42 1.61 4.64 -2.04 -3.40 113.55 111.68 2rnl h SER 5 Ca 0.00 0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.82 2rnl h SER 5 Cb 0.00 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2rnl h SER 5 CO 0.00 -0.11 1.25 -0.44 -0.87 0.00 0.00 176.83 176.65 2rnl s SER 6 N -5.13 6.22 0.00 4.97 0.01 -1.26 -4.62 113.70 113.90 2rnl s SER 6 Ca -0.14 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.26 2rnl s SER 6 Cb 0.09 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2rnl s SER 6 CO 0.68 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2rnl n GLY 7 N 4.81 1.31 2.81 3.44 0.00 -1.26 -5.03 105.19 111.27 2rnl n GLY 7 Ca 0.22 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2rnl n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rnl s LYS 8 N 0.00 0.89 -0.40 1.61 1.02 -1.26 -5.09 119.74 116.51 2rnl s LYS 8 Ca 0.00 -0.03 -0.23 0.00 0.02 0.00 0.00 55.97 55.73 2rnl s LYS 8 Cb 0.00 -1.22 0.02 0.00 -0.52 0.00 0.00 37.83 36.11 2rnl s LYS 8 CO 0.00 -0.31 0.76 0.15 -0.92 0.00 0.00 175.35 175.03 2rnl s LYS 9 N 1.88 3.58 0.24 1.68 1.02 -1.26 -5.04 119.74 121.84 2rnl s LYS 9 Ca 0.05 0.07 -0.22 0.00 0.02 0.00 0.00 55.97 55.89 2rnl s LYS 9 Cb -0.13 -3.87 -0.09 0.00 -0.52 0.00 0.00 37.83 33.23 2rnl s LYS 9 CO -0.06 -0.95 0.78 -0.80 -0.92 0.00 0.00 175.35 173.40 2rnl s ASN 10 N 1.96 7.16 0.35 2.83 -0.87 -1.26 -4.98 114.94 120.13 2rnl s ASN 10 Ca 0.29 1.54 0.14 0.00 -1.57 0.00 0.00 52.86 53.26 2rnl s ASN 10 Cb -0.13 -2.46 0.65 0.00 -0.02 0.00 0.00 41.25 39.29 2rnl s ASN 10 CO 0.19 0.03 1.76 1.55 -2.57 0.00 0.00 177.10 178.06 2rnl h PRO 11 N 3.45 0.00 -0.84 -0.60 0.13 -1.98 -3.00 132.00 129.16 2rnl h PRO 11 Ca -0.48 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.86 2rnl h PRO 11 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2rnl h PRO 11 CO 0.65 0.43 0.57 0.00 -0.23 0.00 0.00 178.00 179.42 2rnl n ASN 13 N -4.44 3.29 -0.01 0.00 0.23 -1.15 -1.71 115.26 111.48 2rnl n ASN 13 Ca 0.17 -2.35 -0.01 0.00 -0.53 0.00 0.00 54.58 51.87 2rnl n ASN 13 Cb 0.72 -0.34 -0.00 0.00 -2.08 0.00 0.00 39.78 38.08 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 0.19 0.99 0.00 -2.53 0.00 0.80 -4.85 120.51 115.12 2rnl n ALA 14 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2rnl n ALA 14 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -2.75 1.53 -0.47 0.00 4.07 -0.70 -4.66 120.64 117.65 2rnl n GLU 15 Ca -0.01 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.13 2rnl n GLU 15 Cb 0.05 -0.92 0.22 0.00 -0.06 0.00 0.00 31.44 30.74 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 -1.36 1.10 -0.22 4.31 3.01 -0.30 -4.25 117.46 119.76 2rnl n PHE 16 Ca 0.00 -0.39 -0.08 0.00 1.01 0.00 0.00 57.45 57.99 2rnl n PHE 16 Cb 0.09 -0.30 0.06 0.00 -0.01 0.00 0.00 39.48 39.32 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 2.27 1.07 0.00 -1.08 -0.00 -1.47 -2.67 115.11 113.23 2rnl h GLN 17 Ca 0.00 -0.29 -0.10 0.00 -0.00 0.00 0.00 58.65 58.25 2rnl h GLN 17 Cb 1.25 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.59 2rnl h GLN 17 CO 0.25 1.00 -0.48 -2.95 0.00 0.00 0.00 178.83 176.64 2rnl h ASN 18 N 1.00 0.00 -0.10 -0.69 -1.07 -1.85 -3.31 115.58 109.56 2rnl h ASN 18 Ca 0.19 0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.59 2rnl h ASN 18 Cb 0.46 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.66 2rnl h ASN 18 CO 0.02 0.48 -0.47 0.15 0.07 0.00 0.00 177.43 177.68 2rnl h PHE 19 N 0.00 -1.40 -3.56 4.14 3.04 -1.75 -3.36 116.94 114.05 2rnl h PHE 19 Ca -0.00 0.05 -0.62 0.00 3.98 0.00 0.00 57.97 61.38 2rnl h PHE 19 Cb 1.07 0.62 -0.12 0.00 2.56 0.00 0.00 35.95 40.08 2rnl h PHE 19 CO 0.00 -0.48 0.29 0.00 -2.02 0.00 0.00 178.31 176.11 2rnl n ILE 21 N 5.78 1.45 -3.87 0.00 5.41 -1.23 -4.77 119.36 122.13 2rnl n ILE 21 Ca 0.01 0.16 -0.29 0.00 1.00 0.00 0.00 62.75 63.64 2rnl n ILE 21 Cb 0.48 -2.32 -0.12 0.00 -0.71 0.00 0.00 39.64 36.97 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 -2.32 3.23 0.00 1.39 3.76 -1.11 -5.02 115.29 115.21 2rnl s HIS 22 Ca -0.19 -3.18 0.00 0.00 -0.15 0.00 0.00 55.06 51.54 2rnl s HIS 22 Cb 0.03 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.16 2rnl s HIS 22 CO 0.30 -0.62 0.00 0.41 -0.85 0.00 0.00 174.74 173.98 2rnl n GLY 23 N 2.38 0.25 3.72 -2.22 0.00 -1.26 -4.37 105.19 103.69 2rnl n GLY 23 Ca 0.16 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 4.37 -0.10 1.61 2.12 0.07 -4.85 118.70 119.92 2rnl s GLU 24 Ca 0.00 0.61 -0.10 0.00 0.36 0.00 0.00 54.97 55.84 2rnl s GLU 24 Cb 0.00 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2rnl s GLU 24 CO 0.00 0.15 0.23 0.00 -0.54 0.00 0.00 175.26 175.10 2rnl s LYS 26 N -0.66 0.17 -0.05 0.00 2.47 -1.21 -4.97 119.74 115.48 2rnl s LYS 26 Ca 0.17 0.20 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 2rnl s LYS 26 Cb -0.13 -1.22 -0.04 0.00 -1.46 0.00 0.00 37.83 34.98 2rnl s LYS 26 CO 0.06 -0.63 1.25 -0.47 0.16 0.00 0.00 175.35 175.72 2rnl s TYR 27 N 2.30 3.07 -0.28 4.03 5.04 -1.26 -3.73 117.35 126.53 2rnl s TYR 27 Ca 0.06 1.10 -0.22 0.00 -2.44 0.00 0.00 57.07 55.57 2rnl s TYR 27 Cb -0.16 -3.49 -0.01 0.00 0.35 0.00 0.00 41.96 38.66 2rnl s TYR 27 CO -0.11 -1.62 0.70 0.42 -1.34 0.00 0.00 175.55 173.60 2rnl s ILE 28 N 2.39 4.90 -0.13 3.14 -1.09 0.93 -4.95 121.20 126.38 2rnl s ILE 28 Ca 0.58 1.15 -0.08 0.00 -2.23 0.00 0.00 60.65 60.07 2rnl s ILE 28 Cb -0.26 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 2rnl s ILE 28 CO 0.22 -0.10 -0.05 -0.08 -1.23 0.00 0.00 174.94 173.71 2rnl h GLU 29 N 7.98 0.00 -0.94 2.79 4.22 -1.94 0.42 114.58 127.11 2rnl h GLU 29 Ca -0.26 0.00 0.27 0.00 0.08 0.00 0.00 59.36 59.46 2rnl h GLU 29 Cb 1.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 2rnl h GLU 29 CO 0.82 0.13 1.17 1.12 -2.18 0.00 0.00 179.01 180.07 2rnl h HIS 30 N -1.00 0.00 0.00 0.92 2.07 -1.98 1.17 115.15 116.34 2rnl h HIS 30 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2rnl h HIS 30 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 2rnl h HIS 30 CO -0.10 0.00 -0.59 1.28 -3.07 0.00 0.00 177.93 175.45 2rnl n LEU 31 N -3.22 0.04 -3.37 6.12 4.77 -1.26 -5.03 117.00 115.05 2rnl n LEU 31 Ca 0.21 -0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.75 2rnl n LEU 31 Cb 1.46 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.63 2rnl n LEU 31 CO 0.22 0.01 0.17 -0.62 -1.33 0.00 0.00 177.39 175.84 2rnl n GLU 32 N -1.30 -6.92 -4.42 3.23 1.02 0.40 -5.01 120.64 107.63 2rnl n GLU 32 Ca -0.00 0.80 -0.21 0.00 -0.02 0.00 0.00 57.16 57.73 2rnl n GLU 32 Cb 0.04 -5.70 -0.10 0.00 -0.02 0.00 0.00 31.44 25.65 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 -3.32 2.29 0.06 0.62 0.00 0.80 -4.98 121.76 117.23 2rnl s ALA 33 Ca 0.27 -1.85 0.08 0.00 0.00 0.00 0.00 51.96 50.46 2rnl s ALA 33 Cb -0.12 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2rnl s ALA 33 CO 0.69 -0.36 -0.19 0.08 0.00 0.00 0.00 175.76 175.99 2rnl s VAL 34 N -3.41 2.76 0.11 0.00 1.01 -1.26 -0.05 120.40 119.56 2rnl s VAL 34 Ca 0.34 -1.30 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 2rnl s VAL 34 Cb 0.07 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2rnl s VAL 34 CO 0.15 0.27 0.18 0.28 0.00 0.00 0.00 175.10 175.98 2rnl s THR 35 N -0.98 0.13 -0.25 3.92 -1.32 -1.24 -4.95 115.64 110.94 2rnl s THR 35 Ca 0.15 -1.37 -0.00 0.00 -1.21 0.00 0.00 61.69 59.26 2rnl s THR 35 Cb -0.10 -1.56 0.07 0.00 -1.51 0.00 0.00 72.50 69.40 2rnl s THR 35 CO 0.06 -0.58 0.02 0.00 -2.21 0.00 0.00 174.62 171.92 2rnl s LYS 37 N 1.55 3.25 -0.06 0.00 2.47 0.21 -4.77 119.74 122.39 2rnl s LYS 37 Ca 0.01 1.10 -0.19 0.00 -1.56 0.00 0.00 55.97 55.33 2rnl s LYS 37 Cb -0.18 -4.19 -0.05 0.00 -1.46 0.00 0.00 37.83 31.95 2rnl s LYS 37 CO -0.12 -1.97 0.52 0.00 0.16 0.00 0.00 175.35 173.94 2rnl n GLN 39 N 3.08 0.89 -0.29 0.00 6.02 -1.26 -4.75 117.38 121.07 2rnl n GLN 39 Ca -0.08 0.36 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 2rnl n GLN 39 Cb 0.51 -2.39 0.18 0.00 1.02 0.00 0.00 30.24 29.56 2rnl n GLN 39 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2rnl n GLN 40 N -1.82 -0.07 -0.11 -1.09 7.27 -1.26 0.15 117.38 120.45 2rnl n GLN 40 Ca 0.15 1.24 -0.11 0.00 0.07 0.00 0.00 57.00 58.35 2rnl n GLN 40 Cb 0.48 -1.92 -0.03 0.00 2.41 0.00 0.00 30.24 31.19 2rnl n GLN 40 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 2rnl h GLU 41 N 0.00 0.58 -7.60 3.69 4.11 -1.92 -3.44 114.58 110.01 2rnl h GLU 41 Ca 0.44 -0.19 -0.46 0.00 0.07 0.00 0.00 59.36 59.23 2rnl h GLU 41 Cb 0.82 -0.05 0.12 0.00 0.50 0.00 0.00 28.75 30.14 2rnl h GLU 41 CO -0.80 0.71 0.36 0.71 0.07 0.00 0.00 179.01 180.06 2rnl s TYR 42 N -4.98 2.47 0.00 2.06 2.02 0.40 -4.21 117.35 115.12 2rnl s TYR 42 Ca -0.13 0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 56.98 2rnl s TYR 42 Cb 0.09 -3.56 0.11 0.00 -0.40 0.00 0.00 41.96 38.20 2rnl s TYR 42 CO 0.77 -2.22 1.26 -0.59 -1.57 0.00 0.00 175.55 173.20 2rnl s PHE 43 N -3.50 -0.02 0.00 2.71 -0.12 -1.21 -4.37 117.98 111.47 2rnl s PHE 43 Ca 0.65 -0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 2rnl s PHE 43 Cb -0.11 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2rnl s PHE 43 CO 0.51 -0.34 0.00 0.41 -0.05 0.00 0.00 175.22 175.76 2rnl n GLY 44 N -0.60 0.44 0.37 1.99 0.00 -1.26 -4.21 105.19 101.92 2rnl n GLY 44 Ca -0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 46.02 44.34 2rnl n GLY 44 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rnl n GLU 45 N 0.77 -0.29 -3.44 1.61 4.71 -1.26 -2.87 120.64 119.87 2rnl n GLU 45 Ca 0.00 1.40 -0.44 0.00 -0.01 0.00 0.00 57.16 58.11 2rnl n GLU 45 Cb 0.00 -2.08 -0.04 0.00 -1.01 0.00 0.00 31.44 28.31 2rnl n GLU 45 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2rnl s ARG 46 N -5.71 3.33 0.07 3.49 0.52 -1.26 -4.48 118.95 114.90 2rnl s ARG 46 Ca -0.12 -2.52 -0.32 0.00 -0.52 0.00 0.00 55.73 52.25 2rnl s ARG 46 Cb 0.15 -4.24 -0.17 0.00 0.52 0.00 0.00 34.95 31.22 2rnl s ARG 46 CO 0.62 -1.26 0.78 0.00 0.02 0.00 0.00 175.30 175.47 2rnl n GLY 48 N 1.52 -0.10 3.49 0.00 0.00 -1.26 -2.76 105.19 106.08 2rnl n GLY 48 Ca 0.17 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.82 3.72 0.00 1.61 -1.05 -1.26 -4.96 118.70 114.94 2rnl s GLU 49 Ca 0.00 -0.46 0.20 0.00 -0.15 0.00 0.00 54.97 54.56 2rnl s GLU 49 Cb 0.00 -3.19 0.16 0.00 -0.44 0.00 0.00 34.13 30.66 2rnl s GLU 49 CO 0.00 0.02 1.15 0.36 0.95 0.00 0.00 175.26 177.74