#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 s GLU 5 N 0.00 3.58 0.23 -0.14 2.12 -1.26 -3.75 118.70 119.48 3i55 s GLU 5 Ca 0.00 -0.15 -0.31 0.00 0.36 0.00 0.00 54.97 54.86 3i55 s GLU 5 Cb 0.00 -2.92 -0.11 0.00 0.26 0.00 0.00 34.13 31.35 3i55 s GLU 5 CO 0.00 0.52 1.64 0.00 -0.54 0.00 0.00 175.26 176.88 3i55 n ASP 7 N 3.35 1.69 0.00 0.00 8.00 -1.16 -3.68 116.55 124.74 3i55 n ASP 7 Ca 0.13 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3i55 n ASP 7 Cb 0.37 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 3i55 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i55 n TYR 8 N 0.09 -0.20 0.68 1.24 9.36 -1.26 -4.83 117.16 122.25 3i55 n TYR 8 Ca 0.04 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.38 3i55 n TYR 8 Cb 0.39 0.22 0.47 0.00 -0.63 0.00 0.00 39.34 39.79 3i55 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i55 n GLY 10 N 0.78 2.50 1.93 0.00 0.00 -1.24 -1.78 105.19 107.39 3i55 n GLY 10 Ca 0.05 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 3i55 n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i55 n THR 11 N 0.00 0.54 -2.31 2.61 -2.24 -1.26 -3.50 114.28 108.11 3i55 n THR 11 Ca 0.00 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3i55 n THR 11 Cb 0.00 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3i55 n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3i55 s ASP 12 N -0.58 6.91 0.36 3.42 1.01 -1.26 -2.39 116.67 124.13 3i55 s ASP 12 Ca 0.35 1.95 -0.25 0.00 0.71 0.00 0.00 52.55 55.31 3i55 s ASP 12 Cb -0.41 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 40.87 3i55 s ASP 12 CO 0.36 -0.71 0.98 -0.63 0.21 0.00 0.00 175.17 175.38 3i55 s ILE 13 N 2.75 4.07 -0.47 0.77 1.01 -1.25 -4.92 121.20 123.16 3i55 s ILE 13 Ca 0.61 1.62 -0.28 0.00 0.00 0.00 0.00 60.65 62.60 3i55 s ILE 13 Cb -0.28 -3.86 0.03 0.00 0.01 0.00 0.00 42.46 38.37 3i55 s ILE 13 CO 0.23 0.05 1.10 -0.70 0.00 0.00 0.00 174.94 175.61 3i55 s GLU 14 N -2.32 3.69 -0.16 2.79 2.56 -1.26 -4.86 118.70 119.14 3i55 s GLU 14 Ca 0.54 0.50 -0.38 0.00 0.00 0.00 0.00 54.97 55.63 3i55 s GLU 14 Cb -0.19 -3.91 -0.15 0.00 2.00 0.00 0.00 34.13 31.89 3i55 s GLU 14 CO 0.24 -1.34 1.71 -0.35 -0.56 0.00 0.00 175.26 174.95 3i55 n PRO 15 N 7.69 1.42 -0.36 4.30 -0.04 -1.26 -1.25 135.00 145.51 3i55 n PRO 15 Ca 0.11 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 3i55 n PRO 15 Cb 0.49 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3i55 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i55 n GLY 16 N 3.96 1.63 3.43 0.55 0.00 -1.26 -5.08 105.19 108.41 3i55 n GLY 16 Ca 0.24 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3i55 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 17 N -2.00 0.01 0.00 2.61 2.01 -0.38 -5.17 115.64 112.72 3i55 s THR 17 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 3i55 s THR 17 Cb 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 72.50 71.74 3i55 s THR 17 CO 0.00 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 3i55 n GLY 18 N 2.29 2.22 3.21 4.40 0.00 -1.26 -4.70 105.19 111.34 3i55 n GLY 18 Ca -0.15 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.60 3i55 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i55 s THR 19 N -2.27 1.38 -0.19 2.61 2.01 -1.15 -5.02 115.64 113.01 3i55 s THR 19 Ca 0.00 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.74 3i55 s THR 19 Cb 0.00 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.26 3i55 s THR 19 CO 0.00 -0.02 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.47 3i55 s MET 20 N -1.48 3.23 -0.29 4.92 1.75 -1.26 -1.71 119.30 124.46 3i55 s MET 20 Ca 0.03 -0.72 -0.08 0.00 -1.25 0.00 0.00 55.69 53.68 3i55 s MET 20 Cb -0.09 -2.78 -0.01 0.00 2.84 0.00 0.00 34.83 34.79 3i55 s MET 20 CO 0.02 -0.14 0.11 0.12 -0.65 0.00 0.00 175.02 174.48 3i55 s PHE 21 N 1.23 3.14 -0.62 4.11 5.36 -0.68 -4.98 117.98 125.54 3i55 s PHE 21 Ca 0.03 -0.63 -0.22 0.00 -0.96 0.00 0.00 56.93 55.14 3i55 s PHE 21 Cb -0.14 -2.29 0.07 0.00 -0.34 0.00 0.00 43.02 40.32 3i55 s PHE 21 CO -0.05 -0.46 0.88 0.08 -1.46 0.00 0.00 175.22 174.21 3i55 s VAL 22 N 1.58 4.48 1.17 3.12 1.01 -1.26 -2.12 120.40 128.39 3i55 s VAL 22 Ca 0.05 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 3i55 s VAL 22 Cb -0.16 -4.59 0.21 0.00 0.00 0.00 0.00 36.38 31.84 3i55 s VAL 22 CO 0.04 -1.29 0.51 1.41 0.00 0.00 0.00 175.10 175.78 3i55 n HIS 23 N 7.26 -1.49 -0.09 5.22 -0.00 0.51 -4.81 115.22 121.81 3i55 n HIS 23 Ca -0.05 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.72 57.50 3i55 n HIS 23 Cb 0.45 -1.61 -0.07 0.00 -0.00 0.00 0.00 29.99 28.77 3i55 n HIS 23 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 3i55 h LYS 24 N -2.47 -0.39 -0.63 -0.41 1.63 -1.96 -1.75 116.57 110.58 3i55 h LYS 24 Ca -0.58 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.17 3i55 h LYS 24 Cb 1.35 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 33.04 3i55 h LYS 24 CO 0.44 -0.26 0.12 0.38 -3.45 0.00 0.00 179.45 176.68 3i55 h ASP 25 N -0.41 0.95 0.00 4.20 2.03 -2.04 -3.46 116.42 117.70 3i55 h ASP 25 Ca 0.10 -0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.19 3i55 h ASP 25 Cb 0.61 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 3i55 h ASP 25 CO -0.53 0.94 0.00 0.61 -1.03 0.00 0.00 179.24 179.23 3i55 n GLY 26 N -0.69 0.61 3.62 7.15 0.00 -0.66 -5.12 105.19 110.10 3i55 n GLY 26 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.60 3i55 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i55 n ALA 27 N 0.00 0.06 -3.04 4.61 0.00 -1.26 -4.46 120.51 116.41 3i55 n ALA 27 Ca 0.00 0.44 -0.37 0.00 0.00 0.00 0.00 53.44 53.50 3i55 n ALA 27 Cb 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 19.45 17.20 3i55 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i55 s THR 28 N -0.20 4.28 -0.18 0.00 2.01 -1.26 -0.37 115.64 119.92 3i55 s THR 28 Ca 0.70 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 62.31 3i55 s THR 28 Cb -0.75 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 68.67 3i55 s THR 28 CO 0.52 0.19 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.60 3i55 s THR 29 N 1.58 1.75 0.23 -0.82 2.01 -0.90 -4.99 115.64 114.50 3i55 s THR 29 Ca 0.05 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.08 3i55 s THR 29 Cb -0.16 -1.70 -0.06 0.00 0.01 0.00 0.00 72.50 70.59 3i55 s THR 29 CO 0.04 0.35 0.51 -1.00 -0.69 0.00 0.00 174.62 173.83 3i55 s HIS 30 N 1.39 3.45 -0.07 4.92 3.76 -1.26 -1.69 115.29 125.78 3i55 s HIS 30 Ca 0.02 0.73 0.03 0.00 -0.15 0.00 0.00 55.06 55.69 3i55 s HIS 30 Cb -0.14 -2.16 0.01 0.00 1.11 0.00 0.00 32.58 31.40 3i55 s HIS 30 CO -0.10 0.28 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.87 3i55 s PHE 31 N -1.86 1.64 -0.59 1.40 0.40 -0.69 -2.98 117.98 115.28 3i55 s PHE 31 Ca 0.45 -0.62 0.26 0.00 -0.60 0.00 0.00 56.93 56.41 3i55 s PHE 31 Cb -0.11 -1.17 0.84 0.00 0.51 0.00 0.00 43.02 43.08 3i55 s PHE 31 CO 0.24 -0.30 1.75 0.00 0.70 0.00 0.00 175.22 177.62 3i55 s SER 33 N -4.67 -0.23 0.09 0.00 1.04 -1.26 -4.66 113.70 104.00 3i55 s SER 33 Ca 0.08 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.88 3i55 s SER 33 Cb 0.11 0.74 -0.24 0.00 0.10 0.00 0.00 66.02 66.72 3i55 s SER 33 CO 0.55 -1.37 1.17 0.77 0.98 0.00 0.00 173.24 175.33 3i55 h SER 34 N 2.01 0.16 -0.54 7.02 4.64 -1.97 -2.35 113.55 122.52 3i55 h SER 34 Ca -0.20 -0.18 0.10 0.00 -0.47 0.00 0.00 61.79 61.04 3i55 h SER 34 Cb 1.25 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 3i55 h SER 34 CO 0.25 1.14 0.08 0.50 -0.87 0.00 0.00 176.83 177.93 3i55 h LYS 35 N 0.03 0.20 0.00 4.77 3.64 -1.98 0.37 116.57 123.59 3i55 h LYS 35 Ca -0.08 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3i55 h LYS 35 Cb 1.87 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 3i55 h LYS 35 CO 0.15 0.13 -0.33 0.00 -2.27 0.00 0.00 179.45 177.14 3i55 h GLU 37 N 0.00 0.87 -0.00 0.00 4.81 -0.29 -2.85 114.58 117.12 3i55 h GLU 37 Ca -0.01 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3i55 h GLU 37 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3i55 h GLU 37 CO 0.03 0.82 -0.21 0.09 -0.73 0.00 0.00 179.01 179.02 3i55 n ASN 38 N -4.41 0.29 0.12 1.04 3.02 0.11 -3.49 115.26 111.94 3i55 n ASN 38 Ca 0.02 -0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.33 3i55 n ASN 38 Cb 0.23 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.12 3i55 n ASN 38 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3i55 h ASN 39 N 0.12 0.75 0.44 6.41 4.21 -1.27 -3.30 115.58 122.95 3i55 h ASN 39 Ca 0.00 -0.89 -0.10 0.00 1.21 0.00 0.00 56.30 56.52 3i55 h ASN 39 Cb 0.47 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 3i55 h ASN 39 CO 0.00 1.71 -0.48 0.00 -1.29 0.00 0.00 177.43 177.38 3i55 h ALA 40 N 0.17 1.18 0.00 -0.83 0.00 -1.61 -2.23 119.26 115.94 3i55 h ALA 40 Ca -0.28 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3i55 h ALA 40 Cb 2.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3i55 h ALA 40 CO 0.24 0.60 0.00 -0.44 0.00 0.00 0.00 179.25 179.66 3i55 h ASP 41 N 0.04 0.00 -0.51 0.00 3.32 -1.63 -1.27 116.42 116.36 3i55 h ASP 41 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i55 h ASP 41 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3i55 h ASP 41 CO 0.06 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 3i55 n LEU 42 N -2.46 4.93 0.00 1.55 4.77 -0.84 -4.90 117.00 120.04 3i55 n LEU 42 Ca 0.00 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 3i55 n LEU 42 Cb 0.18 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3i55 n LEU 42 CO 0.18 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3i55 n GLY 43 N 0.65 0.43 3.78 -0.72 0.00 -0.48 -4.98 105.19 103.87 3i55 n GLY 43 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3i55 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i55 s ARG 44 N -0.64 4.31 -0.19 1.61 0.52 -1.18 -5.03 118.95 118.34 3i55 s ARG 44 Ca 0.00 1.54 -0.03 0.00 -0.52 0.00 0.00 55.73 56.72 3i55 s ARG 44 Cb 0.00 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 3i55 s ARG 44 CO 0.00 -0.02 -0.07 -1.21 0.02 0.00 0.00 175.30 174.02 3i55 s GLU 45 N -2.24 3.39 0.36 3.54 2.02 -1.26 -4.33 118.70 120.18 3i55 s GLU 45 Ca 0.54 -0.64 0.29 0.00 0.02 0.00 0.00 54.97 55.19 3i55 s GLU 45 Cb -0.23 -2.90 1.19 0.00 0.10 0.00 0.00 34.13 32.29 3i55 s GLU 45 CO 0.29 -0.06 1.18 0.00 0.02 0.00 0.00 175.26 176.69 3i55 n ALA 46 N 4.38 1.17 -0.10 5.21 0.00 -1.26 0.06 120.51 129.97 3i55 n ALA 46 Ca -0.18 0.60 -0.11 0.00 0.00 0.00 0.00 53.44 53.75 3i55 n ALA 46 Cb 0.51 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 3i55 n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i55 h ARG 47 N 0.00 0.56 0.00 0.00 3.08 -1.94 -3.15 114.38 112.93 3i55 h ARG 47 Ca 0.68 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.50 3i55 h ARG 47 Cb 2.39 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.40 3i55 h ARG 47 CO -0.23 0.73 -0.16 -0.91 -1.07 0.00 0.00 179.97 178.33 3i55 h ASN 48 N 0.33 0.00 -3.61 7.04 2.35 -0.79 -3.41 115.58 117.49 3i55 h ASN 48 Ca 0.08 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.21 3i55 h ASN 48 Cb 0.52 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.75 3i55 h ASN 48 CO 0.02 0.16 -0.07 -0.76 -1.65 0.00 0.00 177.43 175.13 3i55 s LEU 49 N -8.17 4.06 0.06 1.61 1.43 -1.19 -5.01 118.68 111.46 3i55 s LEU 49 Ca -0.04 0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 53.29 3i55 s LEU 49 Cb 0.15 -2.61 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 3i55 s LEU 49 CO 0.66 -0.25 1.40 -0.33 0.23 0.00 0.00 176.35 178.05 3i55 h GLU 50 N 8.00 -0.71 -1.54 1.70 5.08 -1.83 -2.96 114.58 122.33 3i55 h GLU 50 Ca -0.30 0.05 0.45 0.00 -1.00 0.00 0.00 59.36 58.55 3i55 h GLU 50 Cb 1.15 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 3i55 h GLU 50 CO 0.70 -0.47 1.27 0.11 -1.00 0.00 0.00 179.01 179.62 3i55 h TRP 51 N -0.73 0.00 -2.42 4.33 5.08 -1.95 -3.34 115.95 116.92 3i55 h TRP 51 Ca -0.05 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.37 3i55 h TRP 51 Cb 0.63 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 3i55 h TRP 51 CO -0.20 0.00 1.23 0.99 -1.28 0.00 0.00 178.44 179.18 3i55 s THR 52 N -4.72 3.25 0.23 0.12 2.01 -1.12 -4.82 115.64 110.60 3i55 s THR 52 Ca -0.04 0.30 0.10 0.00 0.31 0.00 0.00 61.69 62.35 3i55 s THR 52 Cb 0.22 -3.23 0.10 0.00 0.01 0.00 0.00 72.50 69.60 3i55 s THR 52 CO 0.74 -0.06 1.17 -0.78 -0.69 0.00 0.00 174.62 174.99 3i55 h ASP 53 N 11.15 0.00 0.09 3.53 3.58 -1.73 0.57 116.42 133.60 3i55 h ASP 53 Ca -0.43 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 3i55 h ASP 53 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 3i55 h ASP 53 CO 0.96 0.00 -0.04 0.74 -2.88 0.00 0.00 179.24 178.02 3i55 h THR 54 N 0.00 0.42 -0.33 2.25 2.02 -1.65 -3.35 112.91 112.27 3i55 h THR 54 Ca 0.00 -1.18 0.07 0.00 0.77 0.00 0.00 66.41 66.07 3i55 h THR 54 Cb 0.99 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 3i55 h THR 54 CO 0.00 0.13 -0.36 0.00 0.37 0.00 0.00 175.52 175.67 3i55 h ALA 55 N -0.76 -0.31 -0.02 6.16 0.00 -1.00 -3.49 119.26 119.84 3i55 h ALA 55 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i55 h ALA 55 Cb 0.31 0.74 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i55 h ALA 55 CO 0.02 -0.79 0.00 2.89 0.00 0.00 0.00 179.25 181.37