#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 0.19 0.09 1.61 0.01 -1.26 -5.18 113.70 109.16 2rnl s SER 2 Ca 0.00 -1.25 -0.14 0.00 1.31 0.00 0.00 55.95 55.87 2rnl s SER 2 Cb 0.00 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.74 2rnl s SER 2 CO 0.00 -1.00 0.34 -0.55 0.41 0.00 0.00 173.24 172.44 2rnl s SER 3 N -3.12 -0.14 0.00 2.44 0.15 -1.26 -5.12 113.70 106.65 2rnl s SER 3 Ca 0.32 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2rnl s SER 3 Cb 0.03 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 2rnl s SER 3 CO 0.12 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2rnl n GLY 4 N 0.04 0.27 3.75 9.45 0.00 -1.26 -4.83 105.19 112.60 2rnl n GLY 4 Ca -0.17 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 2rnl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnl s SER 5 N -4.00 5.75 0.18 1.61 0.15 -1.26 -5.11 113.70 111.02 2rnl s SER 5 Ca 0.00 0.25 0.06 0.00 0.70 0.00 0.00 55.95 56.96 2rnl s SER 5 Cb 0.00 -1.80 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2rnl s SER 5 CO 0.00 0.35 -0.11 -0.44 1.20 0.00 0.00 173.24 174.24 2rnl s SER 6 N -0.67 2.11 -0.44 5.45 0.01 -1.26 -5.09 113.70 113.81 2rnl s SER 6 Ca 0.12 -1.04 0.10 0.00 1.31 0.00 0.00 55.95 56.43 2rnl s SER 6 Cb -0.12 -0.06 0.36 0.00 0.21 0.00 0.00 66.02 66.42 2rnl s SER 6 CO 0.02 -0.29 0.86 0.61 0.41 0.00 0.00 173.24 174.85 2rnl n GLY 7 N -0.30 4.28 2.99 3.44 0.00 -1.26 -5.06 105.19 109.29 2rnl n GLY 7 Ca -0.09 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.95 0.15 -0.07 1.61 -0.14 -1.26 -5.15 119.74 111.94 2rnl s LYS 8 Ca 0.42 0.34 -0.18 0.00 -1.36 0.00 0.00 55.97 55.20 2rnl s LYS 8 Cb 0.34 -0.06 -0.05 0.00 -1.68 0.00 0.00 37.83 36.38 2rnl s LYS 8 CO -0.10 -0.11 0.50 0.21 -0.76 0.00 0.00 175.35 175.09 2rnl s LYS 9 N 0.76 4.27 0.09 1.68 2.20 -1.26 -5.07 119.74 122.40 2rnl s LYS 9 Ca -0.06 0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 55.95 2rnl s LYS 9 Cb -0.07 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 2rnl s LYS 9 CO -0.04 0.30 0.46 -0.80 -0.36 0.00 0.00 175.35 174.91 2rnl s ASN 10 N 0.13 6.74 0.19 1.43 -0.87 -1.26 -4.96 114.94 116.35 2rnl s ASN 10 Ca 0.27 0.93 -0.04 0.00 -1.57 0.00 0.00 52.86 52.45 2rnl s ASN 10 Cb -0.16 -2.23 0.13 0.00 -0.02 0.00 0.00 41.25 38.96 2rnl s ASN 10 CO 0.13 0.18 1.54 1.55 -2.57 0.00 0.00 177.10 177.93 2rnl h PRO 11 N 3.84 0.67 0.00 -0.60 0.13 -1.97 1.01 132.00 135.08 2rnl h PRO 11 Ca -0.49 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2rnl h PRO 11 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rnl h PRO 11 CO 0.65 0.97 0.00 0.00 -0.23 0.00 0.00 178.00 179.39 2rnl n ASN 13 N -2.22 3.85 0.00 0.00 3.02 -1.07 -2.87 115.26 115.98 2rnl n ASN 13 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2rnl n ASN 13 Cb 0.04 0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 -1.30 -0.05 -0.13 5.41 0.00 0.35 -4.13 120.51 120.66 2rnl n ALA 14 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2rnl n ALA 14 Cb 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.26 0.64 -0.12 0.00 -0.58 -0.99 -4.31 120.64 114.03 2rnl n GLU 15 Ca 0.00 0.17 0.01 0.00 -0.42 0.00 0.00 57.16 56.92 2rnl n GLU 15 Cb 0.00 -1.52 0.06 0.00 -0.57 0.00 0.00 31.44 29.41 2rnl n GLU 15 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2rnl n PHE 16 N -3.42 0.28 -0.19 -0.32 3.01 0.31 -4.27 117.46 112.85 2rnl n PHE 16 Ca -0.47 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 57.89 2rnl n PHE 16 Cb 0.98 -0.14 0.10 0.00 -0.01 0.00 0.00 39.48 40.40 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 0.58 0.15 -0.95 -1.08 4.15 -1.54 0.76 115.11 117.19 2rnl h GLN 17 Ca 0.00 -0.01 -0.45 0.00 0.77 0.00 0.00 58.65 58.96 2rnl h GLN 17 Cb 0.64 -0.03 -0.27 0.00 0.21 0.00 0.00 27.48 28.03 2rnl h GLN 17 CO 0.06 0.10 0.57 0.09 -1.93 0.00 0.00 178.83 177.72 2rnl n ASN 18 N -5.23 3.95 -0.09 -0.69 4.13 -1.26 -4.43 115.26 111.64 2rnl n ASN 18 Ca 0.08 -3.49 -0.16 0.00 1.68 0.00 0.00 54.58 52.69 2rnl n ASN 18 Cb 0.33 -0.81 -0.09 0.00 -1.54 0.00 0.00 39.78 37.67 2rnl n ASN 18 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2rnl h PHE 19 N 1.31 0.00 -1.57 3.10 3.57 -1.12 -3.43 116.94 118.80 2rnl h PHE 19 Ca 0.55 0.00 -0.57 0.00 3.53 0.00 0.00 57.97 61.48 2rnl h PHE 19 Cb 2.73 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 41.38 2rnl h PHE 19 CO 1.50 1.04 1.33 0.00 -2.23 0.00 0.00 178.31 179.95 2rnl h ILE 21 N 6.53 0.19 -2.34 0.00 2.04 -1.83 -3.40 117.51 118.69 2rnl h ILE 21 Ca 0.02 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.57 2rnl h ILE 21 Cb 1.03 0.19 -0.34 0.00 -0.74 0.00 0.00 36.82 36.95 2rnl h ILE 21 CO 1.37 0.00 -0.62 -1.00 0.00 0.00 0.00 178.15 177.91 2rnl s HIS 22 N -5.92 -0.38 0.00 1.37 3.76 -1.11 -4.98 115.29 108.03 2rnl s HIS 22 Ca -0.15 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2rnl s HIS 22 Cb 0.09 -0.36 0.00 0.00 1.11 0.00 0.00 32.58 33.42 2rnl s HIS 22 CO 0.65 -0.72 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 2rnl n GLY 23 N 5.32 2.52 3.65 -2.22 0.00 -1.26 -4.53 105.19 108.68 2rnl n GLY 23 Ca -0.04 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.04 4.23 -0.12 1.61 2.12 -0.77 -4.79 118.70 118.95 2rnl s GLU 24 Ca 0.00 0.99 -0.14 0.00 0.36 0.00 0.00 54.97 56.19 2rnl s GLU 24 Cb 0.00 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 2rnl s GLU 24 CO 0.00 -0.45 0.32 0.00 -0.54 0.00 0.00 175.26 174.59 2rnl s LYS 26 N -0.03 0.47 -0.09 0.00 2.36 -0.66 -4.99 119.74 116.81 2rnl s LYS 26 Ca 0.19 -0.16 -0.27 0.00 -2.55 0.00 0.00 55.97 53.18 2rnl s LYS 26 Cb -0.14 -1.64 -0.02 0.00 -1.05 0.00 0.00 37.83 34.97 2rnl s LYS 26 CO 0.07 -0.54 0.88 -0.47 1.55 0.00 0.00 175.35 176.84 2rnl s TYR 27 N 1.97 3.54 -0.08 4.03 5.04 -1.26 -3.75 117.35 126.83 2rnl s TYR 27 Ca 0.02 1.45 -0.16 0.00 -2.44 0.00 0.00 57.07 55.93 2rnl s TYR 27 Cb -0.15 -3.04 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 2rnl s TYR 27 CO -0.07 -0.11 0.41 0.42 -1.34 0.00 0.00 175.55 174.86 2rnl s ILE 28 N 1.54 5.16 -0.17 3.14 1.09 -0.65 -4.98 121.20 126.33 2rnl s ILE 28 Ca 0.44 0.81 -0.18 0.00 -1.10 0.00 0.00 60.65 60.63 2rnl s ILE 28 Cb -0.18 -3.73 -0.14 0.00 -1.06 0.00 0.00 42.46 37.34 2rnl s ILE 28 CO 0.19 0.44 0.18 -0.08 -0.10 0.00 0.00 174.94 175.56 2rnl h GLU 29 N 5.95 0.00 0.00 2.79 4.81 -1.95 0.53 114.58 126.71 2rnl h GLU 29 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2rnl h GLU 29 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2rnl h GLU 29 CO 0.70 0.66 0.38 1.12 -0.73 0.00 0.00 179.01 181.14 2rnl h HIS 30 N -1.00 0.00 0.00 0.92 2.07 -1.99 -0.17 115.15 114.98 2rnl h HIS 30 Ca -0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 2rnl h HIS 30 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 2rnl h HIS 30 CO 0.04 0.00 -0.89 1.28 -3.07 0.00 0.00 177.93 175.29 2rnl n LEU 31 N -2.40 0.00 -3.47 6.12 4.77 -1.25 -5.03 117.00 115.73 2rnl n LEU 31 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 2rnl n LEU 31 Cb 0.41 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2rnl n LEU 31 CO 0.08 0.00 0.17 -0.62 -1.33 0.00 0.00 177.39 175.69 2rnl n GLU 32 N -1.42 -6.98 -4.52 3.23 1.02 0.18 -5.00 120.64 107.15 2rnl n GLU 32 Ca 0.00 0.83 -0.26 0.00 -0.02 0.00 0.00 57.16 57.71 2rnl n GLU 32 Cb 0.08 -5.82 -0.10 0.00 -0.02 0.00 0.00 31.44 25.57 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 2.96 -0.02 0.62 0.00 -0.93 -4.95 121.76 116.16 2rnl s ALA 33 Ca 0.52 -2.07 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2rnl s ALA 33 Cb -0.23 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2rnl s ALA 33 CO 0.64 0.10 -0.10 0.08 0.00 0.00 0.00 175.76 176.48 2rnl s VAL 34 N -2.59 3.39 -0.05 0.00 1.01 -1.26 -1.63 120.40 119.27 2rnl s VAL 34 Ca 0.32 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2rnl s VAL 34 Cb 0.02 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2rnl s VAL 34 CO 0.17 0.48 0.39 0.28 0.00 0.00 0.00 175.10 176.42 2rnl s THR 35 N -0.88 0.04 -0.23 3.92 -1.32 -1.25 -5.02 115.64 110.90 2rnl s THR 35 Ca 0.14 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 2rnl s THR 35 Cb -0.11 -0.67 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 2rnl s THR 35 CO 0.04 -0.17 -0.04 0.00 -2.21 0.00 0.00 174.62 172.24 2rnl s LYS 37 N 1.46 4.40 -0.15 0.00 2.20 0.13 -4.74 119.74 123.04 2rnl s LYS 37 Ca -0.05 2.12 -0.11 0.00 -0.36 0.00 0.00 55.97 57.57 2rnl s LYS 37 Cb -0.19 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2rnl s LYS 37 CO -0.06 -0.16 0.20 0.00 -0.36 0.00 0.00 175.35 174.97 2rnl n GLN 39 N 2.98 -3.03 -0.05 0.00 6.02 -1.26 -4.82 117.38 117.23 2rnl n GLN 39 Ca -0.16 -0.68 0.01 0.00 -0.01 0.00 0.00 57.00 56.16 2rnl n GLN 39 Cb 0.53 -0.92 0.03 0.00 1.02 0.00 0.00 30.24 30.89 2rnl n GLN 39 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2rnl n GLN 40 N -3.49 1.21 0.00 -1.09 6.02 -1.26 -3.39 117.38 115.39 2rnl n GLN 40 Ca 0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2rnl n GLN 40 Cb 0.28 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2rnl n GLN 40 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2rnl n GLU 41 N -0.13 1.78 -3.13 -1.09 1.02 -1.26 -5.08 120.64 112.74 2rnl n GLU 41 Ca 0.02 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 2rnl n GLU 41 Cb 0.19 -0.93 0.01 0.00 -0.02 0.00 0.00 31.44 30.69 2rnl n GLU 41 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2rnl s TYR 42 N -1.85 2.91 0.18 -0.32 2.02 -1.22 -4.57 117.35 114.51 2rnl s TYR 42 Ca 0.00 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 2rnl s TYR 42 Cb 0.00 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.29 2rnl s TYR 42 CO 0.00 -0.31 0.37 -0.59 -1.57 0.00 0.00 175.55 173.45 2rnl s PHE 43 N -2.31 0.26 0.00 2.71 -0.71 -1.21 -4.41 117.98 112.30 2rnl s PHE 43 Ca 0.52 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 2rnl s PHE 43 Cb -0.10 0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 2rnl s PHE 43 CO 0.33 -0.81 0.00 0.41 -1.34 0.00 0.00 175.22 173.81 2rnl n GLY 44 N -0.27 -1.53 0.03 1.99 0.00 -1.26 -4.02 105.19 100.13 2rnl n GLY 44 Ca -0.07 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 2rnl n GLY 44 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2rnl h GLU 45 N 0.00 0.00 -0.47 1.61 4.22 -2.01 -3.40 114.58 114.54 2rnl h GLU 45 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 2rnl h GLU 45 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2rnl h GLU 45 CO 0.00 0.00 0.18 0.00 -2.18 0.00 0.00 179.01 177.01 2rnl h ARG 46 N -0.47 0.67 -3.29 1.92 3.08 -1.87 -3.40 114.38 111.03 2rnl h ARG 46 Ca 0.00 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 2rnl h ARG 46 Cb 0.21 -0.12 0.07 0.00 0.08 0.00 0.00 29.97 30.20 2rnl h ARG 46 CO 0.00 0.56 -0.30 0.00 -1.07 0.00 0.00 179.97 179.16 2rnl n GLY 48 N -1.09 6.34 3.63 0.00 0.00 -1.26 -2.75 105.19 110.06 2rnl n GLY 48 Ca -0.06 -2.65 -0.04 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.61 0.62 0.00 1.61 2.02 -1.26 -5.01 118.70 113.06 2rnl s GLU 49 Ca 0.52 1.21 0.00 0.00 0.02 0.00 0.00 54.97 56.72 2rnl s GLU 49 Cb 0.42 0.35 0.00 0.00 0.10 0.00 0.00 34.13 35.00 2rnl s GLU 49 CO 0.02 -0.15 0.39 0.36 0.02 0.00 0.00 175.26 175.89