#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s GLU 5 N 0.00 1.94 0.03 5.56 2.12 -1.26 -1.46 118.70 125.62 1q82 s GLU 5 Ca 0.00 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 1q82 s GLU 5 Cb 0.00 -1.81 -0.07 0.00 0.26 0.00 0.00 34.13 32.51 1q82 s GLU 5 CO 0.00 0.45 1.54 0.00 -0.54 0.00 0.00 175.26 176.71 1q82 n ASP 7 N 5.63 0.00 0.00 0.00 8.00 -0.51 -1.72 116.55 127.95 1q82 n ASP 7 Ca 0.15 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1q82 n ASP 7 Cb 0.42 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1q82 n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q82 n TYR 8 N -1.19 0.00 0.06 1.24 9.36 -1.26 -4.83 117.16 120.53 1q82 n TYR 8 Ca 0.02 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.15 1q82 n TYR 8 Cb 0.03 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.61 1q82 n TYR 8 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q82 n GLY 10 N 1.44 0.46 3.81 0.00 0.00 -0.70 0.14 105.19 110.34 1q82 n GLY 10 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1q82 n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q82 s THR 11 N -2.14 3.40 0.12 2.61 -4.23 -1.26 -4.50 115.64 109.64 1q82 s THR 11 Ca 0.00 0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.66 1q82 s THR 11 Cb 0.00 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 1q82 s THR 11 CO 0.00 -0.60 1.22 -1.81 -0.54 0.00 0.00 174.62 172.89 1q82 s ASP 12 N -3.86 7.05 -0.23 3.99 1.01 -1.26 -1.13 116.67 122.24 1q82 s ASP 12 Ca 0.60 2.14 -0.26 0.00 0.71 0.00 0.00 52.55 55.74 1q82 s ASP 12 Cb -0.14 -2.59 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 1q82 s ASP 12 CO 0.54 -0.45 0.88 -0.63 0.21 0.00 0.00 175.17 175.73 1q82 s ILE 13 N 0.63 4.80 -0.06 0.77 1.01 -0.54 -4.86 121.20 122.95 1q82 s ILE 13 Ca 0.57 1.70 -0.29 0.00 0.00 0.00 0.00 60.65 62.63 1q82 s ILE 13 Cb -0.32 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 37.91 1q82 s ILE 13 CO 0.32 -0.09 2.08 -0.70 0.00 0.00 0.00 174.94 176.55 1q82 s GLU 14 N 2.84 3.74 0.22 2.79 2.56 -1.26 -4.48 118.70 125.11 1q82 s GLU 14 Ca 0.38 2.40 -0.30 0.00 0.00 0.00 0.00 54.97 57.44 1q82 s GLU 14 Cb -0.15 -4.25 -0.15 0.00 2.00 0.00 0.00 34.13 31.57 1q82 s GLU 14 CO 0.08 -1.41 0.96 -0.35 -0.56 0.00 0.00 175.26 173.98 1q82 n PRO 15 N 8.03 0.95 -1.73 4.30 -0.04 -1.26 -1.78 135.00 143.47 1q82 n PRO 15 Ca 0.24 0.33 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 1q82 n PRO 15 Cb 0.43 -1.67 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1q82 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q82 n GLY 16 N 1.66 0.36 3.20 0.55 0.00 -1.26 -5.04 105.19 104.67 1q82 n GLY 16 Ca 0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1q82 n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s THR 17 N -2.07 0.11 0.00 2.61 2.01 -0.73 -5.17 115.64 112.40 1q82 s THR 17 Ca 0.00 -0.91 0.00 0.00 0.31 0.00 0.00 61.69 61.09 1q82 s THR 17 Cb 0.00 -1.01 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1q82 s THR 17 CO 0.00 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.04 1q82 n GLY 18 N 0.50 0.93 3.17 4.40 0.00 -1.26 -4.79 105.19 108.14 1q82 n GLY 18 Ca -0.18 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1q82 n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s THR 19 N -1.97 1.19 -0.27 2.61 2.01 -0.92 -5.00 115.64 113.28 1q82 s THR 19 Ca 0.00 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 1q82 s THR 19 Cb 0.00 -1.10 0.04 0.00 0.01 0.00 0.00 72.50 71.45 1q82 s THR 19 CO 0.00 -0.10 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.48 1q82 s MET 20 N -1.49 2.62 -0.14 4.92 1.75 -1.26 -0.80 119.30 124.90 1q82 s MET 20 Ca 0.01 -1.13 -0.19 0.00 -1.25 0.00 0.00 55.69 53.13 1q82 s MET 20 Cb -0.09 -3.08 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 1q82 s MET 20 CO 0.02 -0.51 0.51 0.12 -0.65 0.00 0.00 175.02 174.50 1q82 s PHE 21 N 1.28 3.48 -0.31 4.11 5.36 0.06 -4.90 117.98 127.06 1q82 s PHE 21 Ca -0.03 0.88 -0.11 0.00 -0.96 0.00 0.00 56.93 56.72 1q82 s PHE 21 Cb -0.18 -2.61 -0.02 0.00 -0.34 0.00 0.00 43.02 39.87 1q82 s PHE 21 CO -0.03 0.08 0.18 0.08 -1.46 0.00 0.00 175.22 174.08 1q82 s VAL 22 N 0.94 4.96 0.83 3.12 1.01 -1.26 -0.38 120.40 129.62 1q82 s VAL 22 Ca 0.26 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 1q82 s VAL 22 Cb -0.15 -3.47 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1q82 s VAL 22 CO 0.11 0.12 1.10 -1.00 0.00 0.00 0.00 175.10 175.43 1q82 s HIS 23 N 1.68 2.72 0.18 5.22 0.09 -0.11 -4.93 115.29 120.16 1q82 s HIS 23 Ca 0.06 1.10 -0.14 0.00 -0.00 0.00 0.00 55.06 56.08 1q82 s HIS 23 Cb -0.17 -3.18 0.17 0.00 -0.00 0.00 0.00 32.58 29.40 1q82 s HIS 23 CO 0.08 -1.94 1.70 -0.22 -0.00 0.00 0.00 174.74 174.37 1q82 h LYS 24 N -1.21 0.17 0.00 1.40 3.64 -1.98 -1.38 116.57 117.21 1q82 h LYS 24 Ca -0.48 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1q82 h LYS 24 Cb 1.28 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1q82 h LYS 24 CO 0.59 0.11 -0.18 0.38 -2.27 0.00 0.00 179.45 178.09 1q82 h ASP 25 N 0.17 0.00 0.00 4.20 -0.00 -2.05 -3.46 116.42 115.29 1q82 h ASP 25 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.26 1q82 h ASP 25 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.66 1q82 h ASP 25 CO -0.34 0.18 0.00 0.61 -0.00 0.00 0.00 179.24 179.69 1q82 n GLY 26 N -0.36 1.47 3.53 7.15 0.00 -0.52 -5.12 105.19 111.35 1q82 n GLY 26 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1q82 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q82 n ALA 27 N 0.00 -1.44 -3.25 4.61 0.00 -1.26 -4.62 120.51 114.55 1q82 n ALA 27 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.74 1q82 n ALA 27 Cb 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.30 1q82 n ALA 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1q82 s THR 28 N -2.25 1.25 -0.20 0.00 2.01 -1.26 -0.93 115.64 114.26 1q82 s THR 28 Ca 0.64 -0.57 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 1q82 s THR 28 Cb -0.26 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.18 1q82 s THR 28 CO 0.60 0.38 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.98 1q82 s THR 29 N 0.42 1.18 -0.18 -0.82 2.01 0.49 -4.98 115.64 113.77 1q82 s THR 29 Ca -0.11 -0.88 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 1q82 s THR 29 Cb -0.14 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1q82 s THR 29 CO 0.03 -0.04 0.76 -1.00 -0.69 0.00 0.00 174.62 173.68 1q82 s HIS 30 N 1.57 3.41 -0.06 4.92 3.76 -1.26 -0.76 115.29 126.87 1q82 s HIS 30 Ca -0.03 1.15 0.00 0.00 -0.15 0.00 0.00 55.06 56.03 1q82 s HIS 30 Cb -0.17 -2.94 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1q82 s HIS 30 CO -0.07 -0.21 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.51 1q82 s PHE 31 N 2.06 3.02 -0.87 1.40 0.40 0.02 -1.43 117.98 122.58 1q82 s PHE 31 Ca 0.35 0.08 0.24 0.00 -0.60 0.00 0.00 56.93 57.00 1q82 s PHE 31 Cb -0.16 -1.72 0.29 0.00 0.51 0.00 0.00 43.02 41.93 1q82 s PHE 31 CO 0.12 0.40 1.25 0.00 0.70 0.00 0.00 175.22 177.68 1q82 s SER 33 N -3.34 -0.33 0.23 0.00 1.04 -1.26 -4.47 113.70 105.56 1q82 s SER 33 Ca 0.08 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.11 1q82 s SER 33 Cb 0.16 0.63 0.22 0.00 0.10 0.00 0.00 66.02 67.13 1q82 s SER 33 CO 0.75 -1.11 1.66 0.77 0.98 0.00 0.00 173.24 176.29 1q82 h SER 34 N 2.00 0.78 -0.87 7.02 4.64 -1.99 -2.40 113.55 122.74 1q82 h SER 34 Ca -0.24 -0.26 0.16 0.00 -0.47 0.00 0.00 61.79 60.99 1q82 h SER 34 Cb 1.26 -0.21 -0.10 0.00 -0.31 0.00 0.00 62.40 63.04 1q82 h SER 34 CO 0.28 0.95 0.44 0.50 -0.87 0.00 0.00 176.83 178.12 1q82 h LYS 35 N 0.70 0.57 0.22 4.77 3.64 -1.99 0.19 116.57 124.67 1q82 h LYS 35 Ca 0.11 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.16 1q82 h LYS 35 Cb 0.65 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1q82 h LYS 35 CO 0.05 0.38 -1.30 0.00 -2.27 0.00 0.00 179.45 176.31 1q82 h GLU 37 N 0.01 -0.42 -0.62 0.00 5.08 -0.86 0.19 114.58 117.97 1q82 h GLU 37 Ca -0.23 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1q82 h GLU 37 Cb 2.02 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.34 1q82 h GLU 37 CO 0.24 -0.28 0.41 -0.91 -1.00 0.00 0.00 179.01 177.48 1q82 h ASN 38 N -0.43 0.69 0.55 1.42 2.35 -0.69 0.08 115.58 119.55 1q82 h ASN 38 Ca 0.08 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1q82 h ASN 38 Cb 0.56 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1q82 h ASN 38 CO -0.34 0.50 -0.55 0.78 -1.65 0.00 0.00 177.43 176.17 1q82 h ASN 39 N 0.82 0.00 -0.05 5.81 4.21 -0.78 -2.45 115.58 123.14 1q82 h ASN 39 Ca 0.23 -0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.57 1q82 h ASN 39 Cb -0.06 -0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.15 1q82 h ASN 39 CO -0.05 0.55 -0.62 0.00 -1.29 0.00 0.00 177.43 176.01 1q82 h ALA 40 N 1.45 0.14 0.00 -0.83 0.00 -0.05 -2.55 119.26 117.42 1q82 h ALA 40 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1q82 h ALA 40 Cb 0.97 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1q82 h ALA 40 CO 0.07 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 179.30 1q82 h ASP 41 N 0.07 0.00 0.16 0.00 3.32 -0.88 0.29 116.42 119.38 1q82 h ASP 41 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1q82 h ASP 41 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1q82 h ASP 41 CO 0.13 0.00 -0.02 0.18 -1.72 0.00 0.00 179.24 177.81 1q82 n LEU 42 N -2.83 0.28 0.00 1.55 4.77 -0.94 -4.88 117.00 114.95 1q82 n LEU 42 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1q82 n LEU 42 Cb 0.17 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1q82 n LEU 42 CO 0.21 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1q82 n GLY 43 N 1.12 0.65 3.84 -0.72 0.00 0.10 -5.04 105.19 105.14 1q82 n GLY 43 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1q82 n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q82 s ARG 44 N -0.19 3.91 -0.16 1.61 0.52 -0.97 -5.03 118.95 118.65 1q82 s ARG 44 Ca 0.00 0.99 -0.03 0.00 -0.52 0.00 0.00 55.73 56.18 1q82 s ARG 44 Cb 0.00 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 1q82 s ARG 44 CO 0.00 -0.31 -0.06 -1.21 0.02 0.00 0.00 175.30 173.74 1q82 s GLU 45 N -4.00 3.54 0.57 3.54 2.02 -1.26 -4.50 118.70 118.61 1q82 s GLU 45 Ca 0.60 -0.58 0.35 0.00 0.02 0.00 0.00 54.97 55.35 1q82 s GLU 45 Cb -0.10 -2.87 1.43 0.00 0.10 0.00 0.00 34.13 32.69 1q82 s GLU 45 CO 0.30 0.15 1.69 0.00 0.02 0.00 0.00 175.26 177.42 1q82 h ALA 46 N 6.98 2.96 -0.28 5.21 0.00 -1.94 -0.40 119.26 131.80 1q82 h ALA 46 Ca -0.31 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1q82 h ALA 46 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1q82 h ALA 46 CO 0.60 -1.48 -0.30 0.00 0.00 0.00 0.00 179.25 178.07 1q82 h ARG 47 N 0.00 0.59 -0.00 0.00 3.08 -1.92 -3.06 114.38 113.06 1q82 h ARG 47 Ca 0.51 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1q82 h ARG 47 Cb 2.35 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 32.38 1q82 h ARG 47 CO -0.01 0.82 -0.06 0.09 -1.07 0.00 0.00 179.97 179.75 1q82 n ASN 48 N -4.08 0.11 -4.55 7.04 3.02 -0.16 -4.39 115.26 112.24 1q82 n ASN 48 Ca -0.01 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 1q82 n ASN 48 Cb 0.45 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 1q82 n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1q82 s LEU 49 N -2.77 4.19 0.52 3.41 1.43 -1.16 -4.99 118.68 119.31 1q82 s LEU 49 Ca 0.21 -0.21 0.26 0.00 -1.03 0.00 0.00 54.13 53.36 1q82 s LEU 49 Cb 0.19 -2.11 1.42 0.00 0.03 0.00 0.00 46.19 45.73 1q82 s LEU 49 CO 0.51 -0.13 2.07 -0.33 0.23 0.00 0.00 176.35 178.70 1q82 h GLU 50 N 8.41 0.00 0.00 1.70 5.08 -1.85 -2.73 114.58 125.19 1q82 h GLU 50 Ca -0.34 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 1q82 h GLU 50 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1q82 h GLU 50 CO 0.59 0.12 -0.22 0.11 -1.00 0.00 0.00 179.01 178.61 1q82 h TRP 51 N 0.00 0.00 -3.34 4.33 5.08 -1.94 -3.42 115.95 116.66 1q82 h TRP 51 Ca -0.00 0.00 -0.52 0.00 1.08 0.00 0.00 58.89 59.44 1q82 h TRP 51 Cb 0.32 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.50 1q82 h TRP 51 CO 0.00 0.22 0.60 0.99 -1.28 0.00 0.00 178.44 178.97 1q82 s THR 52 N -3.25 3.54 0.33 0.12 2.01 -1.03 -4.92 115.64 112.43 1q82 s THR 52 Ca 0.04 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.29 1q82 s THR 52 Cb 0.07 -3.78 0.28 0.00 0.01 0.00 0.00 72.50 69.08 1q82 s THR 52 CO 0.68 0.16 1.94 0.44 -0.69 0.00 0.00 174.62 177.15 1q82 h ASP 53 N 5.77 0.81 0.15 3.53 5.19 -1.81 0.11 116.42 130.17 1q82 h ASP 53 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1q82 h ASP 53 Cb 1.21 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.52 1q82 h ASP 53 CO 0.78 0.53 -0.35 0.74 -3.12 0.00 0.00 179.24 177.82 1q82 h THR 54 N 0.92 0.00 -0.89 0.35 2.02 -0.60 -0.42 112.91 114.29 1q82 h THR 54 Ca 0.35 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.75 1q82 h THR 54 Cb 0.19 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.54 1q82 h THR 54 CO -0.12 0.00 0.60 0.00 0.37 0.00 0.00 175.52 176.37 1q82 h ALA 55 N -0.98 2.41 -0.01 6.16 0.00 -1.42 -3.48 119.26 121.95 1q82 h ALA 55 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1q82 h ALA 55 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1q82 h ALA 55 CO -0.15 -0.69 0.00 0.54 0.00 0.00 0.00 179.25 178.95