#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 6.49 -4.57 1.61 2.88 -1.26 -4.94 113.62 113.83 2rnl n SER 2 Ca 0.00 -3.78 -0.30 0.00 -1.33 0.00 0.00 58.87 53.46 2rnl n SER 2 Cb 0.00 -0.73 -0.05 0.00 -0.75 0.00 0.00 64.21 62.68 2rnl n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rnl s SER 3 N -2.48 5.34 0.14 -3.46 0.15 -1.26 -4.68 113.70 107.46 2rnl s SER 3 Ca 0.57 -1.57 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2rnl s SER 3 Cb 0.46 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2rnl s SER 3 CO -0.06 -2.71 0.00 0.61 1.20 0.00 0.00 173.24 172.28 2rnl n GLY 4 N 6.00 -3.41 2.99 9.45 0.00 -1.26 -4.97 105.19 113.98 2rnl n GLY 4 Ca 0.44 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.48 4.21 -0.02 1.61 1.04 -1.26 -5.10 113.70 111.69 2rnl s SER 5 Ca 0.00 -1.43 0.02 0.00 0.48 0.00 0.00 55.95 55.02 2rnl s SER 5 Cb 0.00 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2rnl s SER 5 CO 0.00 -0.25 -0.07 -0.44 0.98 0.00 0.00 173.24 173.46 2rnl s SER 6 N 1.23 1.02 -0.38 7.02 0.01 -1.26 -4.95 113.70 116.39 2rnl s SER 6 Ca -0.04 -0.15 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 2rnl s SER 6 Cb -0.19 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.79 2rnl s SER 6 CO -0.07 0.05 0.49 0.61 0.41 0.00 0.00 173.24 174.72 2rnl n GLY 7 N 3.34 -1.19 3.19 3.44 0.00 -1.26 -5.04 105.19 107.67 2rnl n GLY 7 Ca -0.18 1.02 0.02 0.00 0.00 0.00 0.00 46.02 46.88 2rnl n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rnl s LYS 8 N -2.30 0.55 0.34 1.61 2.20 -1.26 -5.16 119.74 115.72 2rnl s LYS 8 Ca 0.24 1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 56.77 2rnl s LYS 8 Cb -0.05 0.51 -0.07 0.00 -1.51 0.00 0.00 37.83 36.72 2rnl s LYS 8 CO 0.74 -0.57 0.69 0.21 -0.36 0.00 0.00 175.35 176.06 2rnl s LYS 9 N 2.84 3.80 0.02 4.03 2.47 -1.26 -5.10 119.74 126.53 2rnl s LYS 9 Ca 0.17 0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.97 2rnl s LYS 9 Cb -0.15 -2.49 -0.02 0.00 -1.46 0.00 0.00 37.83 33.72 2rnl s LYS 9 CO -0.20 0.10 -0.03 -0.80 0.16 0.00 0.00 175.35 174.58 2rnl s ASN 10 N -2.87 0.28 0.54 1.43 0.01 -1.26 -5.04 114.94 108.04 2rnl s ASN 10 Ca 0.50 -0.44 0.34 0.00 -0.71 0.00 0.00 52.86 52.55 2rnl s ASN 10 Cb -0.10 0.08 1.40 0.00 0.41 0.00 0.00 41.25 43.03 2rnl s ASN 10 CO 0.27 -0.25 1.99 1.55 -1.51 0.00 0.00 177.10 179.15 2rnl h PRO 11 N 4.84 0.00 0.00 -0.60 0.13 -1.98 0.20 132.00 134.58 2rnl h PRO 11 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2rnl h PRO 11 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2rnl h PRO 11 CO 0.42 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.18 2rnl n ASN 13 N -3.11 2.57 0.02 0.00 0.23 -1.02 -2.44 115.26 111.51 2rnl n ASN 13 Ca -0.00 -0.13 -0.02 0.00 -0.53 0.00 0.00 54.58 53.89 2rnl n ASN 13 Cb 0.26 0.78 -0.01 0.00 -2.08 0.00 0.00 39.78 38.73 2rnl n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rnl h ALA 14 N 0.00 -0.19 0.00 -2.53 0.00 -0.60 -3.37 119.26 112.58 2rnl h ALA 14 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 2rnl h ALA 14 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2rnl h ALA 14 CO 0.00 -0.18 -1.73 -1.91 0.00 0.00 0.00 179.25 175.44 2rnl n GLU 15 N -3.86 0.30 -0.13 0.00 4.07 -1.08 -4.53 120.64 115.41 2rnl n GLU 15 Ca -0.02 0.09 0.01 0.00 -0.06 0.00 0.00 57.16 57.18 2rnl n GLU 15 Cb 0.05 -1.17 0.06 0.00 -0.06 0.00 0.00 31.44 30.33 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 -3.10 0.31 -0.33 4.31 3.01 0.18 -4.25 117.46 117.59 2rnl n PHE 16 Ca -0.24 -0.11 0.19 0.00 1.01 0.00 0.00 57.45 58.31 2rnl n PHE 16 Cb 0.72 -0.14 0.45 0.00 -0.01 0.00 0.00 39.48 40.50 2rnl n PHE 16 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 2rnl h GLN 17 N 0.65 0.49 -0.40 -1.08 3.07 -1.59 0.25 115.11 116.51 2rnl h GLN 17 Ca 0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 58.65 58.54 2rnl h GLN 17 Cb 0.64 -0.11 -0.10 0.00 0.08 0.00 0.00 27.48 27.99 2rnl h GLN 17 CO 0.07 0.33 0.02 -1.71 0.09 0.00 0.00 178.83 177.62 2rnl n ASN 18 N -4.70 3.00 -0.02 0.06 2.85 -1.26 -4.71 115.26 110.49 2rnl n ASN 18 Ca 0.25 -3.56 -0.00 0.00 -0.11 0.00 0.00 54.58 51.15 2rnl n ASN 18 Cb 0.77 -0.64 -0.00 0.00 1.24 0.00 0.00 39.78 41.15 2rnl n ASN 18 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2rnl h PHE 19 N 1.23 0.00 -3.00 1.20 3.57 -0.77 -3.45 116.94 115.72 2rnl h PHE 19 Ca 0.21 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 61.18 2rnl h PHE 19 Cb 1.74 0.00 0.06 0.00 2.79 0.00 0.00 35.95 40.54 2rnl h PHE 19 CO 0.96 0.00 0.91 0.00 -2.23 0.00 0.00 178.31 177.95 2rnl n ILE 21 N 3.22 0.35 -3.58 0.00 5.41 -0.95 -4.83 119.36 118.97 2rnl n ILE 21 Ca 0.12 0.41 -0.35 0.00 1.00 0.00 0.00 62.75 63.93 2rnl n ILE 21 Cb 0.37 -1.69 -0.07 0.00 -0.71 0.00 0.00 39.64 37.55 2rnl n ILE 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2rnl n HIS 22 N -2.95 3.89 0.00 1.39 8.25 -1.22 -5.01 115.22 119.58 2rnl n HIS 22 Ca -0.03 -4.02 0.00 0.00 -0.26 0.00 0.00 57.72 53.41 2rnl n HIS 22 Cb 0.12 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.21 2rnl n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rnl n GLY 23 N 1.99 2.52 3.87 -1.41 0.00 -1.26 -4.13 105.19 106.76 2rnl n GLY 23 Ca 0.23 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 3.86 -0.05 1.61 2.56 -0.90 -4.79 118.70 118.98 2rnl s GLU 24 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 54.97 55.52 2rnl s GLU 24 Cb 0.00 -2.39 -0.03 0.00 2.00 0.00 0.00 34.13 33.71 2rnl s GLU 24 CO 0.00 0.01 -0.01 0.00 -0.56 0.00 0.00 175.26 174.71 2rnl s LYS 26 N -1.15 0.27 0.33 0.00 2.47 -0.18 -4.95 119.74 116.52 2rnl s LYS 26 Ca 0.16 0.05 -0.28 0.00 -1.56 0.00 0.00 55.97 54.34 2rnl s LYS 26 Cb -0.11 -0.88 -0.09 0.00 -1.46 0.00 0.00 37.83 35.28 2rnl s LYS 26 CO 0.05 -0.84 1.14 -0.47 0.16 0.00 0.00 175.35 175.40 2rnl s TYR 27 N 2.36 3.34 -0.08 4.03 5.04 -1.26 -3.85 117.35 126.92 2rnl s TYR 27 Ca 0.09 1.61 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 2rnl s TYR 27 Cb -0.15 -3.35 -0.02 0.00 0.35 0.00 0.00 41.96 38.79 2rnl s TYR 27 CO -0.23 -0.95 -0.17 0.42 -1.34 0.00 0.00 175.55 173.29 2rnl s ILE 28 N -1.28 2.81 -0.18 3.14 1.01 -0.99 -5.03 121.20 120.68 2rnl s ILE 28 Ca 0.50 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 2rnl s ILE 28 Cb -0.32 -2.11 -0.21 0.00 0.01 0.00 0.00 42.46 39.83 2rnl s ILE 28 CO 0.41 0.56 0.36 -0.08 0.00 0.00 0.00 174.94 176.19 2rnl h GLU 29 N 6.01 0.03 0.00 2.79 4.81 -1.95 0.39 114.58 126.65 2rnl h GLU 29 Ca -0.35 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2rnl h GLU 29 Cb 1.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2rnl h GLU 29 CO 0.51 1.02 0.17 -2.39 -0.73 0.00 0.00 179.01 177.60 2rnl n HIS 30 N -4.39 0.48 0.00 0.92 1.44 -1.26 -1.41 115.22 111.00 2rnl n HIS 30 Ca -0.27 0.25 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2rnl n HIS 30 Cb 0.67 -0.78 0.00 0.00 0.12 0.00 0.00 29.99 30.00 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 -2.03 0.00 -3.62 2.39 4.77 -1.25 -5.03 117.00 112.23 2rnl n LEU 31 Ca -0.01 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 2rnl n LEU 31 Cb 0.19 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 2rnl n LEU 31 CO 0.06 0.00 0.14 -0.62 -1.33 0.00 0.00 177.39 175.64 2rnl n GLU 32 N -1.30 -6.26 -4.32 3.23 1.02 0.13 -4.98 120.64 108.16 2rnl n GLU 32 Ca 0.00 0.73 -0.17 0.00 -0.02 0.00 0.00 57.16 57.70 2rnl n GLU 32 Cb 0.08 -5.67 -0.10 0.00 -0.02 0.00 0.00 31.44 25.72 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 -3.26 1.83 -0.16 0.62 0.00 -1.08 -4.98 121.76 114.73 2rnl s ALA 33 Ca 0.57 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.81 2rnl s ALA 33 Cb -0.27 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2rnl s ALA 33 CO 0.70 -0.04 0.09 0.08 0.00 0.00 0.00 175.76 176.59 2rnl s VAL 34 N -3.15 5.10 0.00 0.00 1.01 -1.26 -2.34 120.40 119.75 2rnl s VAL 34 Ca 0.22 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 2rnl s VAL 34 Cb 0.02 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2rnl s VAL 34 CO 0.05 0.51 0.07 0.28 0.00 0.00 0.00 175.10 176.02 2rnl s THR 35 N -0.16 0.08 -0.14 3.92 -1.32 -1.25 -5.05 115.64 111.72 2rnl s THR 35 Ca 0.09 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2rnl s THR 35 Cb -0.12 -0.31 0.02 0.00 -1.51 0.00 0.00 72.50 70.58 2rnl s THR 35 CO 0.01 -0.35 -0.14 0.00 -2.21 0.00 0.00 174.62 171.93 2rnl s LYS 37 N 1.48 3.24 -0.17 0.00 2.20 0.39 -4.81 119.74 122.08 2rnl s LYS 37 Ca 0.04 1.34 -0.21 0.00 -0.36 0.00 0.00 55.97 56.78 2rnl s LYS 37 Cb -0.13 -4.22 -0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2rnl s LYS 37 CO -0.10 -1.97 0.65 0.00 -0.36 0.00 0.00 175.35 173.57 2rnl n GLN 39 N 4.73 0.60 -0.65 0.00 1.13 -1.26 -4.63 117.38 117.30 2rnl n GLN 39 Ca -0.01 0.23 0.50 0.00 -1.94 0.00 0.00 57.00 55.77 2rnl n GLN 39 Cb 0.50 -1.69 0.77 0.00 0.11 0.00 0.00 30.24 29.93 2rnl n GLN 39 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2rnl n GLN 40 N 0.09 -0.01 0.04 -1.09 1.13 -1.26 0.21 117.38 116.50 2rnl n GLN 40 Ca 0.11 1.09 -0.20 0.00 -1.94 0.00 0.00 57.00 56.06 2rnl n GLN 40 Cb 0.45 -2.43 -0.12 0.00 0.11 0.00 0.00 30.24 28.25 2rnl n GLN 40 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2rnl h GLU 41 N 0.00 0.53 -6.60 -1.09 4.39 -1.96 -3.46 114.58 106.39 2rnl h GLU 41 Ca 0.91 -0.64 -0.47 0.00 0.34 0.00 0.00 59.36 59.49 2rnl h GLU 41 Cb 3.51 0.20 0.02 0.00 -0.10 0.00 0.00 28.75 32.37 2rnl h GLU 41 CO -0.10 1.26 -0.14 0.71 -1.16 0.00 0.00 179.01 179.58 2rnl s TYR 42 N -3.06 3.48 -0.16 4.33 2.02 0.55 -4.33 117.35 120.18 2rnl s TYR 42 Ca -0.11 0.40 -0.32 0.00 -0.37 0.00 0.00 57.07 56.67 2rnl s TYR 42 Cb 0.04 -2.00 0.14 0.00 -0.40 0.00 0.00 41.96 39.74 2rnl s TYR 42 CO 0.88 0.01 1.12 -0.59 -1.57 0.00 0.00 175.55 175.40 2rnl s PHE 43 N -2.41 -0.21 0.00 2.71 -0.71 0.00 -4.00 117.98 113.36 2rnl s PHE 43 Ca 0.42 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.53 2rnl s PHE 43 Cb -0.10 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 2rnl s PHE 43 CO 0.38 -0.28 0.00 0.41 -1.34 0.00 0.00 175.22 174.39 2rnl n GLY 44 N 0.15 -1.51 3.77 1.99 0.00 -1.26 -3.93 105.19 104.40 2rnl n GLY 44 Ca -0.04 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 2rnl n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rnl s GLU 45 N 0.00 4.01 -0.11 1.61 2.56 -1.26 -3.08 118.70 122.43 2rnl s GLU 45 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 54.97 56.65 2rnl s GLU 45 Cb 0.00 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.60 2rnl s GLU 45 CO 0.00 -0.32 0.00 0.54 -0.56 0.00 0.00 175.26 174.92 2rnl n ARG 46 N -0.16 -2.11 -3.36 4.30 1.74 -1.26 -1.10 116.66 114.70 2rnl n ARG 46 Ca 0.06 0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.97 2rnl n ARG 46 Cb 0.48 -4.36 -0.04 0.00 -1.02 0.00 0.00 32.46 27.52 2rnl n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rnl n GLY 48 N -0.77 5.14 3.47 0.00 0.00 -0.26 -3.51 105.19 109.26 2rnl n GLY 48 Ca 0.06 -1.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.04 0.49 0.00 1.61 2.02 -1.25 -5.04 118.70 113.49 2rnl s GLU 49 Ca 0.52 1.21 0.01 0.00 0.02 0.00 0.00 54.97 56.73 2rnl s GLU 49 Cb 0.41 0.49 0.01 0.00 0.10 0.00 0.00 34.13 35.14 2rnl s GLU 49 CO -0.09 -0.21 0.53 0.36 0.02 0.00 0.00 175.26 175.88