#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 5.57 -0.08 1.61 0.01 -1.26 -5.13 113.70 114.42 2rnl s SER 2 Ca 0.00 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.04 2rnl s SER 2 Cb 0.00 -1.47 0.03 0.00 0.21 0.00 0.00 66.02 64.79 2rnl s SER 2 CO 0.00 0.07 0.29 -0.55 0.41 0.00 0.00 173.24 173.46 2rnl s SER 3 N -3.10 -0.27 0.00 2.44 0.15 -1.26 -5.05 113.70 106.61 2rnl s SER 3 Ca 0.31 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2rnl s SER 3 Cb -0.10 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 2rnl s SER 3 CO 0.24 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.09 2rnl n GLY 4 N 2.47 -2.17 0.12 9.45 0.00 -1.26 -5.05 105.19 108.76 2rnl n GLY 4 Ca -0.15 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2rnl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rnl n SER 5 N 0.00 1.93 -4.66 1.61 7.64 -1.26 -4.89 113.62 113.98 2rnl n SER 5 Ca 0.00 0.34 -0.42 0.00 1.01 0.00 0.00 58.87 59.80 2rnl n SER 5 Cb 0.00 -0.88 -0.03 0.00 -1.01 0.00 0.00 64.21 62.29 2rnl n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rnl s SER 6 N -7.04 6.51 0.00 6.43 0.15 -1.26 -3.76 113.70 114.72 2rnl s SER 6 Ca -0.31 2.57 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2rnl s SER 6 Cb 0.09 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2rnl s SER 6 CO 0.59 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2rnl n GLY 7 N 4.40 0.99 3.22 9.45 0.00 -1.26 -5.15 105.19 116.83 2rnl n GLY 7 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.03 0.39 -0.53 1.61 1.02 -1.25 -5.12 119.74 115.89 2rnl s LYS 8 Ca 0.00 0.49 -0.01 0.00 0.02 0.00 0.00 55.97 56.47 2rnl s LYS 8 Cb 0.00 0.17 0.14 0.00 -0.52 0.00 0.00 37.83 37.61 2rnl s LYS 8 CO 0.00 -0.06 0.32 0.15 -0.92 0.00 0.00 175.35 174.84 2rnl s LYS 9 N 0.29 2.23 0.29 1.68 1.02 -1.26 -5.09 119.74 118.90 2rnl s LYS 9 Ca -0.01 -2.31 -0.24 0.00 0.02 0.00 0.00 55.97 53.43 2rnl s LYS 9 Cb -0.03 -3.58 -0.09 0.00 -0.52 0.00 0.00 37.83 33.60 2rnl s LYS 9 CO -0.01 -1.12 0.87 -0.80 -0.92 0.00 0.00 175.35 173.37 2rnl s ASN 10 N 0.84 7.24 0.47 2.83 -0.87 -1.26 -4.96 114.94 119.23 2rnl s ASN 10 Ca 0.14 1.69 0.31 0.00 -1.57 0.00 0.00 52.86 53.43 2rnl s ASN 10 Cb -0.22 -2.52 1.28 0.00 -0.02 0.00 0.00 41.25 39.77 2rnl s ASN 10 CO -0.03 -0.03 1.91 1.55 -2.57 0.00 0.00 177.10 177.93 2rnl h PRO 11 N 3.26 0.00 -1.20 -0.60 0.13 -1.98 -3.16 132.00 128.45 2rnl h PRO 11 Ca -0.47 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 2rnl h PRO 11 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2rnl h PRO 11 CO 0.65 0.00 0.83 0.00 -0.23 0.00 0.00 178.00 179.25 2rnl n ASN 13 N -4.38 1.80 0.00 0.00 3.02 -1.19 -1.63 115.26 112.88 2rnl n ASN 13 Ca 0.28 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 2rnl n ASN 13 Cb 1.19 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 40.57 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 0.34 0.00 -0.01 5.41 0.00 0.24 -4.66 120.51 121.83 2rnl n ALA 14 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2rnl n ALA 14 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.62 2.97 -0.19 0.00 4.71 -0.90 -4.61 120.64 121.00 2rnl n GLU 15 Ca 0.00 -0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.16 2rnl n GLU 15 Cb 0.00 -1.04 0.09 0.00 -1.01 0.00 0.00 31.44 29.48 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 -1.95 0.45 -0.26 -0.32 3.01 -0.94 -4.11 117.46 113.35 2rnl n PHE 16 Ca -0.02 -0.16 -0.06 0.00 1.01 0.00 0.00 57.45 58.22 2rnl n PHE 16 Cb 0.44 -0.17 0.05 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.93 1.07 0.00 -1.08 5.75 -1.47 -2.91 115.11 117.40 2rnl h GLN 17 Ca 0.00 -0.20 -0.21 0.00 -0.15 0.00 0.00 58.65 58.10 2rnl h GLN 17 Cb 0.76 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 2rnl h GLN 17 CO 0.10 0.88 -1.16 -0.91 -2.65 0.00 0.00 178.83 175.09 2rnl h ASN 18 N 1.02 0.00 -0.27 -0.69 4.21 -1.85 -3.37 115.58 114.63 2rnl h ASN 18 Ca 0.24 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.78 2rnl h ASN 18 Cb 0.21 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.36 2rnl h ASN 18 CO -0.02 0.84 -0.32 0.15 -1.29 0.00 0.00 177.43 176.79 2rnl h PHE 19 N 0.00 -0.99 -0.72 1.19 3.57 -1.75 -3.24 116.94 115.00 2rnl h PHE 19 Ca -0.11 0.05 -0.36 0.00 3.53 0.00 0.00 57.97 61.08 2rnl h PHE 19 Cb 1.74 0.47 -0.06 0.00 2.79 0.00 0.00 35.95 40.89 2rnl h PHE 19 CO 0.00 -0.27 0.99 0.00 -2.23 0.00 0.00 178.31 176.80 2rnl h ILE 21 N 6.87 0.00 -3.07 0.00 2.04 -1.58 -3.40 117.51 118.36 2rnl h ILE 21 Ca 0.16 -0.03 -0.60 0.00 1.00 0.00 0.00 64.86 65.39 2rnl h ILE 21 Cb 0.98 0.00 -0.40 0.00 -0.74 0.00 0.00 36.82 36.66 2rnl h ILE 21 CO 1.26 0.00 -0.75 -1.00 0.00 0.00 0.00 178.15 177.66 2rnl s HIS 22 N -5.26 1.95 0.00 1.37 3.76 0.05 -4.96 115.29 112.20 2rnl s HIS 22 Ca -0.15 -2.20 0.00 0.00 -0.15 0.00 0.00 55.06 52.56 2rnl s HIS 22 Cb 0.02 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2rnl s HIS 22 CO 0.46 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.94 2rnl n GLY 23 N 4.05 2.24 3.74 -2.22 0.00 -1.26 -4.50 105.19 107.24 2rnl n GLY 23 Ca 0.05 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 4.45 -0.05 1.61 2.56 -1.02 -4.81 118.70 119.45 2rnl s GLU 24 Ca 0.00 0.97 -0.08 0.00 0.00 0.00 0.00 54.97 55.86 2rnl s GLU 24 Cb 0.00 -3.39 -0.05 0.00 2.00 0.00 0.00 34.13 32.69 2rnl s GLU 24 CO 0.00 0.21 0.23 0.00 -0.56 0.00 0.00 175.26 175.14 2rnl s LYS 26 N -1.33 0.27 -0.15 0.00 2.47 -1.01 -4.97 119.74 115.02 2rnl s LYS 26 Ca 0.21 0.26 -0.26 0.00 -1.56 0.00 0.00 55.97 54.62 2rnl s LYS 26 Cb -0.13 -0.85 -0.02 0.00 -1.46 0.00 0.00 37.83 35.37 2rnl s LYS 26 CO 0.10 -0.72 0.84 -0.47 0.16 0.00 0.00 175.35 175.26 2rnl s TYR 27 N 2.41 3.45 -0.09 4.03 5.04 -1.26 -3.84 117.35 127.09 2rnl s TYR 27 Ca 0.09 1.29 -0.17 0.00 -2.44 0.00 0.00 57.07 55.84 2rnl s TYR 27 Cb -0.15 -3.01 -0.05 0.00 0.35 0.00 0.00 41.96 39.10 2rnl s TYR 27 CO -0.17 -0.21 0.45 0.42 -1.34 0.00 0.00 175.55 174.70 2rnl s ILE 28 N 2.00 5.15 -0.10 3.14 1.09 -0.32 -5.00 121.20 127.16 2rnl s ILE 28 Ca 0.39 0.91 -0.05 0.00 -1.10 0.00 0.00 60.65 60.80 2rnl s ILE 28 Cb -0.17 -3.78 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2rnl s ILE 28 CO 0.14 0.39 -0.10 -0.33 -0.10 0.00 0.00 174.94 174.94 2rnl h GLU 29 N 6.22 0.00 -0.62 2.79 5.08 -1.96 -0.77 114.58 125.32 2rnl h GLU 29 Ca -0.43 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.11 2rnl h GLU 29 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2rnl h GLU 29 CO 0.72 0.00 1.01 1.12 -1.00 0.00 0.00 179.01 180.86 2rnl h HIS 30 N -0.73 0.00 0.00 4.33 2.07 -1.98 1.49 115.15 120.33 2rnl h HIS 30 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2rnl h HIS 30 Cb 0.28 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.24 2rnl h HIS 30 CO -0.12 0.00 -1.76 1.28 -3.07 0.00 0.00 177.93 174.26 2rnl n LEU 31 N -3.08 0.00 -3.11 6.12 4.77 -1.26 -5.02 117.00 115.42 2rnl n LEU 31 Ca 0.14 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 2rnl n LEU 31 Cb 1.21 0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.50 2rnl n LEU 31 CO 0.17 0.13 0.16 -0.62 -1.33 0.00 0.00 177.39 175.90 2rnl n GLU 32 N -2.19 -6.30 -3.91 3.23 1.02 0.51 -5.02 120.64 107.98 2rnl n GLU 32 Ca -0.10 0.72 -0.10 0.00 -0.02 0.00 0.00 57.16 57.65 2rnl n GLU 32 Cb 0.59 -5.38 -0.11 0.00 -0.02 0.00 0.00 31.44 26.52 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 -3.29 -0.14 0.08 0.62 0.00 -0.73 -5.02 121.76 113.29 2rnl s ALA 33 Ca 0.27 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2rnl s ALA 33 Cb -0.12 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2rnl s ALA 33 CO 0.62 -0.17 0.03 0.54 0.00 0.00 0.00 175.76 176.79 2rnl s VAL 34 N -1.24 4.23 0.13 0.00 0.11 -1.26 -1.17 120.40 121.21 2rnl s VAL 34 Ca -0.13 -0.89 -0.22 0.00 -2.93 0.00 0.00 61.98 57.80 2rnl s VAL 34 Cb -0.08 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 31.81 2rnl s VAL 34 CO 0.00 0.12 0.57 0.28 -3.33 0.00 0.00 175.10 172.75 2rnl s THR 35 N -1.34 0.01 -0.14 5.04 -1.32 -1.25 -5.00 115.64 111.64 2rnl s THR 35 Ca 0.27 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.66 2rnl s THR 35 Cb -0.12 -1.02 0.01 0.00 -1.51 0.00 0.00 72.50 69.86 2rnl s THR 35 CO 0.20 -0.06 -0.19 0.00 -2.21 0.00 0.00 174.62 172.36 2rnl s LYS 37 N 1.02 4.71 -0.17 0.00 1.02 0.12 -4.60 119.74 121.83 2rnl s LYS 37 Ca -0.03 1.50 -0.03 0.00 0.02 0.00 0.00 55.97 57.43 2rnl s LYS 37 Cb -0.15 -3.09 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2rnl s LYS 37 CO -0.05 0.36 -0.05 0.00 -0.92 0.00 0.00 175.35 174.69 2rnl n GLN 39 N 3.86 -2.37 -0.26 0.00 1.13 -1.26 -4.70 117.38 113.79 2rnl n GLN 39 Ca -0.18 -0.70 -0.05 0.00 -1.94 0.00 0.00 57.00 54.13 2rnl n GLN 39 Cb 0.52 -1.08 0.10 0.00 0.11 0.00 0.00 30.24 29.89 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 0.00 1.11 -0.03 -1.09 3.07 -2.00 -2.71 115.11 113.47 2rnl h GLN 40 Ca -0.19 -0.20 -0.19 0.00 0.09 0.00 0.00 58.65 58.16 2rnl h GLN 40 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.01 2rnl h GLN 40 CO 0.11 0.91 -0.79 1.05 0.09 0.00 0.00 178.83 180.21 2rnl h GLU 41 N 1.09 0.28 -6.66 0.06 9.09 -1.96 -3.45 114.58 113.03 2rnl h GLU 41 Ca 0.25 -0.26 -0.44 0.00 0.05 0.00 0.00 59.36 58.95 2rnl h GLU 41 Cb 0.22 0.06 0.03 0.00 -1.65 0.00 0.00 28.75 27.42 2rnl h GLU 41 CO -0.02 0.94 -0.13 0.71 0.05 0.00 0.00 179.01 180.56 2rnl s TYR 42 N -3.43 3.05 0.14 2.06 2.02 -1.02 -4.53 117.35 115.64 2rnl s TYR 42 Ca -0.04 0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.43 2rnl s TYR 42 Cb 0.10 -2.41 0.07 0.00 -0.40 0.00 0.00 41.96 39.32 2rnl s TYR 42 CO 0.83 -0.48 0.79 -0.59 -1.57 0.00 0.00 175.55 174.53 2rnl s PHE 43 N -2.54 -0.32 0.00 2.71 -0.71 -1.26 -4.15 117.98 111.71 2rnl s PHE 43 Ca 0.51 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 56.46 2rnl s PHE 43 Cb -0.10 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2rnl s PHE 43 CO 0.37 -0.84 0.00 0.41 -1.34 0.00 0.00 175.22 173.81 2rnl n GLY 44 N -0.38 -0.46 0.14 1.99 0.00 -1.26 -4.06 105.19 101.15 2rnl n GLY 44 Ca -0.09 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 2rnl n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2rnl n GLU 45 N 0.00 0.60 0.05 1.61 0.28 -1.26 -4.58 120.64 117.34 2rnl n GLU 45 Ca 0.00 0.27 -0.21 0.00 -0.16 0.00 0.00 57.16 57.07 2rnl n GLU 45 Cb 0.00 -1.52 -0.11 0.00 1.43 0.00 0.00 31.44 31.24 2rnl n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rnl h ARG 46 N -0.82 0.70 -2.56 3.44 3.08 -1.86 -3.26 114.38 113.10 2rnl h ARG 46 Ca -0.65 -0.78 -0.11 0.00 0.07 0.00 0.00 59.98 58.51 2rnl h ARG 46 Cb 1.64 0.23 0.04 0.00 0.08 0.00 0.00 29.97 31.97 2rnl h ARG 46 CO -0.34 1.34 -0.20 0.00 -1.07 0.00 0.00 179.97 179.70 2rnl n GLY 48 N -0.96 6.10 3.83 0.00 0.00 -1.26 -0.77 105.19 112.12 2rnl n GLY 48 Ca -0.02 -2.38 -0.06 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.57 1.75 0.00 1.61 2.02 -1.26 -4.94 118.70 114.30 2rnl s GLU 49 Ca 0.51 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2rnl s GLU 49 Cb 0.42 0.53 0.00 0.00 0.10 0.00 0.00 34.13 35.19 2rnl s GLU 49 CO 0.02 -0.81 0.00 0.36 0.02 0.00 0.00 175.26 174.85