#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s GLU 5 N 0.00 2.53 -0.04 5.56 2.12 -1.26 -1.19 118.70 126.42 1s72 s GLU 5 Ca 0.00 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 1s72 s GLU 5 Cb 0.00 -2.18 -0.07 0.00 0.26 0.00 0.00 34.13 32.14 1s72 s GLU 5 CO 0.00 0.41 1.88 0.00 -0.54 0.00 0.00 175.26 177.01 1s72 n ASP 7 N 7.98 0.00 0.00 0.00 8.00 -0.44 -2.06 116.55 130.03 1s72 n ASP 7 Ca 0.20 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1s72 n ASP 7 Cb 0.42 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1s72 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s72 n TYR 8 N -1.14 0.00 0.10 1.24 9.36 -1.26 -4.84 117.16 120.62 1s72 n TYR 8 Ca 0.01 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 1s72 n TYR 8 Cb 0.01 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.69 1s72 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1s72 n GLY 10 N 1.28 3.16 3.63 0.00 0.00 -0.87 0.12 105.19 112.51 1s72 n GLY 10 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1s72 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s72 s THR 11 N -2.82 2.29 0.18 2.61 -4.23 -1.26 -4.41 115.64 108.00 1s72 s THR 11 Ca 0.00 0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.30 1s72 s THR 11 Cb 0.00 -2.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 1s72 s THR 11 CO 0.00 -0.12 1.08 -1.81 -0.54 0.00 0.00 174.62 173.23 1s72 s ASP 12 N -2.98 7.30 -0.33 3.99 1.01 -1.26 -1.67 116.67 122.73 1s72 s ASP 12 Ca 0.66 2.07 -0.24 0.00 0.71 0.00 0.00 52.55 55.75 1s72 s ASP 12 Cb -0.21 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.12 1s72 s ASP 12 CO 0.60 -0.19 0.83 -0.63 0.21 0.00 0.00 175.17 175.99 1s72 s ILE 13 N -0.31 4.73 -0.06 0.77 1.01 -0.34 -4.87 121.20 122.13 1s72 s ILE 13 Ca 0.49 1.17 -0.35 0.00 0.00 0.00 0.00 60.65 61.96 1s72 s ILE 13 Cb -0.29 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 37.85 1s72 s ILE 13 CO 0.35 -0.34 1.81 1.21 0.00 0.00 0.00 174.94 177.97 1s72 n GLU 14 N 6.37 2.06 -1.60 2.79 4.07 -1.26 -4.55 120.64 128.51 1s72 n GLU 14 Ca 0.05 0.75 -0.38 0.00 -0.06 0.00 0.00 57.16 57.52 1s72 n GLU 14 Cb 0.48 -2.57 0.05 0.00 -0.06 0.00 0.00 31.44 29.34 1s72 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1s72 n PRO 15 N 5.94 0.86 -2.95 5.31 -0.04 -1.26 -2.55 135.00 140.31 1s72 n PRO 15 Ca 0.22 0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.88 1s72 n PRO 15 Cb 0.28 -2.13 0.04 0.00 -0.04 0.00 0.00 33.50 31.64 1s72 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s72 n GLY 16 N 1.33 0.05 3.37 0.55 0.00 -1.26 -5.01 105.19 104.22 1s72 n GLY 16 Ca 0.14 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1s72 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s THR 17 N -3.06 0.04 0.00 2.61 2.01 -1.06 -5.17 115.64 111.01 1s72 s THR 17 Ca 0.27 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1s72 s THR 17 Cb -0.12 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.33 1s72 s THR 17 CO 0.33 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1s72 n GLY 18 N -0.11 -0.34 3.17 4.40 0.00 -1.26 -4.86 105.19 106.19 1s72 n GLY 18 Ca -0.17 -1.76 -0.20 0.00 0.00 0.00 0.00 46.02 43.89 1s72 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s72 s THR 19 N -1.88 1.22 -0.21 2.61 2.01 -0.81 -4.99 115.64 113.59 1s72 s THR 19 Ca 0.00 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.83 1s72 s THR 19 Cb 0.00 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1s72 s THR 19 CO 0.00 -0.05 -0.09 -0.32 -0.69 0.00 0.00 174.62 173.47 1s72 s MET 20 N -1.37 3.21 -0.21 4.92 1.75 -1.26 0.04 119.30 126.37 1s72 s MET 20 Ca 0.02 -0.72 -0.13 0.00 -1.25 0.00 0.00 55.69 53.61 1s72 s MET 20 Cb -0.09 -2.87 -0.05 0.00 2.84 0.00 0.00 34.83 34.67 1s72 s MET 20 CO 0.02 -0.22 0.25 0.12 -0.65 0.00 0.00 175.02 174.55 1s72 s PHE 21 N 1.41 3.37 -0.32 4.11 5.36 0.23 -4.92 117.98 127.21 1s72 s PHE 21 Ca 0.05 0.42 -0.15 0.00 -0.96 0.00 0.00 56.93 56.29 1s72 s PHE 21 Cb -0.14 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 1s72 s PHE 21 CO -0.06 0.09 0.35 0.08 -1.46 0.00 0.00 175.22 174.22 1s72 s VAL 22 N 0.98 5.18 0.83 3.12 1.01 -1.26 -1.49 120.40 128.77 1s72 s VAL 22 Ca 0.13 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 1s72 s VAL 22 Cb -0.14 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1s72 s VAL 22 CO 0.05 0.01 1.09 -1.00 0.00 0.00 0.00 175.10 175.25 1s72 s HIS 23 N 2.01 2.61 0.20 5.22 0.09 -0.12 -4.92 115.29 120.38 1s72 s HIS 23 Ca 0.12 1.25 -0.11 0.00 -0.00 0.00 0.00 55.06 56.32 1s72 s HIS 23 Cb -0.16 -3.12 0.21 0.00 -0.00 0.00 0.00 32.58 29.51 1s72 s HIS 23 CO 0.11 -2.00 1.77 -0.22 -0.00 0.00 0.00 174.74 174.40 1s72 h LYS 24 N -1.26 0.48 0.00 1.40 3.64 -1.97 -1.50 116.57 117.35 1s72 h LYS 24 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1s72 h LYS 24 Cb 1.27 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1s72 h LYS 24 CO 0.56 0.32 0.00 -0.40 -2.27 0.00 0.00 179.45 177.66 1s72 n ASP 25 N -4.91 0.09 0.00 4.20 3.85 -1.26 -4.87 116.55 113.64 1s72 n ASP 25 Ca 0.07 0.52 0.00 0.00 -0.71 0.00 0.00 54.79 54.66 1s72 n ASP 25 Cb 0.20 -0.54 0.00 0.00 -1.35 0.00 0.00 41.12 39.43 1s72 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s72 n GLY 26 N 0.35 1.74 3.66 6.12 0.00 -0.56 -5.09 105.19 111.41 1s72 n GLY 26 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1s72 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 n ALA 27 N -1.04 -0.66 -2.51 4.61 0.00 -1.26 -4.67 120.51 114.99 1s72 n ALA 27 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 53.44 52.72 1s72 n ALA 27 Cb 0.00 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.11 1s72 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s72 s THR 28 N -2.44 1.34 -0.16 0.00 2.01 -1.26 -0.95 115.64 114.18 1s72 s THR 28 Ca 0.69 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1s72 s THR 28 Cb -0.25 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.19 1s72 s THR 28 CO 0.56 0.37 0.01 -0.89 -0.69 0.00 0.00 174.62 173.98 1s72 s THR 29 N -0.41 0.66 -0.19 -0.82 2.01 -0.55 -4.99 115.64 111.35 1s72 s THR 29 Ca 0.06 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1s72 s THR 29 Cb -0.07 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 1s72 s THR 29 CO -0.01 -0.03 0.65 -1.00 -0.69 0.00 0.00 174.62 173.54 1s72 s HIS 30 N 1.82 3.39 -0.05 4.92 3.76 -1.26 -0.60 115.29 127.26 1s72 s HIS 30 Ca 0.00 0.97 0.01 0.00 -0.15 0.00 0.00 55.06 55.89 1s72 s HIS 30 Cb -0.16 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.69 1s72 s HIS 30 CO -0.07 -0.16 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.54 1s72 s PHE 31 N 1.85 2.95 -0.55 1.40 0.40 0.11 -1.33 117.98 122.81 1s72 s PHE 31 Ca 0.30 0.02 0.24 0.00 -0.60 0.00 0.00 56.93 56.89 1s72 s PHE 31 Cb -0.16 -1.70 0.33 0.00 0.51 0.00 0.00 43.02 42.01 1s72 s PHE 31 CO 0.11 0.35 1.35 0.00 0.70 0.00 0.00 175.22 177.73 1s72 s SER 33 N -4.68 -0.13 0.16 0.00 1.04 -1.26 -4.42 113.70 104.41 1s72 s SER 33 Ca 0.05 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 55.79 1s72 s SER 33 Cb 0.12 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.87 1s72 s SER 33 CO 0.71 -1.16 1.46 0.77 0.98 0.00 0.00 173.24 176.01 1s72 h SER 34 N 2.00 0.77 -0.65 7.02 4.64 -1.99 -2.75 113.55 122.59 1s72 h SER 34 Ca -0.25 -0.41 0.13 0.00 -0.47 0.00 0.00 61.79 60.78 1s72 h SER 34 Cb 1.24 -0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 63.01 1s72 h SER 34 CO 0.29 1.17 0.17 0.50 -0.87 0.00 0.00 176.83 178.09 1s72 h LYS 35 N 0.53 0.29 -0.10 4.77 3.64 -1.99 0.22 116.57 123.94 1s72 h LYS 35 Ca 0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1s72 h LYS 35 Cb 1.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1s72 h LYS 35 CO 0.11 0.19 -0.19 0.00 -2.27 0.00 0.00 179.45 177.30 1s72 h GLU 37 N -0.13 -0.14 -0.94 0.00 5.08 -1.13 -0.39 114.58 116.93 1s72 h GLU 37 Ca 0.01 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1s72 h GLU 37 Cb 0.77 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 1s72 h GLU 37 CO 0.04 -0.09 0.57 -0.91 -1.00 0.00 0.00 179.01 177.63 1s72 h ASN 38 N -0.14 1.12 0.08 1.42 2.35 -0.60 0.75 115.58 120.57 1s72 h ASN 38 Ca 0.12 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1s72 h ASN 38 Cb 0.32 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1s72 h ASN 38 CO -0.29 0.86 -0.19 0.78 -1.65 0.00 0.00 177.43 176.94 1s72 h ASN 39 N 1.29 0.20 -0.09 5.81 4.21 -0.67 -2.58 115.58 123.76 1s72 h ASN 39 Ca 0.34 -0.05 -0.06 0.00 1.21 0.00 0.00 56.30 57.74 1s72 h ASN 39 Cb -0.07 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.08 1s72 h ASN 39 CO -0.06 0.41 -0.16 0.00 -1.29 0.00 0.00 177.43 176.32 1s72 h ALA 40 N 1.62 0.14 -0.01 -0.83 0.00 0.15 -2.95 119.26 117.38 1s72 h ALA 40 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s72 h ALA 40 Cb 0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1s72 h ALA 40 CO 0.03 0.05 0.11 -0.44 0.00 0.00 0.00 179.25 179.00 1s72 h ASP 41 N -0.18 0.00 0.51 0.00 3.32 -0.62 0.85 116.42 120.30 1s72 h ASP 41 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1s72 h ASP 41 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1s72 h ASP 41 CO 0.04 0.00 -0.02 0.18 -1.72 0.00 0.00 179.24 177.72 1s72 n LEU 42 N -3.11 0.06 0.00 1.55 4.77 -1.00 -4.89 117.00 114.38 1s72 n LEU 42 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1s72 n LEU 42 Cb 0.18 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1s72 n LEU 42 CO 0.19 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1s72 n GLY 43 N 1.27 0.56 3.83 -0.72 0.00 0.29 -5.04 105.19 105.38 1s72 n GLY 43 Ca 0.15 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1s72 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s72 s ARG 44 N -0.50 4.17 -0.18 1.61 0.52 -1.13 -5.05 118.95 118.39 1s72 s ARG 44 Ca 0.00 0.92 -0.07 0.00 -0.52 0.00 0.00 55.73 56.06 1s72 s ARG 44 Cb 0.00 -2.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 1s72 s ARG 44 CO 0.00 0.13 0.05 -1.21 0.02 0.00 0.00 175.30 174.29 1s72 s GLU 45 N -2.85 3.93 0.49 3.54 2.02 -1.26 -4.51 118.70 120.07 1s72 s GLU 45 Ca 0.55 -0.37 0.33 0.00 0.02 0.00 0.00 54.97 55.50 1s72 s GLU 45 Cb -0.11 -3.19 1.44 0.00 0.10 0.00 0.00 34.13 32.37 1s72 s GLU 45 CO 0.17 0.25 1.74 0.00 0.02 0.00 0.00 175.26 177.44 1s72 h ALA 46 N 6.75 2.92 0.00 5.21 0.00 -1.95 0.54 119.26 132.73 1s72 h ALA 46 Ca -0.36 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1s72 h ALA 46 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s72 h ALA 46 CO 0.69 -1.35 -0.08 0.00 0.00 0.00 0.00 179.25 178.51 1s72 h ARG 47 N 0.11 0.00 -0.15 0.00 3.08 -1.94 -2.31 114.38 113.18 1s72 h ARG 47 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1s72 h ARG 47 Cb 2.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.35 1s72 h ARG 47 CO -0.15 0.08 0.00 0.09 -1.07 0.00 0.00 179.97 178.92 1s72 n ASN 48 N -3.95 2.20 -4.28 7.04 3.02 0.18 -4.52 115.26 114.96 1s72 n ASN 48 Ca -0.02 -1.76 -0.40 0.00 -0.03 0.00 0.00 54.58 52.36 1s72 n ASN 48 Cb 0.17 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 1s72 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s72 s LEU 49 N -1.74 5.06 0.60 3.41 1.43 -0.87 -4.99 118.68 121.60 1s72 s LEU 49 Ca 0.34 -1.44 0.28 0.00 -1.03 0.00 0.00 54.13 52.28 1s72 s LEU 49 Cb 0.20 -1.98 1.27 0.00 0.03 0.00 0.00 46.19 45.70 1s72 s LEU 49 CO 0.30 -0.51 1.67 -0.33 0.23 0.00 0.00 176.35 177.70 1s72 h GLU 50 N 8.39 0.00 0.00 1.70 5.08 -1.86 -0.06 114.58 127.83 1s72 h GLU 50 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1s72 h GLU 50 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1s72 h GLU 50 CO 0.74 0.00 -0.28 0.11 -1.00 0.00 0.00 179.01 178.58 1s72 h TRP 51 N 0.00 0.00 -3.44 4.33 5.08 -1.94 -3.43 115.95 116.55 1s72 h TRP 51 Ca 0.31 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.75 1s72 h TRP 51 Cb 1.82 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 28.00 1s72 h TRP 51 CO 0.00 0.00 0.58 0.99 -1.28 0.00 0.00 178.44 178.73 1s72 s THR 52 N -3.14 3.51 0.32 0.12 2.01 -0.04 -4.92 115.64 113.51 1s72 s THR 52 Ca 0.09 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.35 1s72 s THR 52 Cb 0.13 -3.80 0.28 0.00 0.01 0.00 0.00 72.50 69.11 1s72 s THR 52 CO 0.65 0.19 1.94 0.44 -0.69 0.00 0.00 174.62 177.16 1s72 h ASP 53 N 5.37 0.85 0.00 3.53 5.19 -1.62 0.10 116.42 129.84 1s72 h ASP 53 Ca -0.44 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 1s72 h ASP 53 Cb 1.21 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1s72 h ASP 53 CO 0.76 0.57 0.00 0.41 -3.12 0.00 0.00 179.24 177.85 1s72 n THR 54 N -4.47 0.00 -0.34 0.35 -1.04 0.12 -1.66 114.28 107.23 1s72 n THR 54 Ca 0.12 1.50 0.24 0.00 -2.04 0.00 0.00 64.05 63.86 1s72 n THR 54 Cb 0.16 -2.26 0.48 0.00 -1.82 0.00 0.00 70.33 66.88 1s72 n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s72 h ALA 55 N -1.53 2.01 0.00 2.41 0.00 -1.58 -3.49 119.26 117.08 1s72 h ALA 55 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1s72 h ALA 55 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1s72 h ALA 55 CO 0.00 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.21