#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8w s VAL 2 N 0.00 5.18 0.13 -4.37 1.01 -1.26 -5.08 120.40 116.02 1b8w s VAL 2 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1b8w s VAL 2 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1b8w s VAL 2 CO 0.00 0.46 0.17 0.00 0.00 0.00 0.00 175.10 175.73 1b8w n GLN 3 N 3.43 0.24 -0.10 2.72 0.00 -1.26 -5.10 117.38 117.30 1b8w n GLN 3 Ca -0.16 -1.09 -0.15 0.00 0.00 0.00 0.00 57.00 55.59 1b8w n GLN 3 Cb 0.52 1.02 -0.05 0.00 0.00 0.00 0.00 30.24 31.73 1b8w n GLN 3 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1b8w n HIS 4 N -0.22 0.01 -3.39 2.61 -0.00 -1.26 -5.01 115.22 107.95 1b8w n HIS 4 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 1b8w n HIS 4 Cb 0.22 -0.65 -0.01 0.00 -0.00 0.00 0.00 29.99 29.55 1b8w n HIS 4 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1b8w s ARG 5 N -2.79 3.43 0.00 1.57 1.81 -1.26 -5.11 118.95 116.60 1b8w s ARG 5 Ca -0.32 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 1b8w s ARG 5 Cb 0.07 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1b8w s ARG 5 CO 0.45 0.13 0.00 -0.35 -0.68 0.00 0.00 175.30 174.85 1b8w n PRO 6 N -1.78 1.81 -4.16 3.54 -0.04 -1.26 -5.00 135.00 128.11 1b8w n PRO 6 Ca -0.04 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.06 1b8w n PRO 6 Cb 0.56 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 1b8w n PRO 6 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1b8w s ARG 7 N 0.00 3.14 0.00 0.54 0.52 -1.26 -5.01 118.95 116.88 1b8w s ARG 7 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1b8w s ARG 7 Cb 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.54 1b8w s ARG 7 CO 0.00 0.71 0.00 -0.40 0.02 0.00 0.00 175.30 175.63 1b8w n ASP 8 N 1.87 -0.77 -0.05 0.23 5.68 -1.26 0.17 116.55 122.42 1b8w n ASP 8 Ca -0.18 -0.22 -0.11 0.00 -0.50 0.00 0.00 54.79 53.79 1b8w n ASP 8 Cb 0.54 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.48 1b8w n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1b8w h GLU 10 N -0.32 0.00 0.00 0.00 4.81 -1.78 -0.09 114.58 117.20 1b8w h GLU 10 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1b8w h GLU 10 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1b8w h GLU 10 CO -0.14 0.41 0.00 0.45 -0.73 0.00 0.00 179.01 179.00 1b8w n SER 11 N -3.65 0.00 0.00 1.04 2.88 -1.26 -2.17 113.62 110.46 1b8w n SER 11 Ca -0.01 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1b8w n SER 11 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1b8w n SER 11 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1b8w n ILE 12 N -0.97 0.43 -2.31 2.46 -0.00 -0.97 -4.99 119.36 113.00 1b8w n ILE 12 Ca 0.16 -0.65 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1b8w n ILE 12 Cb 0.08 0.85 0.00 0.00 -0.00 0.00 0.00 39.64 40.56 1b8w n ILE 12 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 1b8w n ASN 13 N -0.22 -1.75 -4.54 7.28 5.15 -0.92 -5.07 115.26 115.18 1b8w n ASN 13 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 1b8w n ASN 13 Cb 0.16 -0.48 -0.10 0.00 -0.53 0.00 0.00 39.78 38.83 1b8w n ASN 13 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1b8w s GLY 14 N -2.96 2.53 0.21 8.20 0.00 -0.08 -4.78 107.32 110.44 1b8w s GLY 14 Ca 0.00 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.13 1b8w s GLY 14 CO 0.00 -2.01 0.18 0.54 0.00 0.00 0.00 173.10 171.81 1b8w s VAL 15 N -2.97 4.52 -0.33 1.40 0.11 -0.90 -3.75 120.40 118.48 1b8w s VAL 15 Ca 0.27 -1.24 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1b8w s VAL 15 Cb 0.07 -3.39 0.09 0.00 -1.53 0.00 0.00 36.38 31.62 1b8w s VAL 15 CO 0.13 -0.24 0.02 0.00 -3.33 0.00 0.00 175.10 171.68 1b8w n ARG 17 N 4.29 3.91 -3.24 0.00 1.74 -0.17 -4.85 116.66 118.34 1b8w n ARG 17 Ca 0.01 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.72 1b8w n ARG 17 Cb 0.42 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.80 1b8w n ARG 17 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1b8w s HIS 18 N 2.10 3.71 -2.00 -1.55 3.76 -1.26 -1.35 115.29 118.70 1b8w s HIS 18 Ca 0.00 1.25 0.22 0.00 -0.15 0.00 0.00 55.06 56.38 1b8w s HIS 18 Cb 0.00 -2.50 1.30 0.00 1.11 0.00 0.00 32.58 32.49 1b8w s HIS 18 CO 0.00 0.47 1.70 0.36 -0.85 0.00 0.00 174.74 176.42 1b8w n LYS 19 N 1.17 0.75 -0.94 1.40 2.85 -1.06 -2.57 118.16 119.76 1b8w n LYS 19 Ca -0.06 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.25 1b8w n LYS 19 Cb 0.51 -1.45 0.11 0.00 -0.65 0.00 0.00 35.03 33.55 1b8w n LYS 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1b8w n ASP 20 N -0.95 1.33 0.00 -5.58 -0.08 -1.26 -5.01 116.55 105.00 1b8w n ASP 20 Ca 0.16 -2.91 0.00 0.00 -1.51 0.00 0.00 54.79 50.54 1b8w n ASP 20 Cb 0.07 -0.40 0.00 0.00 2.34 0.00 0.00 41.12 43.13 1b8w n ASP 20 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1b8w n THR 21 N -0.38 0.00 0.06 5.18 -1.04 -1.06 -5.04 114.28 112.00 1b8w n THR 21 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 1b8w n THR 21 Cb 0.88 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1b8w n THR 21 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1b8w n VAL 22 N 0.00 0.00 -1.87 12.58 3.14 -1.26 -4.97 118.33 125.94 1b8w n VAL 22 Ca 0.00 0.00 0.05 0.00 -2.96 0.00 0.00 64.34 61.43 1b8w n VAL 22 Cb 0.00 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 32.91 1b8w n VAL 22 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1b8w n ASN 23 N -2.65 1.45 -4.14 6.55 2.85 -1.26 -4.92 115.26 113.13 1b8w n ASN 23 Ca 0.00 -3.14 -0.44 0.00 -0.11 0.00 0.00 54.58 50.89 1b8w n ASN 23 Cb 0.00 -0.43 0.01 0.00 1.24 0.00 0.00 39.78 40.59 1b8w n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1b8w n ARG 25 N 2.25 0.00 -3.92 0.00 1.74 -1.26 -4.70 116.66 110.77 1b8w n ARG 25 Ca 0.27 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.08 1b8w n ARG 25 Cb 0.36 -0.48 -0.03 0.00 -1.02 0.00 0.00 32.46 31.29 1b8w n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1b8w s GLU 26 N 0.23 3.45 -0.67 5.56 -6.30 -1.23 -1.73 118.70 118.01 1b8w s GLU 26 Ca 0.30 -0.55 -0.15 0.00 -2.50 0.00 0.00 54.97 52.07 1b8w s GLU 26 Cb -0.42 -2.96 0.17 0.00 0.00 0.00 0.00 34.13 30.91 1b8w s GLU 26 CO 0.20 0.52 0.62 0.42 0.02 0.00 0.00 175.26 177.05 1b8w s ILE 27 N -1.72 5.37 -1.03 -3.70 1.01 -0.13 -4.85 121.20 116.15 1b8w s ILE 27 Ca 0.35 -1.90 0.00 0.00 0.00 0.00 0.00 60.65 59.10 1b8w s ILE 27 Cb -0.11 -4.40 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1b8w s ILE 27 CO 0.28 -0.95 0.00 0.49 0.00 0.00 0.00 174.94 174.77 1b8w n PHE 28 N 4.73 0.00 0.00 3.97 3.01 -1.26 -1.12 117.46 126.79 1b8w n PHE 28 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1b8w n PHE 28 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1b8w n PHE 28 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1b8w n LEU 29 N 0.40 1.75 -4.79 4.37 4.77 -1.26 -5.05 117.00 117.19 1b8w n LEU 29 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1b8w n LEU 29 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1b8w n LEU 29 CO 0.00 0.29 -0.14 0.00 -1.33 0.00 0.00 177.39 176.22 1b8w s ALA 30 N -1.68 3.74 0.47 -1.18 0.00 -0.28 -4.29 121.76 118.55 1b8w s ALA 30 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1b8w s ALA 30 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.00 1b8w s ALA 30 CO 0.00 0.33 0.59 -0.51 0.00 0.00 0.00 175.76 176.17 1b8w s ASP 31 N -0.20 5.31 0.00 0.00 1.11 0.46 -3.89 116.67 119.46 1b8w s ASP 31 Ca 0.13 -0.67 0.00 0.00 0.18 0.00 0.00 52.55 52.19 1b8w s ASP 31 Cb -0.12 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.59 1b8w s ASP 31 CO 0.02 -0.94 0.00 0.00 1.18 0.00 0.00 175.17 175.43 1b8w n TYR 33 N 0.00 0.00 0.18 0.00 4.01 -1.26 -4.74 117.16 115.35 1b8w n TYR 33 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1b8w n TYR 33 Cb 0.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1b8w n TYR 33 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 1b8w h ASN 34 N 0.00 0.00 0.00 7.72 2.35 -1.97 -3.48 115.58 120.20 1b8w h ASN 34 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1b8w h ASN 34 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1b8w h ASN 34 CO 0.00 0.02 0.00 0.47 -1.65 0.00 0.00 177.43 176.27 1b8w n ASP 35 N -2.62 0.00 -0.06 5.81 9.92 -1.26 -4.68 116.55 123.66 1b8w n ASP 35 Ca 0.01 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.28 1b8w n ASP 35 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1b8w n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b8w n GLY 36 N -1.71 -0.76 3.75 0.44 0.00 -1.26 -5.02 105.19 100.63 1b8w n GLY 36 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1b8w n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b8w s GLN 37 N -0.43 2.84 0.51 1.61 -0.21 -1.26 -2.55 119.66 120.18 1b8w s GLN 37 Ca 0.02 -0.68 0.02 0.00 0.02 0.00 0.00 55.36 54.73 1b8w s GLN 37 Cb 0.02 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 1b8w s GLN 37 CO 0.04 0.58 0.04 -1.59 -2.12 0.00 0.00 175.29 172.24 1b8w s LYS 38 N -2.22 2.20 0.22 2.91 0.00 -0.45 -3.80 119.74 118.60 1b8w s LYS 38 Ca 0.27 -2.36 -0.12 0.00 0.00 0.00 0.00 55.97 53.76 1b8w s LYS 38 Cb -0.12 -1.59 -0.07 0.00 0.00 0.00 0.00 37.83 36.05 1b8w s LYS 38 CO 0.19 -0.38 0.59 0.00 0.00 0.00 0.00 175.35 175.75 1b8w n ARG 41 N 2.52 0.26 0.00 0.00 1.74 -0.70 -2.13 116.66 118.35 1b8w n ARG 41 Ca -0.16 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 1b8w n ARG 41 Cb 0.58 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 1b8w n ARG 41 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74