#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqb n ASP 3 N 0.00 1.14 -0.00 0.00 8.00 -1.26 -4.78 116.55 119.65 1hqb n ASP 3 Ca 0.00 0.97 0.09 0.00 0.71 0.00 0.00 54.79 56.57 1hqb n ASP 3 Cb 0.00 -0.91 -0.12 0.00 -0.02 0.00 0.00 41.12 40.07 1hqb n ASP 3 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1hqb n GLU 4 N 5.48 0.58 0.05 -1.24 2.13 -1.26 -4.10 120.64 122.28 1hqb n GLU 4 Ca 0.40 -0.03 0.10 0.00 0.66 0.00 0.00 57.16 58.29 1hqb n GLU 4 Cb -0.03 -1.43 0.43 0.00 0.27 0.00 0.00 31.44 30.68 1hqb n GLU 4 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hqb n ALA 5 N -1.60 1.86 -0.10 4.31 0.00 -1.26 -1.34 120.51 122.39 1hqb n ALA 5 Ca 0.02 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1hqb n ALA 5 Cb 0.34 -1.35 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1hqb n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1hqb n ILE 6 N -1.80 1.51 -0.14 0.00 5.41 -1.26 -2.15 119.36 120.94 1hqb n ILE 6 Ca 0.04 -0.01 0.03 0.00 1.00 0.00 0.00 62.75 63.81 1hqb n ILE 6 Cb 0.25 -2.10 0.33 0.00 -0.71 0.00 0.00 39.64 37.40 1hqb n ILE 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1hqb h LYS 7 N -1.00 0.79 0.18 0.38 3.64 -1.72 0.71 116.57 119.55 1hqb h LYS 7 Ca -0.31 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1hqb h LYS 7 Cb 1.17 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1hqb h LYS 7 CO -0.19 0.52 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.46 1hqb h ASN 8 N 0.81 -0.20 -0.52 4.20 -0.73 -1.38 -2.43 115.58 115.33 1hqb h ASN 8 Ca 0.24 -0.26 0.09 0.00 1.87 0.00 0.00 56.30 58.24 1hqb h ASN 8 Cb -0.03 0.05 -0.07 0.00 0.27 0.00 0.00 38.32 38.54 1hqb h ASN 8 CO -0.06 0.35 0.10 1.23 -0.37 0.00 0.00 177.43 178.68 1hqb h GLY 9 N -0.96 0.63 0.60 1.57 0.00 -1.18 1.49 103.07 105.22 1hqb h GLY 9 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1hqb h GLY 9 CO 0.04 -0.08 0.04 -2.08 0.00 0.00 0.00 176.54 174.46 1hqb h VAL 10 N 0.23 0.82 -0.28 4.60 2.07 0.33 0.67 116.25 124.70 1hqb h VAL 10 Ca 0.26 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1hqb h VAL 10 Cb 0.36 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1hqb h VAL 10 CO -0.35 0.02 0.00 0.25 0.02 0.00 0.00 177.57 177.52 1hqb h LEU 11 N 0.14 0.49 -1.23 2.57 6.46 -0.71 -0.62 115.31 122.41 1hqb h LEU 11 Ca 0.14 -0.30 0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1hqb h LEU 11 Cb 0.17 -0.13 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 1hqb h LEU 11 CO -0.21 0.67 0.56 -0.78 -0.62 0.00 0.00 178.44 178.07 1hqb h ASP 12 N 0.29 0.78 1.34 1.25 1.82 0.27 0.57 116.42 122.75 1hqb h ASP 12 Ca 0.08 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1hqb h ASP 12 Cb 0.42 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.29 1hqb h ASP 12 CO 0.01 0.46 -0.12 0.40 -1.61 0.00 0.00 179.24 178.39 1hqb h ILE 13 N 0.86 0.25 0.18 2.25 2.04 0.72 -2.13 117.51 121.68 1hqb h ILE 13 Ca 0.40 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 1hqb h ILE 13 Cb 0.40 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1hqb h ILE 13 CO -0.17 0.12 -0.09 -0.07 0.00 0.00 0.00 178.15 177.95 1hqb h LEU 14 N 0.00 -0.21 -1.30 1.44 4.07 0.16 -0.27 115.31 119.21 1hqb h LEU 14 Ca -0.00 -0.24 0.09 0.00 0.08 0.00 0.00 57.88 57.80 1hqb h LEU 14 Cb 0.83 0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 1hqb h LEU 14 CO 0.02 0.34 0.53 0.00 -1.08 0.00 0.00 178.44 178.25 1hqb h ALA 15 N -0.63 1.70 -0.25 1.53 0.00 -0.87 0.14 119.26 120.87 1hqb h ALA 15 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1hqb h ALA 15 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1hqb h ALA 15 CO 0.04 0.15 -0.39 0.22 0.00 0.00 0.00 179.25 179.27 1hqb h ASP 16 N 0.80 0.61 0.59 0.00 3.58 -1.42 0.78 116.42 121.35 1hqb h ASP 16 Ca 0.37 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 1hqb h ASP 16 Cb 0.38 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 1hqb h ASP 16 CO -0.14 0.93 -0.34 0.25 -2.88 0.00 0.00 179.24 177.06 1hqb h LEU 17 N 0.48 -0.84 -0.35 2.28 6.46 0.11 -3.02 115.31 120.42 1hqb h LEU 17 Ca 0.04 0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.70 1hqb h LEU 17 Cb 0.89 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1hqb h LEU 17 CO 0.08 -0.54 -0.37 0.71 -0.62 0.00 0.00 178.44 177.70 1hqb h THR 18 N -0.87 1.28 0.00 1.05 1.35 -1.22 -3.48 112.91 111.03 1hqb h THR 18 Ca -0.07 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1hqb h THR 18 Cb 0.70 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1hqb h THR 18 CO 0.09 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1hqb n GLY 19 N 0.16 0.88 3.23 5.82 0.00 0.27 -5.01 105.19 110.54 1hqb n GLY 19 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1hqb n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqb s SER 20 N -2.04 1.62 -0.36 1.61 0.01 -0.99 -4.98 113.70 108.56 1hqb s SER 20 Ca 0.00 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.27 1hqb s SER 20 Cb 0.00 0.01 0.31 0.00 0.21 0.00 0.00 66.02 66.55 1hqb s SER 20 CO 0.00 -0.35 1.89 0.47 0.41 0.00 0.00 173.24 175.66 1hqb n ASP 21 N -0.08 5.85 -0.02 2.44 8.00 -1.26 -4.14 116.55 127.34 1hqb n ASP 21 Ca -0.11 -3.16 -0.22 0.00 0.71 0.00 0.00 54.79 52.01 1hqb n ASP 21 Cb 0.60 -0.95 -0.13 0.00 -0.02 0.00 0.00 41.12 40.62 1hqb n ASP 21 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1hqb h ASP 22 N 1.32 0.29 1.85 -2.24 1.82 -1.96 -3.36 116.42 114.15 1hqb h ASP 22 Ca 0.37 -0.80 -0.03 0.00 -0.39 0.00 0.00 57.03 56.18 1hqb h ASP 22 Cb 1.23 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 1hqb h ASP 22 CO 0.88 1.70 -0.14 1.62 -1.61 0.00 0.00 179.24 181.69 1hqb h VAL 23 N -0.32 0.24 -0.05 2.25 3.04 -1.80 -2.35 116.25 117.24 1hqb h VAL 23 Ca -0.37 -1.32 0.02 0.00 -1.01 0.00 0.00 66.70 64.01 1hqb h VAL 23 Cb 1.76 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 33.15 1hqb h VAL 23 CO -0.00 0.13 0.12 0.50 -1.01 0.00 0.00 177.57 177.31 1hqb h LYS 24 N 0.00 0.00 0.00 4.17 3.11 -1.78 -3.33 116.57 118.74 1hqb h LYS 24 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1hqb h LYS 24 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1hqb h LYS 24 CO 0.02 0.00 0.00 1.17 -2.81 0.00 0.00 179.45 177.83 1hqb n LYS 25 N -3.40 0.00 -1.58 1.90 3.00 -1.17 -5.00 118.16 111.91 1hqb n LYS 25 Ca -0.01 0.00 -0.53 0.00 -0.00 0.00 0.00 58.31 57.76 1hqb n LYS 25 Cb 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 35.03 35.07 1hqb n LYS 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1hqb n ASN 26 N -1.82 1.42 -1.48 3.14 4.13 -0.89 -4.83 115.26 114.92 1hqb n ASN 26 Ca 0.00 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.38 1hqb n ASN 26 Cb 0.00 -1.14 0.28 0.00 -1.54 0.00 0.00 39.78 37.38 1hqb n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1hqb n LEU 27 N 2.51 5.00 -1.75 3.41 4.77 -1.26 -4.28 117.00 125.41 1hqb n LEU 27 Ca 0.19 -3.24 -0.03 0.00 -0.03 0.00 0.00 56.01 52.90 1hqb n LEU 27 Cb 0.17 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1hqb n LEU 27 CO 0.63 0.83 0.37 -0.67 -1.33 0.00 0.00 177.39 177.22 1hqb n ASP 28 N -0.40 -0.64 -4.47 -1.43 2.03 -1.26 -3.57 116.55 106.80 1hqb n ASP 28 Ca 0.32 -2.07 -0.43 0.00 0.52 0.00 0.00 54.79 53.14 1hqb n ASP 28 Cb 1.15 0.27 -0.04 0.00 -0.72 0.00 0.00 41.12 41.79 1hqb n ASP 28 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1hqb s LEU 29 N -1.61 4.21 -0.43 -2.67 2.96 -1.26 -4.95 118.68 114.93 1hqb s LEU 29 Ca 0.10 -0.96 -0.41 0.00 -0.22 0.00 0.00 54.13 52.64 1hqb s LEU 29 Cb 0.22 -2.44 -0.16 0.00 0.50 0.00 0.00 46.19 44.31 1hqb s LEU 29 CO -0.07 -1.49 2.08 0.59 -1.32 0.00 0.00 176.35 176.14 1hqb n ASN 30 N 7.93 1.39 0.00 3.68 5.03 -1.26 -4.56 115.26 127.47 1hqb n ASN 30 Ca -0.01 0.67 0.08 0.00 0.87 0.00 0.00 54.58 56.19 1hqb n ASN 30 Cb 0.46 -1.04 0.39 0.00 -1.02 0.00 0.00 39.78 38.58 1hqb n ASN 30 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1hqb n LEU 31 N 7.80 0.00 -0.05 3.41 4.77 0.56 -1.11 117.00 132.37 1hqb n LEU 31 Ca 0.46 0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 56.68 1hqb n LEU 31 Cb 0.06 -0.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1hqb n LEU 31 CO 0.84 -0.16 -0.85 0.49 -1.33 0.00 0.00 177.39 176.38 1hqb n PHE 32 N -1.36 0.00 0.32 -1.77 3.01 -1.26 0.36 117.46 116.76 1hqb n PHE 32 Ca 0.07 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.63 1hqb n PHE 32 Cb 0.15 -0.39 0.47 0.00 -0.01 0.00 0.00 39.48 39.69 1hqb n PHE 32 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1hqb n GLU 33 N -3.54 0.15 0.02 -1.08 2.13 -1.22 -1.00 120.64 116.09 1hqb n GLU 33 Ca -0.21 0.47 0.11 0.00 0.66 0.00 0.00 57.16 58.19 1hqb n GLU 33 Cb 0.63 -1.83 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 1hqb n GLU 33 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1hqb n THR 34 N -2.11 0.14 -0.96 6.31 -1.04 -0.27 -4.95 114.28 111.40 1hqb n THR 34 Ca 0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1hqb n THR 34 Cb 0.15 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1hqb n THR 34 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqb n GLY 35 N 1.36 0.51 0.18 3.41 0.00 -0.17 -4.86 105.19 105.63 1hqb n GLY 35 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1hqb n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hqb h LEU 36 N 0.00 0.02 -9.50 0.99 3.38 -1.80 -3.44 115.31 104.97 1hqb h LEU 36 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 1hqb h LEU 36 Cb 0.16 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.80 1hqb h LEU 36 CO 0.00 0.42 -0.66 -0.22 0.09 0.00 0.00 178.44 178.06 1hqb s LEU 37 N -8.16 3.08 0.18 1.67 0.20 0.16 -4.48 118.68 111.33 1hqb s LEU 37 Ca -0.03 -0.73 0.00 0.00 0.69 0.00 0.00 54.13 54.06 1hqb s LEU 37 Cb 0.14 -1.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.31 1hqb s LEU 37 CO 0.73 -0.00 0.00 0.47 -0.29 0.00 0.00 176.35 177.26 1hqb n ASP 38 N -0.85 0.42 0.00 3.68 8.00 -1.26 -4.73 116.55 121.81 1hqb n ASP 38 Ca -0.06 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1hqb n ASP 38 Cb 0.59 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1hqb n ASP 38 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1hqb n SER 39 N -3.40 -0.04 0.14 -2.24 2.88 -1.26 -4.95 113.62 104.75 1hqb n SER 39 Ca 0.00 0.16 0.08 0.00 -1.33 0.00 0.00 58.87 57.79 1hqb n SER 39 Cb 0.00 0.20 0.58 0.00 -0.75 0.00 0.00 64.21 64.24 1hqb n SER 39 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1hqb h MET 40 N 0.00 0.18 0.05 -1.46 4.05 -2.00 -2.29 114.93 113.46 1hqb h MET 40 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1hqb h MET 40 Cb 0.00 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1hqb h MET 40 CO 0.00 0.12 -0.04 0.78 0.23 0.00 0.00 176.91 177.99 1hqb h GLY 41 N 0.18 -0.09 1.14 1.39 0.00 -1.97 -0.93 103.07 102.80 1hqb h GLY 41 Ca 0.09 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.50 1hqb h GLY 41 CO -0.02 -0.05 0.49 0.00 0.00 0.00 0.00 176.54 176.97 1hqb h THR 42 N -0.10 1.11 0.00 4.70 1.03 -1.81 0.13 112.91 117.97 1hqb h THR 42 Ca 0.00 -0.31 -0.00 0.00 -0.01 0.00 0.00 66.41 66.09 1hqb h THR 42 Cb 0.10 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 1hqb h THR 42 CO -0.01 0.17 -0.00 0.58 -0.01 0.00 0.00 175.52 176.24 1hqb h VAL 43 N 0.91 1.05 0.63 0.00 2.07 -1.11 -0.50 116.25 119.30 1hqb h VAL 43 Ca 0.30 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1hqb h VAL 43 Cb 0.06 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1hqb h VAL 43 CO -0.09 0.04 -0.30 -0.61 0.02 0.00 0.00 177.57 176.63 1hqb h GLN 44 N -0.06 -0.82 -1.07 1.57 4.15 -0.45 -2.15 115.11 116.28 1hqb h GLN 44 Ca -0.00 0.06 0.31 0.00 0.77 0.00 0.00 58.65 59.79 1hqb h GLN 44 Cb 0.06 0.19 -0.12 0.00 0.21 0.00 0.00 27.48 27.81 1hqb h GLN 44 CO 0.00 -0.52 0.65 1.37 -1.93 0.00 0.00 178.83 178.40 1hqb h LEU 45 N -0.92 0.48 -0.90 -2.39 8.10 -0.71 1.52 115.31 120.49 1hqb h LEU 45 Ca -0.09 0.14 -0.03 0.00 0.11 0.00 0.00 57.88 58.01 1hqb h LEU 45 Cb 0.67 0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.93 1hqb h LEU 45 CO 0.14 -0.03 0.37 -0.07 -4.11 0.00 0.00 178.44 174.74 1hqb h LEU 46 N 0.35 1.06 -1.48 0.17 3.38 -0.57 0.53 115.31 118.75 1hqb h LEU 46 Ca 0.69 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.51 1hqb h LEU 46 Cb 1.69 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1hqb h LEU 46 CO -0.45 0.91 0.13 0.25 0.09 0.00 0.00 178.44 179.36 1hqb h LEU 47 N 1.15 0.42 0.00 1.67 7.12 0.27 0.34 115.31 126.29 1hqb h LEU 47 Ca 0.27 -0.04 -0.13 0.00 0.13 0.00 0.00 57.88 58.12 1hqb h LEU 47 Cb 0.14 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 1hqb h LEU 47 CO -0.03 0.39 -0.83 -0.33 -0.13 0.00 0.00 178.44 177.51 1hqb h GLU 48 N 0.47 0.00 -0.00 1.25 3.07 -0.23 -3.14 114.58 116.00 1hqb h GLU 48 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1hqb h GLU 48 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1hqb h GLU 48 CO -0.01 0.43 -0.22 1.28 -1.40 0.00 0.00 179.01 179.09 1hqb n LEU 49 N -3.10 0.29 -0.79 1.33 4.77 0.17 -2.44 117.00 117.24 1hqb n LEU 49 Ca -0.02 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.24 1hqb n LEU 49 Cb 0.77 -0.34 0.21 0.00 -2.33 0.00 0.00 43.42 41.73 1hqb n LEU 49 CO 0.41 0.07 0.67 1.67 -1.33 0.00 0.00 177.39 178.88 1hqb n GLN 50 N -1.39 2.95 0.06 3.23 7.27 0.11 0.19 117.38 129.80 1hqb n GLN 50 Ca 0.08 -2.41 0.00 0.00 0.07 0.00 0.00 57.00 54.74 1hqb n GLN 50 Cb 0.33 -1.53 0.00 0.00 2.41 0.00 0.00 30.24 31.45 1hqb n GLN 50 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1hqb n SER 51 N 0.14 0.75 0.12 1.69 2.88 -1.19 -3.98 113.62 114.04 1hqb n SER 51 Ca 0.16 0.19 0.01 0.00 -1.33 0.00 0.00 58.87 57.90 1hqb n SER 51 Cb 0.64 -0.16 -0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1hqb n SER 51 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1hqb h GLN 52 N 0.00 0.00 0.00 -1.46 1.08 -1.75 -3.34 115.11 109.65 1hqb h GLN 52 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1hqb h GLN 52 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1hqb h GLN 52 CO 0.00 0.58 -0.97 1.19 -0.95 0.00 0.00 178.83 178.68 1hqb n PHE 53 N -3.24 0.00 -3.86 2.96 3.01 -1.25 -5.02 117.46 110.06 1hqb n PHE 53 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 1hqb n PHE 53 Cb 0.78 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 40.21 1hqb n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hqb n GLY 54 N 2.15 -0.38 3.72 1.37 0.00 -0.45 -4.76 105.19 106.83 1hqb n GLY 54 Ca -0.00 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1hqb n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqb s VAL 55 N -3.52 2.71 -0.41 1.61 0.11 0.52 -4.86 120.40 116.56 1hqb s VAL 55 Ca 0.35 0.23 0.11 0.00 -2.93 0.00 0.00 61.98 59.74 1hqb s VAL 55 Cb -0.18 -2.69 0.37 0.00 -1.53 0.00 0.00 36.38 32.36 1hqb s VAL 55 CO 0.84 -0.30 0.85 0.47 -3.33 0.00 0.00 175.10 173.63 1hqb n ASP 56 N -3.87 2.09 -4.88 3.54 8.00 -1.26 -4.55 116.55 115.62 1hqb n ASP 56 Ca 0.07 -3.17 -0.30 0.00 0.71 0.00 0.00 54.79 52.10 1hqb n ASP 56 Cb 0.55 -0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 1hqb n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqb s ALA 57 N -2.88 3.40 0.85 2.24 0.00 -1.26 -5.07 121.76 119.03 1hqb s ALA 57 Ca 0.40 -0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 1hqb s ALA 57 Cb 0.36 -2.63 0.10 0.00 0.00 0.00 0.00 23.12 20.95 1hqb s ALA 57 CO -0.08 0.10 1.11 -1.25 0.00 0.00 0.00 175.76 175.64 1hqb s PRO 58 N -3.65 1.66 0.00 0.00 0.04 -1.26 -5.01 135.00 126.79 1hqb s PRO 58 Ca 0.50 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1hqb s PRO 58 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1hqb s PRO 58 CO 0.29 -1.88 0.00 0.28 0.04 0.00 0.00 177.00 175.73 1hqb n VAL 59 N -3.58 0.00 -0.42 -0.36 0.31 -1.26 -4.41 118.33 108.62 1hqb n VAL 59 Ca 0.07 0.00 0.35 0.00 -0.01 0.00 0.00 64.34 64.74 1hqb n VAL 59 Cb 0.58 -0.41 0.57 0.00 -0.91 0.00 0.00 33.84 33.67 1hqb n VAL 59 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1hqb n SER 60 N -2.17 0.14 0.00 4.52 3.41 -1.26 -3.56 113.62 114.69 1hqb n SER 60 Ca 0.00 1.07 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1hqb n SER 60 Cb 0.08 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1hqb n SER 60 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1hqb n GLU 61 N -4.19 0.00 -0.81 4.33 2.13 -1.26 -5.17 120.64 115.67 1hqb n GLU 61 Ca 0.33 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.85 1hqb n GLU 61 Cb 1.34 0.00 0.26 0.00 0.27 0.00 0.00 31.44 33.31 1hqb n GLU 61 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1hqb s PHE 62 N 0.00 0.00 -1.14 4.31 -0.12 -1.23 -4.90 117.98 114.90 1hqb s PHE 62 Ca 0.00 0.51 -0.15 0.00 -0.05 0.00 0.00 56.93 57.24 1hqb s PHE 62 Cb 0.00 -3.25 0.15 0.00 -0.63 0.00 0.00 43.02 39.29 1hqb s PHE 62 CO 0.00 -4.34 1.38 -0.51 -0.05 0.00 0.00 175.22 171.69 1hqb s ASP 63 N -3.62 6.94 0.58 1.98 1.01 -1.26 -4.82 116.67 117.48 1hqb s ASP 63 Ca 0.70 -2.70 0.37 0.00 0.71 0.00 0.00 52.55 51.63 1hqb s ASP 63 Cb -0.11 -2.41 1.39 0.00 1.01 0.00 0.00 42.92 42.80 1hqb s ASP 63 CO 0.57 -0.86 1.56 0.08 0.21 0.00 0.00 175.17 176.72 1hqb h ARG 64 N 7.64 0.00 -0.58 8.23 0.11 -1.91 2.36 114.38 130.24 1hqb h ARG 64 Ca 0.28 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.38 1hqb h ARG 64 Cb 0.91 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.96 1hqb h ARG 64 CO 1.23 0.00 0.38 -0.22 0.10 0.00 0.00 179.97 181.46 1hqb h LYS 65 N 0.00 0.73 0.00 0.08 3.64 -1.98 1.62 116.57 120.66 1hqb h LYS 65 Ca 0.63 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.82 1hqb h LYS 65 Cb 2.91 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 34.54 1hqb h LYS 65 CO -0.01 0.48 -1.05 1.49 -2.27 0.00 0.00 179.45 178.09 1hqb h GLU 66 N 0.75 0.00 -0.56 1.90 4.81 0.36 -3.26 114.58 118.59 1hqb h GLU 66 Ca 0.22 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.28 1hqb h GLU 66 Cb -0.04 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.24 1hqb h GLU 66 CO -0.05 0.38 0.15 0.91 -0.73 0.00 0.00 179.01 179.67 1hqb n TRP 67 N -3.02 1.87 -0.08 0.92 7.02 -0.45 -2.52 117.44 121.18 1hqb n TRP 67 Ca -0.05 -1.21 -0.14 0.00 -1.02 0.00 0.00 57.50 55.09 1hqb n TRP 67 Cb 0.80 -0.57 -0.14 0.00 -2.42 0.00 0.00 31.31 28.97 1hqb n TRP 67 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1hqb n ASP 68 N -0.43 1.07 -4.60 -0.99 2.03 0.54 -4.83 116.55 109.33 1hqb n ASP 68 Ca 0.35 0.04 -0.24 0.00 0.52 0.00 0.00 54.79 55.47 1hqb n ASP 68 Cb 1.21 0.13 -0.08 0.00 -0.72 0.00 0.00 41.12 41.66 1hqb n ASP 68 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1hqb s THR 69 N -2.53 2.82 0.16 5.18 -4.23 -1.26 0.21 115.64 116.00 1hqb s THR 69 Ca -0.19 -2.05 -0.00 0.00 -1.18 0.00 0.00 61.69 58.27 1hqb s THR 69 Cb 0.07 -2.70 -0.14 0.00 1.34 0.00 0.00 72.50 71.07 1hqb s THR 69 CO 0.75 -0.29 1.38 1.55 -0.54 0.00 0.00 174.62 177.47 1hqb h PRO 70 N 1.93 0.31 -0.07 3.99 0.13 -1.80 -2.71 132.00 133.79 1hqb h PRO 70 Ca -0.43 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 1hqb h PRO 70 Cb 1.25 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1hqb h PRO 70 CO 0.64 0.99 -0.03 -0.91 -0.23 0.00 0.00 178.00 178.45 1hqb h ASN 71 N 0.19 0.14 -0.66 1.44 2.35 -1.93 0.74 115.58 117.86 1hqb h ASN 71 Ca -0.05 -0.42 0.10 0.00 -0.55 0.00 0.00 56.30 55.38 1hqb h ASN 71 Cb 1.45 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 39.73 1hqb h ASN 71 CO 0.14 0.53 0.44 0.11 -1.65 0.00 0.00 177.43 177.00 1hqb h LYS 72 N -0.25 0.47 0.03 0.81 1.57 -1.77 0.42 116.57 117.85 1hqb h LYS 72 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1hqb h LYS 72 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1hqb h LYS 72 CO 0.01 0.31 -0.01 0.82 -0.57 0.00 0.00 179.45 180.01 1hqb h ILE 73 N 0.49 1.23 -0.92 1.86 2.04 -1.18 -1.89 117.51 119.14 1hqb h ILE 73 Ca 0.31 -1.76 0.27 0.00 1.00 0.00 0.00 64.86 64.67 1hqb h ILE 73 Cb 0.55 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1hqb h ILE 73 CO -0.09 0.39 0.80 0.40 0.00 0.00 0.00 178.15 179.65 1hqb h ILE 74 N -0.94 0.31 0.13 -0.67 2.04 0.11 1.49 117.51 119.98 1hqb h ILE 74 Ca -0.00 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.54 1hqb h ILE 74 Cb 0.67 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1hqb h ILE 74 CO 0.01 0.00 -1.56 0.00 0.00 0.00 0.00 178.15 176.59 1hqb h ALA 75 N 1.27 0.26 0.00 1.87 0.00 -0.93 -2.87 119.26 118.85 1hqb h ALA 75 Ca 0.44 -1.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1hqb h ALA 75 Cb 2.03 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 1hqb h ALA 75 CO -0.00 1.13 -0.20 -0.22 0.00 0.00 0.00 179.25 179.95 1hqb h LYS 76 N 0.07 0.00 0.10 0.00 1.63 0.27 0.30 116.57 118.94 1hqb h LYS 76 Ca -0.26 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.28 1hqb h LYS 76 Cb 2.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.65 1hqb h LYS 76 CO 0.16 0.20 -1.22 0.28 -3.45 0.00 0.00 179.45 175.43 1hqb h VAL 77 N 0.00 1.51 0.00 2.00 2.07 -0.27 -3.20 116.25 118.36 1hqb h VAL 77 Ca -0.00 -3.12 -0.15 0.00 0.82 0.00 0.00 66.70 64.25 1hqb h VAL 77 Cb 0.50 2.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1hqb h VAL 77 CO 0.03 0.90 -0.70 -0.33 0.02 0.00 0.00 177.57 177.49 1hqb h GLU 78 N 0.06 0.00 -0.83 1.57 4.39 -1.14 -3.04 114.58 115.59 1hqb h GLU 78 Ca -0.12 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 1hqb h GLU 78 Cb 1.93 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.54 1hqb h GLU 78 CO 0.18 0.70 0.09 1.04 -1.16 0.00 0.00 179.01 179.86 1hqb n GLN 79 N -3.38 2.80 0.00 2.33 6.02 0.99 -3.85 117.38 122.29 1hqb n GLN 79 Ca 0.01 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1hqb n GLN 79 Cb 0.77 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1hqb n GLN 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqb n ALA 80 N 0.17 2.41 0.00 -1.58 0.00 -1.16 -5.00 120.51 115.35 1hqb n ALA 80 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1hqb n ALA 80 Cb 0.86 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.76 1hqb n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54