#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s GLU 5 N 0.00 1.21 -0.03 5.56 2.12 -1.26 -1.51 118.70 124.79 1q86 s GLU 5 Ca 0.00 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1q86 s GLU 5 Cb 0.00 -1.12 -0.07 0.00 0.26 0.00 0.00 34.13 33.19 1q86 s GLU 5 CO 0.00 0.23 1.91 0.00 -0.54 0.00 0.00 175.26 176.86 1q86 n ASP 7 N 7.99 0.09 0.00 0.00 8.00 -0.57 -1.91 116.55 130.16 1q86 n ASP 7 Ca 0.20 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1q86 n ASP 7 Cb 0.42 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1q86 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 n TYR 8 N -0.14 -0.02 0.02 1.24 9.36 -1.26 -4.91 117.16 121.45 1q86 n TYR 8 Ca 0.00 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.13 1q86 n TYR 8 Cb 0.02 0.06 -0.13 0.00 -0.63 0.00 0.00 39.34 38.66 1q86 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q86 n GLY 10 N 1.48 0.45 3.76 0.00 0.00 -0.81 0.78 105.19 110.86 1q86 n GLY 10 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1q86 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q86 s THR 11 N -2.06 2.94 0.37 2.61 -4.23 -1.26 -4.49 115.64 109.52 1q86 s THR 11 Ca 0.00 0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 60.55 1q86 s THR 11 Cb 0.00 -2.90 -0.09 0.00 1.34 0.00 0.00 72.50 70.85 1q86 s THR 11 CO 0.00 -0.40 1.14 -1.81 -0.54 0.00 0.00 174.62 173.01 1q86 s ASP 12 N -3.63 6.76 -0.55 3.99 1.01 -1.26 -1.02 116.67 121.98 1q86 s ASP 12 Ca 0.62 2.29 -0.19 0.00 0.71 0.00 0.00 52.55 55.97 1q86 s ASP 12 Cb -0.16 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.23 1q86 s ASP 12 CO 0.56 -0.50 0.68 -0.63 0.21 0.00 0.00 175.17 175.49 1q86 s ILE 13 N -1.38 4.81 -0.34 0.77 1.01 -0.57 -4.79 121.20 120.71 1q86 s ILE 13 Ca 0.54 -0.66 -0.41 0.00 0.00 0.00 0.00 60.65 60.12 1q86 s ILE 13 Cb -0.30 -4.40 -0.16 0.00 0.01 0.00 0.00 42.46 37.62 1q86 s ILE 13 CO 0.38 -0.97 1.84 1.21 0.00 0.00 0.00 174.94 177.39 1q86 n GLU 14 N 6.35 0.91 -1.45 2.79 4.07 -1.26 -4.54 120.64 127.50 1q86 n GLU 14 Ca -0.07 0.32 -0.42 0.00 -0.06 0.00 0.00 57.16 56.93 1q86 n GLU 14 Cb 0.44 -2.04 0.01 0.00 -0.06 0.00 0.00 31.44 29.79 1q86 n GLU 14 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1q86 n PRO 15 N 5.88 0.56 -2.75 5.31 -0.04 -1.26 -2.78 135.00 139.92 1q86 n PRO 15 Ca 0.32 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1q86 n PRO 15 Cb 0.11 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.11 1q86 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q86 n GLY 16 N 1.79 0.13 3.51 0.55 0.00 -1.26 -5.01 105.19 104.90 1q86 n GLY 16 Ca 0.12 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1q86 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s THR 17 N -2.94 0.03 0.00 2.61 2.01 -1.12 -5.17 115.64 111.06 1q86 s THR 17 Ca 0.19 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1q86 s THR 17 Cb -0.08 -1.81 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1q86 s THR 17 CO 0.24 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1q86 n GLY 18 N -0.33 -0.93 3.12 4.40 0.00 -1.26 -4.92 105.19 105.26 1q86 n GLY 18 Ca -0.07 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.13 1q86 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s THR 19 N -1.66 0.83 -0.25 2.61 2.01 -1.00 -5.00 115.64 113.19 1q86 s THR 19 Ca 0.00 -1.19 0.02 0.00 0.31 0.00 0.00 61.69 60.83 1q86 s THR 19 Cb 0.00 -0.84 0.05 0.00 0.01 0.00 0.00 72.50 71.72 1q86 s THR 19 CO 0.00 -0.30 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.21 1q86 s MET 20 N -1.65 2.42 -0.14 4.92 1.75 -1.26 -0.38 119.30 124.96 1q86 s MET 20 Ca -0.06 -1.24 -0.23 0.00 -1.25 0.00 0.00 55.69 52.91 1q86 s MET 20 Cb -0.10 -2.89 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 1q86 s MET 20 CO 0.01 -0.51 0.72 0.12 -0.65 0.00 0.00 175.02 174.71 1q86 s PHE 21 N 1.16 3.47 -0.41 4.11 5.36 -0.63 -4.87 117.98 126.16 1q86 s PHE 21 Ca -0.06 1.15 -0.17 0.00 -0.96 0.00 0.00 56.93 56.89 1q86 s PHE 21 Cb -0.19 -2.87 0.02 0.00 -0.34 0.00 0.00 43.02 39.64 1q86 s PHE 21 CO -0.06 -0.09 0.44 0.08 -1.46 0.00 0.00 175.22 174.13 1q86 s VAL 22 N 1.54 5.08 0.97 3.12 1.01 -1.26 -1.36 120.40 129.51 1q86 s VAL 22 Ca 0.35 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1q86 s VAL 22 Cb -0.17 -4.03 0.17 0.00 0.00 0.00 0.00 36.38 32.36 1q86 s VAL 22 CO 0.14 -0.40 1.08 -1.00 0.00 0.00 0.00 175.10 174.92 1q86 s HIS 23 N 2.15 2.00 0.10 5.22 0.09 0.67 -4.91 115.29 120.61 1q86 s HIS 23 Ca 0.12 1.27 -0.30 0.00 -0.00 0.00 0.00 55.06 56.16 1q86 s HIS 23 Cb -0.17 -3.18 -0.12 0.00 -0.00 0.00 0.00 32.58 29.11 1q86 s HIS 23 CO 0.14 -2.83 1.63 -0.22 -0.00 0.00 0.00 174.74 173.45 1q86 h LYS 24 N -1.87 -0.62 0.00 1.40 3.64 -1.97 -1.93 116.57 115.22 1q86 h LYS 24 Ca -0.52 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1q86 h LYS 24 Cb 1.30 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1q86 h LYS 24 CO 0.52 -0.41 0.00 0.38 -2.27 0.00 0.00 179.45 177.67 1q86 h ASP 25 N -0.64 0.00 0.00 4.20 -0.00 -2.04 -3.44 116.42 114.49 1q86 h ASP 25 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1q86 h ASP 25 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.92 1q86 h ASP 25 CO -0.07 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.78 1q86 n GLY 26 N -1.13 1.81 3.48 7.15 0.00 -0.72 -5.10 105.19 110.67 1q86 n GLY 26 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1q86 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n ALA 27 N -0.24 -1.91 -2.85 4.61 0.00 -1.26 -4.59 120.51 114.27 1q86 n ALA 27 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 1q86 n ALA 27 Cb 0.00 -1.89 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 1q86 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q86 s THR 28 N -2.27 0.97 -0.26 0.00 2.01 -1.26 -0.23 115.64 114.59 1q86 s THR 28 Ca 0.62 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1q86 s THR 28 Cb -0.25 -0.84 0.08 0.00 0.01 0.00 0.00 72.50 71.50 1q86 s THR 28 CO 0.63 0.29 0.07 -0.89 -0.69 0.00 0.00 174.62 174.03 1q86 s THR 29 N -0.01 0.67 0.18 -0.82 2.01 -0.46 -4.98 115.64 112.22 1q86 s THR 29 Ca -0.00 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 1q86 s THR 29 Cb -0.08 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 1q86 s THR 29 CO 0.00 -0.49 0.99 -1.00 -0.69 0.00 0.00 174.62 173.44 1q86 s HIS 30 N 1.75 3.81 0.06 4.92 3.76 -1.26 -1.61 115.29 126.72 1q86 s HIS 30 Ca 0.05 1.79 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 1q86 s HIS 30 Cb -0.17 -3.09 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 1q86 s HIS 30 CO -0.20 0.06 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.46 1q86 s PHE 31 N -0.53 2.05 -0.13 1.40 0.40 0.49 -1.51 117.98 120.15 1q86 s PHE 31 Ca 0.45 -0.39 0.16 0.00 -0.60 0.00 0.00 56.93 56.55 1q86 s PHE 31 Cb -0.26 -1.20 -0.09 0.00 0.51 0.00 0.00 43.02 41.98 1q86 s PHE 31 CO 0.32 0.15 0.97 0.00 0.70 0.00 0.00 175.22 177.36 1q86 s SER 33 N -5.92 -0.14 0.13 0.00 1.04 -1.26 -4.33 113.70 103.22 1q86 s SER 33 Ca -0.01 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.49 1q86 s SER 33 Cb 0.08 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1q86 s SER 33 CO 0.80 -1.13 1.59 0.77 0.98 0.00 0.00 173.24 176.25 1q86 h SER 34 N 2.23 0.68 -0.82 7.02 4.64 -1.99 -2.81 113.55 122.50 1q86 h SER 34 Ca -0.26 -0.29 0.15 0.00 -0.47 0.00 0.00 61.79 60.93 1q86 h SER 34 Cb 1.25 -0.18 -0.15 0.00 -0.31 0.00 0.00 62.40 63.01 1q86 h SER 34 CO 0.35 0.80 -0.27 0.50 -0.87 0.00 0.00 176.83 177.34 1q86 h LYS 35 N 0.54 -0.03 0.40 4.77 3.64 -1.98 0.37 116.57 124.28 1q86 h LYS 35 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1q86 h LYS 35 Cb 0.43 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1q86 h LYS 35 CO 0.01 -0.02 -0.19 0.00 -2.27 0.00 0.00 179.45 176.98 1q86 n GLU 37 N -3.49 -0.12 -0.19 0.00 1.02 -0.54 0.83 120.64 118.16 1q86 n GLU 37 Ca -0.07 1.09 -0.08 0.00 -0.02 0.00 0.00 57.16 58.08 1q86 n GLU 37 Cb 0.21 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1q86 n GLU 37 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1q86 h ASN 38 N 0.00 0.75 -0.39 1.62 2.35 -0.17 0.49 115.58 120.23 1q86 h ASN 38 Ca 0.29 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1q86 h ASN 38 Cb 0.46 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1q86 h ASN 38 CO -0.71 0.73 0.08 0.78 -1.65 0.00 0.00 177.43 176.67 1q86 h ASN 39 N 0.73 0.66 0.27 5.81 4.21 0.21 -2.37 115.58 125.10 1q86 h ASN 39 Ca 0.18 -0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 1q86 h ASN 39 Cb 0.23 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1q86 h ASN 39 CO -0.01 0.67 -0.13 0.00 -1.29 0.00 0.00 177.43 176.67 1q86 h ALA 40 N 1.41 -0.36 -0.68 -0.83 0.00 -0.33 -2.84 119.26 115.63 1q86 h ALA 40 Ca 0.15 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.11 1q86 h ALA 40 Cb 0.30 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1q86 h ALA 40 CO 0.00 -0.60 0.53 -0.44 0.00 0.00 0.00 179.25 178.74 1q86 h ASP 41 N -0.57 0.00 0.75 0.00 3.32 -0.63 0.50 116.42 119.78 1q86 h ASP 41 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1q86 h ASP 41 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1q86 h ASP 41 CO 0.06 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1q86 n LEU 42 N -4.18 0.13 0.00 1.55 4.77 -0.92 -4.88 117.00 113.48 1q86 n LEU 42 Ca 0.14 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1q86 n LEU 42 Cb 0.79 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1q86 n LEU 42 CO 0.36 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1q86 n GLY 43 N 0.55 0.08 3.77 -0.72 0.00 0.17 -5.07 105.19 103.98 1q86 n GLY 43 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1q86 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q86 s ARG 44 N -0.99 3.62 -0.18 1.61 0.52 -1.14 -5.02 118.95 117.37 1q86 s ARG 44 Ca 0.00 1.70 -0.05 0.00 -0.52 0.00 0.00 55.73 56.87 1q86 s ARG 44 Cb 0.00 -2.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 1q86 s ARG 44 CO 0.00 -0.65 -0.01 -1.21 0.02 0.00 0.00 175.30 173.45 1q86 s GLU 45 N -2.92 3.66 0.48 3.54 2.02 -1.26 -4.42 118.70 119.80 1q86 s GLU 45 Ca 0.67 -0.51 0.38 0.00 0.02 0.00 0.00 54.97 55.53 1q86 s GLU 45 Cb -0.26 -3.01 1.57 0.00 0.10 0.00 0.00 34.13 32.52 1q86 s GLU 45 CO 0.31 0.13 1.58 0.00 0.02 0.00 0.00 175.26 177.31 1q86 h ALA 46 N 7.08 3.14 -0.21 5.21 0.00 -1.94 0.61 119.26 133.15 1q86 h ALA 46 Ca -0.34 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1q86 h ALA 46 Cb 1.18 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1q86 h ALA 46 CO 0.62 -1.79 0.15 0.00 0.00 0.00 0.00 179.25 178.23 1q86 h ARG 47 N 0.01 0.10 -0.00 0.00 3.08 -1.93 -2.03 114.38 113.61 1q86 h ARG 47 Ca 0.89 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.94 1q86 h ARG 47 Cb 3.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 33.12 1q86 h ARG 47 CO -0.32 0.07 -0.33 0.09 -1.07 0.00 0.00 179.97 178.41 1q86 n ASN 48 N -4.49 0.72 -4.46 7.04 3.02 0.21 -4.51 115.26 112.80 1q86 n ASN 48 Ca 0.01 -0.55 -0.43 0.00 -0.03 0.00 0.00 54.58 53.58 1q86 n ASN 48 Cb 0.22 0.14 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 1q86 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q86 s LEU 49 N -2.72 5.14 0.67 3.41 1.43 -0.76 -4.96 118.68 120.89 1q86 s LEU 49 Ca 0.19 -0.92 0.35 0.00 -1.03 0.00 0.00 54.13 52.72 1q86 s LEU 49 Cb 0.19 -2.17 1.91 0.00 0.03 0.00 0.00 46.19 46.14 1q86 s LEU 49 CO 0.59 -0.47 2.08 -0.33 0.23 0.00 0.00 176.35 178.44 1q86 h GLU 50 N 8.65 0.00 0.00 1.70 5.08 -1.85 -0.93 114.58 127.22 1q86 h GLU 50 Ca -0.27 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1q86 h GLU 50 Cb 1.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1q86 h GLU 50 CO 0.75 0.00 -0.43 0.11 -1.00 0.00 0.00 179.01 178.44 1q86 h TRP 51 N 0.00 0.00 -2.91 4.33 5.08 -1.93 -3.42 115.95 117.11 1q86 h TRP 51 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.45 1q86 h TRP 51 Cb 0.44 0.00 0.04 0.00 -3.00 0.00 0.00 29.16 26.64 1q86 h TRP 51 CO 0.00 0.13 0.84 0.99 -1.28 0.00 0.00 178.44 179.12 1q86 s THR 52 N -3.18 2.77 0.29 0.12 2.01 -0.36 -4.90 115.64 112.40 1q86 s THR 52 Ca 0.04 0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.63 1q86 s THR 52 Cb 0.07 -3.36 0.29 0.00 0.01 0.00 0.00 72.50 69.51 1q86 s THR 52 CO 0.72 0.05 1.81 0.44 -0.69 0.00 0.00 174.62 176.95 1q86 h ASP 53 N 6.65 0.87 0.04 3.53 5.19 -1.76 0.16 116.42 131.10 1q86 h ASP 53 Ca -0.43 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1q86 h ASP 53 Cb 1.21 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1q86 h ASP 53 CO 0.89 0.41 -0.32 0.74 -3.12 0.00 0.00 179.24 177.84 1q86 h THR 54 N 0.91 0.00 -0.95 0.35 2.02 0.06 -1.22 112.91 114.08 1q86 h THR 54 Ca 0.53 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.85 1q86 h THR 54 Cb 0.65 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 1q86 h THR 54 CO -0.31 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.18 1q86 h ALA 55 N -0.90 1.72 0.00 6.16 0.00 -1.43 -3.48 119.26 121.33 1q86 h ALA 55 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1q86 h ALA 55 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1q86 h ALA 55 CO -0.19 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.61