#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2b s GLU 5 N 0.00 0.68 0.11 5.56 2.12 -1.26 -2.66 118.70 123.24 1w2b s GLU 5 Ca 0.00 -0.29 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 1w2b s GLU 5 Cb 0.00 -0.65 -0.09 0.00 0.26 0.00 0.00 34.13 33.64 1w2b s GLU 5 CO 0.00 0.16 1.68 0.00 -0.54 0.00 0.00 175.26 176.56 1w2b n ASP 7 N 5.23 0.00 0.00 0.00 8.00 -0.86 -2.09 116.55 126.83 1w2b n ASP 7 Ca 0.16 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 55.03 1w2b n ASP 7 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1w2b n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w2b n TYR 8 N -0.93 0.00 0.32 1.24 9.36 -1.26 -4.81 117.16 121.08 1w2b n TYR 8 Ca 0.11 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.48 1w2b n TYR 8 Cb 0.05 0.00 0.47 0.00 -0.63 0.00 0.00 39.34 39.23 1w2b n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1w2b n GLY 10 N 0.50 1.70 3.73 0.00 0.00 -0.89 -2.07 105.19 108.17 1w2b n GLY 10 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1w2b n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w2b s THR 11 N -2.72 3.29 -0.01 2.61 -4.23 -1.26 -4.33 115.64 108.98 1w2b s THR 11 Ca 0.00 1.04 -0.36 0.00 -1.18 0.00 0.00 61.69 61.19 1w2b s THR 11 Cb 0.00 -3.67 -0.15 0.00 1.34 0.00 0.00 72.50 70.02 1w2b s THR 11 CO 0.00 0.15 1.57 0.47 -0.54 0.00 0.00 174.62 176.27 1w2b n ASP 12 N 2.76 2.44 -4.62 3.99 8.00 -1.26 -2.58 116.55 125.27 1w2b n ASP 12 Ca 0.06 1.08 -0.43 0.00 0.71 0.00 0.00 54.79 56.21 1w2b n ASP 12 Cb 0.43 -1.26 -0.03 0.00 -0.02 0.00 0.00 41.12 40.24 1w2b n ASP 12 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1w2b s ILE 13 N 1.86 4.57 0.05 0.53 1.01 -1.09 -4.87 121.20 123.26 1w2b s ILE 13 Ca 0.88 1.49 -0.35 0.00 0.00 0.00 0.00 60.65 62.66 1w2b s ILE 13 Cb -0.88 -4.36 -0.14 0.00 0.01 0.00 0.00 42.46 37.09 1w2b s ILE 13 CO 0.50 -0.47 1.60 1.21 0.00 0.00 0.00 174.94 177.77 1w2b n GLU 14 N 6.77 1.83 -1.69 2.79 4.07 -1.26 -4.54 120.64 128.61 1w2b n GLU 14 Ca 0.09 0.66 -0.45 0.00 -0.06 0.00 0.00 57.16 57.41 1w2b n GLU 14 Cb 0.48 -2.41 -0.04 0.00 -0.06 0.00 0.00 31.44 29.41 1w2b n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1w2b n PRO 15 N 4.06 2.39 -0.68 5.31 -0.04 -1.26 -1.90 135.00 142.88 1w2b n PRO 15 Ca 0.19 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 1w2b n PRO 15 Cb 0.25 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1w2b n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1w2b n GLY 16 N 3.65 0.73 3.15 0.55 0.00 -1.26 -5.06 105.19 106.95 1w2b n GLY 16 Ca 0.17 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1w2b n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2b s THR 17 N -2.00 0.01 0.00 2.61 2.01 -0.80 -5.15 115.64 112.32 1w2b s THR 17 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1w2b s THR 17 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1w2b s THR 17 CO 0.00 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 1w2b n GLY 18 N 2.73 2.97 3.26 4.40 0.00 -1.26 -4.66 105.19 112.63 1w2b n GLY 18 Ca -0.14 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 1w2b n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w2b s THR 19 N -2.97 1.90 -0.35 2.61 2.01 -1.21 -4.99 115.64 112.64 1w2b s THR 19 Ca 0.00 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 1w2b s THR 19 Cb 0.00 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.94 1w2b s THR 19 CO 0.00 0.54 0.18 -0.32 -0.69 0.00 0.00 174.62 174.33 1w2b s MET 20 N -0.39 2.95 -0.09 4.92 1.75 -1.26 -2.46 119.30 124.72 1w2b s MET 20 Ca 0.04 -0.99 -0.22 0.00 -1.25 0.00 0.00 55.69 53.28 1w2b s MET 20 Cb -0.11 -3.66 -0.04 0.00 2.84 0.00 0.00 34.83 33.87 1w2b s MET 20 CO 0.01 -0.62 0.63 0.12 -0.65 0.00 0.00 175.02 174.51 1w2b s PHE 21 N 1.56 3.54 -0.25 4.11 5.36 -0.68 -4.92 117.98 126.69 1w2b s PHE 21 Ca 0.02 1.12 -0.09 0.00 -0.96 0.00 0.00 56.93 57.02 1w2b s PHE 21 Cb -0.19 -2.73 -0.04 0.00 -0.34 0.00 0.00 43.02 39.72 1w2b s PHE 21 CO 0.06 0.09 0.13 0.08 -1.46 0.00 0.00 175.22 174.11 1w2b s VAL 22 N 0.85 4.91 0.77 3.12 1.01 -1.26 -1.33 120.40 128.47 1w2b s VAL 22 Ca 0.33 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1w2b s VAL 22 Cb -0.17 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1w2b s VAL 22 CO 0.15 0.32 1.10 -1.00 0.00 0.00 0.00 175.10 175.68 1w2b s HIS 23 N 1.40 2.99 0.18 5.22 0.09 -0.14 -4.95 115.29 120.09 1w2b s HIS 23 Ca 0.06 1.08 -0.13 0.00 -0.00 0.00 0.00 55.06 56.07 1w2b s HIS 23 Cb -0.15 -3.14 0.13 0.00 -0.00 0.00 0.00 32.58 29.42 1w2b s HIS 23 CO 0.06 -1.59 1.80 -0.22 -0.00 0.00 0.00 174.74 174.79 1w2b h LYS 24 N -0.95 0.54 -0.45 1.40 3.64 -1.99 -2.13 116.57 116.63 1w2b h LYS 24 Ca -0.46 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1w2b h LYS 24 Cb 1.27 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1w2b h LYS 24 CO 0.61 0.36 0.21 0.38 -2.27 0.00 0.00 179.45 178.74 1w2b h ASP 25 N 0.56 0.56 0.00 4.20 -0.00 -2.05 -3.46 116.42 116.24 1w2b h ASP 25 Ca 0.22 -0.05 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 1w2b h ASP 25 Cb 0.09 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.27 1w2b h ASP 25 CO -0.13 0.49 0.00 0.61 -0.00 0.00 0.00 179.24 180.21 1w2b n GLY 26 N -1.23 1.09 3.43 7.15 0.00 -0.80 -5.13 105.19 109.71 1w2b n GLY 26 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1w2b n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2b n ALA 27 N 0.00 -3.23 -2.95 4.61 0.00 -1.26 -4.65 120.51 113.03 1w2b n ALA 27 Ca 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 53.44 52.11 1w2b n ALA 27 Cb 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 1w2b n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1w2b s THR 28 N -2.37 0.11 -0.18 0.00 2.01 -1.26 -0.96 115.64 112.99 1w2b s THR 28 Ca 0.67 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.69 1w2b s THR 28 Cb -0.24 -0.32 0.09 0.00 0.01 0.00 0.00 72.50 72.04 1w2b s THR 28 CO 0.66 -0.51 0.27 -0.89 -0.69 0.00 0.00 174.62 173.45 1w2b s THR 29 N -1.56 -0.42 -0.15 -0.82 2.01 -0.44 -4.98 115.64 109.28 1w2b s THR 29 Ca -0.15 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 1w2b s THR 29 Cb -0.09 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1w2b s THR 29 CO -0.01 -0.05 0.43 -1.00 -0.69 0.00 0.00 174.62 173.30 1w2b s HIS 30 N 2.41 3.47 0.18 4.92 3.76 -1.26 -1.69 115.29 127.07 1w2b s HIS 30 Ca 0.05 0.77 0.08 0.00 -0.15 0.00 0.00 55.06 55.82 1w2b s HIS 30 Cb -0.14 -2.51 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 1w2b s HIS 30 CO -0.11 0.13 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.80 1w2b s PHE 31 N 0.79 2.75 -0.07 1.40 0.40 -1.03 -2.02 117.98 120.20 1w2b s PHE 31 Ca 0.23 -0.17 0.08 0.00 -0.60 0.00 0.00 56.93 56.46 1w2b s PHE 31 Cb -0.15 -1.34 -0.24 0.00 0.51 0.00 0.00 43.02 41.81 1w2b s PHE 31 CO 0.08 0.52 0.57 0.00 0.70 0.00 0.00 175.22 177.09 1w2b s SER 33 N -6.31 0.12 0.30 0.00 1.04 -1.26 -4.46 113.70 103.13 1w2b s SER 33 Ca -0.09 -1.31 0.16 0.00 0.48 0.00 0.00 55.95 55.18 1w2b s SER 33 Cb 0.08 0.40 0.26 0.00 0.10 0.00 0.00 66.02 66.86 1w2b s SER 33 CO 0.81 -0.88 1.53 0.77 0.98 0.00 0.00 173.24 176.46 1w2b h SER 34 N 2.58 0.00 -0.44 7.02 4.64 -1.98 -2.96 113.55 122.41 1w2b h SER 34 Ca -0.35 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.05 1w2b h SER 34 Cb 1.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.27 1w2b h SER 34 CO 0.51 0.49 0.04 0.50 -0.87 0.00 0.00 176.83 177.50 1w2b h LYS 35 N 0.00 0.16 0.00 4.77 3.64 -1.97 0.72 116.57 123.89 1w2b h LYS 35 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1w2b h LYS 35 Cb 1.25 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1w2b h LYS 35 CO 0.06 0.10 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 1w2b h GLU 37 N 0.00 0.13 0.00 0.00 5.08 -0.83 -3.22 114.58 115.74 1w2b h GLU 37 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1w2b h GLU 37 Cb 0.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1w2b h GLU 37 CO 0.00 0.98 0.00 0.09 -1.00 0.00 0.00 179.01 179.08 1w2b n ASN 38 N -4.49 0.00 -0.00 1.42 3.02 0.23 -2.82 115.26 112.62 1w2b n ASN 38 Ca -0.10 -0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.01 1w2b n ASN 38 Cb 0.54 -0.20 -0.14 0.00 -0.61 0.00 0.00 39.78 39.37 1w2b n ASN 38 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1w2b n ASN 39 N -1.20 2.11 0.17 6.41 4.13 -0.68 -4.22 115.26 121.98 1w2b n ASN 39 Ca 0.12 0.20 0.05 0.00 1.68 0.00 0.00 54.58 56.63 1w2b n ASN 39 Cb 0.14 -0.85 0.16 0.00 -1.54 0.00 0.00 39.78 37.69 1w2b n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1w2b h ALA 40 N 0.05 0.80 0.00 5.41 0.00 -1.55 -2.77 119.26 121.20 1w2b h ALA 40 Ca -0.43 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1w2b h ALA 40 Cb 2.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1w2b h ALA 40 CO 0.07 0.48 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 1w2b n ASP 41 N -3.27 0.00 -1.00 0.00 8.00 -1.13 -1.79 116.55 117.37 1w2b n ASP 41 Ca 0.02 -0.57 0.11 0.00 0.71 0.00 0.00 54.79 55.05 1w2b n ASP 41 Cb 0.63 -0.06 0.15 0.00 -0.02 0.00 0.00 41.12 41.83 1w2b n ASP 41 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1w2b n LEU 42 N -1.06 3.14 -0.14 0.64 4.77 -1.05 -4.95 117.00 118.36 1w2b n LEU 42 Ca 0.16 -1.29 -0.02 0.00 -0.03 0.00 0.00 56.01 54.83 1w2b n LEU 42 Cb 0.10 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1w2b n LEU 42 CO 0.14 0.62 -0.02 0.61 -1.33 0.00 0.00 177.39 177.41 1w2b n GLY 43 N 1.33 0.51 3.94 -0.72 0.00 -0.74 -5.04 105.19 104.47 1w2b n GLY 43 Ca 0.16 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1w2b n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2b s ARG 44 N -2.22 3.49 -0.10 1.61 0.52 -1.23 -5.07 118.95 115.96 1w2b s ARG 44 Ca 0.00 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1w2b s ARG 44 Cb 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.79 1w2b s ARG 44 CO 0.00 0.19 -0.21 -1.21 0.02 0.00 0.00 175.30 174.09 1w2b s GLU 45 N -4.19 2.74 0.58 3.54 2.02 -1.26 -4.57 118.70 117.57 1w2b s GLU 45 Ca 0.40 -0.77 0.30 0.00 0.02 0.00 0.00 54.97 54.92 1w2b s GLU 45 Cb -0.10 -2.13 1.39 0.00 0.10 0.00 0.00 34.13 33.39 1w2b s GLU 45 CO 0.35 0.11 1.75 0.00 0.02 0.00 0.00 175.26 177.49 1w2b h ALA 46 N 6.89 2.56 0.00 5.21 0.00 -1.93 0.24 119.26 132.23 1w2b h ALA 46 Ca -0.24 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1w2b h ALA 46 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1w2b h ALA 46 CO 0.48 -1.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.34 1w2b h ARG 47 N 0.00 0.00 0.00 0.00 3.08 -1.89 -3.16 114.38 112.40 1w2b h ARG 47 Ca 0.35 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.23 1w2b h ARG 47 Cb 1.79 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 1w2b h ARG 47 CO -0.00 0.29 -0.87 -0.91 -1.07 0.00 0.00 179.97 177.41 1w2b h ASN 48 N 0.00 0.00 -3.33 7.04 2.35 -0.93 -3.40 115.58 117.31 1w2b h ASN 48 Ca -0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 1w2b h ASN 48 Cb 0.96 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.25 1w2b h ASN 48 CO 0.04 0.81 0.35 -0.76 -1.65 0.00 0.00 177.43 176.22 1w2b s LEU 49 N -6.56 4.13 0.41 1.61 1.43 -1.19 -4.94 118.68 113.57 1w2b s LEU 49 Ca 0.02 1.04 0.29 0.00 -1.03 0.00 0.00 54.13 54.45 1w2b s LEU 49 Cb 0.09 -3.14 1.22 0.00 0.03 0.00 0.00 46.19 44.39 1w2b s LEU 49 CO 0.79 -0.41 1.86 -0.33 0.23 0.00 0.00 176.35 178.50 1w2b h GLU 50 N 7.50 0.00 0.00 1.70 5.08 -1.85 -3.05 114.58 123.96 1w2b h GLU 50 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1w2b h GLU 50 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1w2b h GLU 50 CO 0.83 0.00 -0.24 -2.67 -1.00 0.00 0.00 179.01 175.93 1w2b n TRP 51 N -2.67 0.62 -3.07 4.33 4.27 -1.26 -4.62 117.44 115.05 1w2b n TRP 51 Ca 0.01 0.18 -0.39 0.00 -3.89 0.00 0.00 57.50 53.41 1w2b n TRP 51 Cb 0.25 -0.74 -0.05 0.00 -1.36 0.00 0.00 31.31 29.41 1w2b n TRP 51 CO 0.00 0.00 0.00 0.99 -2.29 0.00 0.00 177.69 176.39 1w2b s THR 52 N -3.10 4.83 0.52 -1.67 2.01 -1.15 -4.95 115.64 112.13 1w2b s THR 52 Ca 0.10 1.47 0.26 0.00 0.31 0.00 0.00 61.69 63.83 1w2b s THR 52 Cb 0.14 -4.04 0.42 0.00 0.01 0.00 0.00 72.50 69.03 1w2b s THR 52 CO 0.64 0.37 1.94 0.44 -0.69 0.00 0.00 174.62 177.32 1w2b h ASP 53 N 5.81 0.06 -0.49 3.53 5.19 -1.76 -1.15 116.42 127.61 1w2b h ASP 53 Ca -0.44 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.03 1w2b h ASP 53 Cb 1.20 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 40.66 1w2b h ASP 53 CO 0.71 0.03 0.20 0.74 -3.12 0.00 0.00 179.24 177.80 1w2b h THR 54 N 0.06 0.89 0.00 0.35 2.02 -1.69 -0.79 112.91 113.75 1w2b h THR 54 Ca 0.34 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.38 1w2b h THR 54 Cb 1.25 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1w2b h THR 54 CO -0.02 0.07 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1w2b h ALA 55 N 1.30 1.00 -3.00 6.16 0.00 -1.29 -3.45 119.26 119.98 1w2b h ALA 55 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1w2b h ALA 55 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1w2b h ALA 55 CO -0.20 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.59 1w2b n ARG 56 N -2.72 3.35 0.00 0.00 1.74 -0.30 -4.97 116.66 113.76 1w2b n ARG 56 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1w2b n ARG 56 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.83 1w2b n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52