#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 0.00 -0.16 -4.37 1.01 -1.26 -5.06 120.40 110.56 1b8w s VAL 2 Ca 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1b8w s VAL 2 Cb 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1b8w s VAL 2 CO 0.00 0.00 0.17 1.67 0.00 0.00 0.00 175.10 176.94 1b8w n GLN 3 N -0.38 -3.69 -3.26 2.72 7.27 -1.26 -4.96 117.38 113.83 1b8w n GLN 3 Ca -0.00 2.86 -0.27 0.00 0.07 0.00 0.00 57.00 59.66 1b8w n GLN 3 Cb 0.63 -4.13 -0.07 0.00 2.41 0.00 0.00 30.24 29.09 1b8w n GLN 3 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1b8w n HIS 4 N 1.75 3.51 -3.78 3.69 -0.00 -1.26 -5.03 115.22 114.10 1b8w n HIS 4 Ca -0.28 -4.07 -0.14 0.00 0.46 0.00 0.00 57.72 53.68 1b8w n HIS 4 Cb 0.45 -0.53 -0.15 0.00 -0.12 0.00 0.00 29.99 29.65 1b8w n HIS 4 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1b8w s ARG 5 N -2.72 0.01 0.00 1.57 0.52 -1.26 -5.12 118.95 111.95 1b8w s ARG 5 Ca 0.42 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.84 1b8w s ARG 5 Cb 0.19 -0.18 0.00 0.00 0.52 0.00 0.00 34.95 35.49 1b8w s ARG 5 CO -0.06 -0.13 0.00 -2.30 0.02 0.00 0.00 175.30 172.83 1b8w n PRO 6 N 3.96 0.00 -4.64 3.54 -0.02 -1.26 -4.83 135.00 131.75 1b8w n PRO 6 Ca -0.24 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.01 1b8w n PRO 6 Cb 0.52 -0.21 -0.15 0.00 -0.02 0.00 0.00 33.50 33.64 1b8w n PRO 6 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1b8w s ARG 7 N 0.00 1.21 0.56 -0.52 3.00 -1.23 -5.02 118.95 116.95 1b8w s ARG 7 Ca 0.00 -0.49 -0.18 0.00 0.00 0.00 0.00 55.73 55.06 1b8w s ARG 7 Cb 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 34.95 33.76 1b8w s ARG 7 CO 0.00 0.27 1.10 0.16 0.00 0.00 0.00 175.30 176.83 1b8w s ASP 8 N -0.21 5.71 0.05 0.23 -4.77 -1.26 0.16 116.67 116.59 1b8w s ASP 8 Ca 0.03 2.05 -0.22 0.00 -3.30 0.00 0.00 52.55 51.11 1b8w s ASP 8 Cb -0.07 -2.57 -0.14 0.00 -1.09 0.00 0.00 42.92 39.06 1b8w s ASP 8 CO -0.00 -1.22 1.49 0.00 0.70 0.00 0.00 175.17 176.14 1b8w h GLU 10 N -0.07 0.32 0.00 0.00 4.22 -1.82 0.50 114.58 117.73 1b8w h GLU 10 Ca 0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.43 1b8w h GLU 10 Cb 0.33 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1b8w h GLU 10 CO 0.00 0.23 -0.11 0.66 -2.18 0.00 0.00 179.01 177.61 1b8w h SER 11 N 0.33 0.00 -0.02 1.04 4.64 -1.88 -2.07 113.55 115.59 1b8w h SER 11 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1b8w h SER 11 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1b8w h SER 11 CO -0.02 0.11 -0.17 2.30 -0.87 0.00 0.00 176.83 178.18 1b8w n ILE 12 N -3.32 0.00 -2.13 0.95 -5.35 -0.15 -4.96 119.36 104.39 1b8w n ILE 12 Ca -0.00 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1b8w n ILE 12 Cb 0.31 1.38 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 1b8w n ILE 12 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1b8w n ASN 13 N 0.83 -1.89 -0.73 7.28 4.05 -0.70 -5.08 115.26 119.03 1b8w n ASN 13 Ca 0.12 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1b8w n ASN 13 Cb 0.55 -0.47 0.00 0.00 1.23 0.00 0.00 39.78 41.09 1b8w n ASN 13 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b8w n GLY 14 N -0.70 6.35 3.38 8.20 0.00 -0.02 -4.81 105.19 117.59 1b8w n GLY 14 Ca 0.00 -2.05 -0.20 0.00 0.00 0.00 0.00 46.02 43.77 1b8w n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b8w s VAL 15 N 0.12 1.79 -0.31 1.61 0.11 -0.83 -4.34 120.40 118.54 1b8w s VAL 15 Ca 0.00 -2.21 0.03 0.00 -2.93 0.00 0.00 61.98 56.87 1b8w s VAL 15 Cb 0.00 -2.18 0.09 0.00 -1.53 0.00 0.00 36.38 32.76 1b8w s VAL 15 CO 0.00 -0.50 0.01 0.00 -3.33 0.00 0.00 175.10 171.28 1b8w n ARG 17 N 4.38 3.92 -3.29 0.00 3.00 -0.49 -4.79 116.66 119.38 1b8w n ARG 17 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.45 1b8w n ARG 17 Cb 0.42 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.82 1b8w n ARG 17 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1b8w s HIS 18 N 2.23 3.70 -2.00 -0.14 2.46 -1.26 -1.03 115.29 119.25 1b8w s HIS 18 Ca 0.00 1.14 0.01 0.00 0.47 0.00 0.00 55.06 56.67 1b8w s HIS 18 Cb 0.00 -2.51 0.03 0.00 -0.13 0.00 0.00 32.58 29.97 1b8w s HIS 18 CO 0.00 0.45 0.39 0.36 -2.47 0.00 0.00 174.74 173.46 1b8w n LYS 19 N 2.41 0.02 -0.75 2.88 -0.00 0.22 0.01 118.16 122.96 1b8w n LYS 19 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.25 1b8w n LYS 19 Cb 0.51 -1.35 0.05 0.00 -0.00 0.00 0.00 35.03 34.25 1b8w n LYS 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1b8w n ASP 20 N -0.85 0.90 0.00 -5.58 2.03 -1.26 -5.01 116.55 106.77 1b8w n ASP 20 Ca 0.00 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1b8w n ASP 20 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1b8w n ASP 20 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1b8w n THR 21 N -0.22 0.00 0.02 5.18 -1.04 0.10 -5.00 114.28 113.32 1b8w n THR 21 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1b8w n THR 21 Cb 0.83 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 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 -2.13 12.58 3.14 -1.26 -4.97 118.33 125.68 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 0.09 0.00 -1.06 0.00 0.00 33.84 32.87 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 -2.32 1.27 -3.95 6.55 2.85 -1.26 -4.93 115.26 113.47 1b8w n ASN 23 Ca 0.00 -2.75 -0.42 0.00 -0.11 0.00 0.00 54.58 51.30 1b8w n ASN 23 Cb 0.00 -0.39 0.01 0.00 1.24 0.00 0.00 39.78 40.64 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 1.17 0.00 -3.91 0.00 0.00 -1.26 -4.40 116.66 108.26 1b8w n ARG 25 Ca 0.28 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.79 1b8w n ARG 25 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.73 1b8w n ARG 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1b8w s GLU 26 N 0.00 3.42 -0.87 2.89 2.12 -1.24 -0.97 118.70 124.05 1b8w s GLU 26 Ca 0.00 -0.29 -0.10 0.00 0.36 0.00 0.00 54.97 54.94 1b8w s GLU 26 Cb 0.00 -3.11 0.23 0.00 0.26 0.00 0.00 34.13 31.51 1b8w s GLU 26 CO 0.00 0.70 0.81 0.42 -0.54 0.00 0.00 175.26 176.64 1b8w s ILE 27 N -1.25 5.34 0.00 -3.70 1.01 -0.05 -4.85 121.20 117.69 1b8w s ILE 27 Ca 0.24 -2.89 0.00 0.00 0.00 0.00 0.00 60.65 58.00 1b8w s ILE 27 Cb -0.12 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1b8w s ILE 27 CO 0.15 -1.05 0.81 0.49 0.00 0.00 0.00 174.94 175.34 1b8w n PHE 28 N 3.45 0.00 -0.11 3.97 3.72 -1.26 -0.95 117.46 126.28 1b8w n PHE 28 Ca 0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.63 1b8w n PHE 28 Cb 0.43 -0.31 0.13 0.00 -0.94 0.00 0.00 39.48 38.79 1b8w n PHE 28 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1b8w n LEU 29 N -2.17 0.02 -4.93 4.37 4.77 -1.26 -4.14 117.00 113.64 1b8w n LEU 29 Ca 0.00 0.54 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 1b8w n LEU 29 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 1b8w n LEU 29 CO 0.00 -0.57 -0.07 0.00 -1.33 0.00 0.00 177.39 175.43 1b8w s ALA 30 N -4.88 3.93 0.49 -1.18 0.00 -0.13 -3.52 121.76 116.48 1b8w s ALA 30 Ca -0.04 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1b8w s ALA 30 Cb 0.10 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1b8w s ALA 30 CO 0.25 0.56 0.08 -0.25 0.00 0.00 0.00 175.76 176.39 1b8w n ASP 31 N -0.43 3.21 -0.05 0.00 8.00 0.43 -4.54 116.55 123.17 1b8w n ASP 31 Ca -0.06 -3.06 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1b8w n ASP 31 Cb 0.53 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1b8w n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b8w n TYR 33 N 0.00 0.00 0.00 0.00 4.01 -1.26 -4.73 117.16 115.18 1b8w n TYR 33 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1b8w n TYR 33 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1b8w n TYR 33 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1b8w n ASN 34 N 0.00 0.00 0.00 7.72 3.02 -1.26 -5.06 115.26 119.68 1b8w n ASN 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1b8w n ASN 34 Cb 0.02 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1b8w n ASN 34 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b8w n ASP 35 N 0.00 0.28 -0.15 6.41 8.00 -1.26 -4.85 116.55 124.98 1b8w n ASP 35 Ca 0.00 -0.01 0.01 0.00 0.71 0.00 0.00 54.79 55.50 1b8w n ASP 35 Cb 0.00 0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.18 1b8w n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b8w n GLY 36 N 0.15 -0.47 3.64 0.44 0.00 -1.26 -5.05 105.19 102.64 1b8w n GLY 36 Ca 0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.38 2.61 0.25 1.61 -0.21 -1.23 0.73 119.66 123.04 1b8w s GLN 37 Ca 0.03 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1b8w s GLN 37 Cb 0.02 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 1b8w s GLN 37 CO 0.00 0.59 0.07 0.36 -2.12 0.00 0.00 175.29 174.20 1b8w n LYS 38 N 1.28 0.81 -3.35 2.91 -0.00 -0.20 -4.26 118.16 115.35 1b8w n LYS 38 Ca -0.14 -2.05 -0.34 0.00 -0.00 0.00 0.00 58.31 55.78 1b8w n LYS 38 Cb 0.52 1.02 -0.06 0.00 -0.00 0.00 0.00 35.03 36.52 1b8w n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b8w n ARG 41 N 0.75 1.38 -0.09 0.00 1.74 -0.15 -1.97 116.66 118.32 1b8w n ARG 41 Ca -0.18 -0.67 0.00 0.00 -0.77 0.00 0.00 57.85 56.23 1b8w n ARG 41 Cb 0.58 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1b8w n ARG 41 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74