#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsb s ASN 5 N 0.00 6.59 0.29 4.38 2.20 -1.26 -4.93 114.94 122.21 3hsb s ASN 5 Ca 0.00 1.85 -0.02 0.00 -0.94 0.00 0.00 52.86 53.75 3hsb s ASN 5 Cb 0.00 -2.56 0.42 0.00 -2.00 0.00 0.00 41.25 37.11 3hsb s ASN 5 CO 0.00 -0.60 1.93 -0.29 -2.94 0.00 0.00 177.10 175.19 3hsb h ILE 6 N 1.74 1.22 0.35 0.54 6.09 -2.00 -2.90 117.51 122.54 3hsb h ILE 6 Ca -0.49 -0.50 -0.01 0.00 -1.37 0.00 0.00 64.86 62.49 3hsb h ILE 6 Cb 1.21 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 3hsb h ILE 6 CO 0.60 0.23 -0.23 -0.61 -3.07 0.00 0.00 178.15 175.07 3hsb h GLN 7 N 1.06 -0.54 -0.58 2.19 4.15 -1.99 -1.93 115.11 117.46 3hsb h GLN 7 Ca 0.27 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.78 3hsb h GLN 7 Cb -0.02 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 3hsb h GLN 7 CO -0.05 -0.36 0.32 -0.44 -1.93 0.00 0.00 178.83 176.37 3hsb h ASP 8 N -0.56 0.47 -0.00 -0.69 3.45 -1.96 -0.89 116.42 116.24 3hsb h ASP 8 Ca -0.03 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.45 3hsb h ASP 8 Cb 0.47 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.18 3hsb h ASP 8 CO 0.02 0.31 0.00 1.56 -1.57 0.00 0.00 179.24 179.57 3hsb h GLN 9 N 0.60 0.00 -0.14 3.56 4.20 -1.46 0.10 115.11 121.97 3hsb h GLN 9 Ca 0.26 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.00 3hsb h GLN 9 Cb 0.14 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3hsb h GLN 9 CO -0.16 0.05 -0.10 0.35 -0.67 0.00 0.00 178.83 178.31 3hsb h PHE 10 N -0.04 -0.23 -0.23 2.96 3.57 -1.25 0.23 116.94 121.95 3hsb h PHE 10 Ca 0.00 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 3hsb h PHE 10 Cb 0.05 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3hsb h PHE 10 CO -0.06 -0.15 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.29 3hsb h LEU 11 N -0.10 0.69 -0.59 0.59 3.38 -1.05 -2.12 115.31 116.11 3hsb h LEU 11 Ca 0.09 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3hsb h LEU 11 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hsb h LEU 11 CO -0.20 1.08 -0.04 -1.13 0.09 0.00 0.00 178.44 178.23 3hsb h ASN 12 N 0.49 1.06 0.87 -0.43 -1.24 -0.83 -2.20 115.58 113.31 3hsb h ASN 12 Ca 0.02 -0.32 -0.04 0.00 0.71 0.00 0.00 56.30 56.66 3hsb h ASN 12 Cb 1.05 -0.29 0.01 0.00 0.73 0.00 0.00 38.32 39.83 3hsb h ASN 12 CO 0.10 1.13 -0.42 -0.61 -1.29 0.00 0.00 177.43 176.34 3hsb h GLN 13 N 0.97 -1.12 -0.03 6.67 5.75 -0.33 -0.79 115.11 126.22 3hsb h GLN 13 Ca 0.16 0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3hsb h GLN 13 Cb 0.61 0.26 -0.00 0.00 1.07 0.00 0.00 27.48 29.41 3hsb h GLN 13 CO 0.04 -0.75 0.01 -0.84 -2.65 0.00 0.00 178.83 174.64 3hsb h ILE 14 N -1.18 1.01 0.51 2.39 3.07 -1.45 -0.73 117.51 121.14 3hsb h ILE 14 Ca -0.12 -0.04 -0.03 0.00 1.55 0.00 0.00 64.86 66.22 3hsb h ILE 14 Cb 0.89 0.98 0.01 0.00 -0.27 0.00 0.00 36.82 38.43 3hsb h ILE 14 CO 0.20 0.02 -0.25 -0.09 -1.05 0.00 0.00 178.15 176.97 3hsb h ARG 15 N 0.04 -0.67 -0.84 0.16 2.43 -1.26 -0.55 114.38 113.69 3hsb h ARG 15 Ca 0.01 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.43 3hsb h ARG 15 Cb 0.01 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.57 3hsb h ARG 15 CO -0.00 -0.37 0.06 0.87 -1.51 0.00 0.00 179.97 179.02 3hsb h LYS 16 N -1.06 0.10 -0.15 0.20 1.57 -0.88 -1.78 116.57 114.57 3hsb h LYS 16 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3hsb h LYS 16 Cb 0.60 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3hsb h LYS 16 CO 0.12 0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 3hsb n GLU 17 N -5.35 1.61 -3.66 3.15 1.02 -0.30 -4.90 120.64 112.21 3hsb n GLU 17 Ca 0.17 -0.92 -0.27 0.00 -0.02 0.00 0.00 57.16 56.12 3hsb n GLU 17 Cb 0.58 -1.37 -0.01 0.00 -0.02 0.00 0.00 31.44 30.63 3hsb n GLU 17 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hsb n ASN 18 N 0.15 -3.54 -4.74 1.62 5.03 -0.67 -4.88 115.26 108.23 3hsb n ASN 18 Ca 0.15 -0.59 -0.42 0.00 0.87 0.00 0.00 54.58 54.59 3hsb n ASN 18 Cb 0.28 -2.92 -0.02 0.00 -1.02 0.00 0.00 39.78 36.10 3hsb n ASN 18 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hsb s THR 19 N -3.03 2.06 0.19 3.41 2.01 -0.27 -4.94 115.64 115.06 3hsb s THR 19 Ca 0.52 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.26 3hsb s THR 19 Cb -0.28 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.11 3hsb s THR 19 CO 0.64 0.01 1.48 -0.31 -0.69 0.00 0.00 174.62 175.75 3hsb s TYR 20 N 0.58 3.09 -0.00 4.92 1.51 -1.26 -4.45 117.35 121.73 3hsb s TYR 20 Ca 0.69 0.84 0.00 0.00 -1.01 0.00 0.00 57.07 57.59 3hsb s TYR 20 Cb -0.49 -3.84 -0.00 0.00 -0.11 0.00 0.00 41.96 37.53 3hsb s TYR 20 CO 0.40 -2.93 -0.01 0.54 -1.11 0.00 0.00 175.55 172.45 3hsb s VAL 21 N 0.71 0.05 -0.12 0.71 0.11 -0.43 -3.22 120.40 118.21 3hsb s VAL 21 Ca 0.65 -0.03 -0.19 0.00 -2.93 0.00 0.00 61.98 59.48 3hsb s VAL 21 Cb -0.42 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3hsb s VAL 21 CO 0.35 0.01 0.54 -0.89 -3.33 0.00 0.00 175.10 171.78 3hsb s THR 22 N -0.02 5.14 -0.31 5.04 2.01 -0.47 -2.03 115.64 124.99 3hsb s THR 22 Ca 0.00 1.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 3hsb s THR 22 Cb -0.00 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 3hsb s THR 22 CO -0.00 0.28 0.18 -0.69 -0.69 0.00 0.00 174.62 173.70 3hsb s VAL 23 N 0.88 4.86 -0.01 3.82 1.01 0.77 0.15 120.40 131.89 3hsb s VAL 23 Ca 0.28 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 3hsb s VAL 23 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3hsb s VAL 23 CO 0.12 0.07 0.36 -0.36 0.00 0.00 0.00 175.10 175.29 3hsb s PHE 24 N 1.66 3.69 0.35 5.22 0.08 -0.28 -0.94 117.98 127.75 3hsb s PHE 24 Ca 0.05 0.88 0.07 0.00 0.12 0.00 0.00 56.93 58.06 3hsb s PHE 24 Cb -0.17 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3hsb s PHE 24 CO 0.08 0.64 0.36 -0.51 -0.10 0.00 0.00 175.22 175.69 3hsb s LEU 25 N -1.19 3.67 0.47 -0.37 1.43 0.13 -0.02 118.68 122.79 3hsb s LEU 25 Ca 0.24 -0.45 0.23 0.00 -1.03 0.00 0.00 54.13 53.12 3hsb s LEU 25 Cb -0.15 -2.35 1.25 0.00 0.03 0.00 0.00 46.19 44.97 3hsb s LEU 25 CO 0.13 -0.42 1.89 -0.07 0.23 0.00 0.00 176.35 178.10 3hsb h LEU 26 N 1.11 0.22 -1.13 1.79 3.38 -0.99 0.03 115.31 119.72 3hsb h LEU 26 Ca -0.44 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3hsb h LEU 26 Cb 1.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hsb h LEU 26 CO 0.56 0.09 0.00 -0.46 0.09 0.00 0.00 178.44 178.72 3hsb n ASN 27 N -4.41 1.70 0.00 -0.43 0.23 -1.26 -4.90 115.26 106.18 3hsb n ASN 27 Ca 0.17 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.50 3hsb n ASN 27 Cb 0.76 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 3hsb n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hsb n GLY 28 N 1.13 1.05 3.71 4.83 0.00 -0.00 -5.05 105.19 110.86 3hsb n GLY 28 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3hsb n GLY 28 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hsb n PHE 29 N -2.00 1.85 -4.74 1.61 -0.00 -1.26 -4.70 117.46 108.22 3hsb n PHE 29 Ca 0.00 0.43 -0.25 0.00 -0.00 0.00 0.00 57.45 57.63 3hsb n PHE 29 Cb 0.00 -2.27 -0.16 0.00 -0.00 0.00 0.00 39.48 37.05 3hsb n PHE 29 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3hsb s GLN 30 N -3.12 1.53 0.03 -4.13 -2.07 -1.26 -0.70 119.66 109.94 3hsb s GLN 30 Ca 0.78 -0.55 0.07 0.00 -1.82 0.00 0.00 55.36 53.84 3hsb s GLN 30 Cb -0.40 -1.37 -0.03 0.00 -1.09 0.00 0.00 33.01 30.12 3hsb s GLN 30 CO 0.44 0.25 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.97 3hsb s LEU 31 N -0.03 2.61 0.22 2.60 1.43 -0.12 -4.99 118.68 120.40 3hsb s LEU 31 Ca -0.01 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.78 3hsb s LEU 31 Cb -0.10 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3hsb s LEU 31 CO 0.01 0.27 -0.14 -0.13 0.23 0.00 0.00 176.35 176.59 3hsb s ARG 32 N -1.35 1.89 0.00 1.70 0.52 -1.26 -0.16 118.95 120.29 3hsb s ARG 32 Ca 0.14 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 3hsb s ARG 32 Cb -0.10 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3hsb s ARG 32 CO 0.05 0.39 0.00 0.41 0.02 0.00 0.00 175.30 176.17 3hsb n GLY 33 N -0.24 -1.71 3.26 -3.53 0.00 -0.86 -4.26 105.19 97.86 3hsb n GLY 33 Ca -0.09 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3hsb n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hsb s GLN 34 N -1.92 1.99 -0.05 1.61 -0.21 -0.62 -1.31 119.66 119.15 3hsb s GLN 34 Ca 0.00 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.24 3hsb s GLN 34 Cb 0.00 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.10 3hsb s GLN 34 CO 0.00 0.48 1.33 0.08 -2.12 0.00 0.00 175.29 175.05 3hsb s VAL 35 N -0.47 3.98 -0.45 1.09 1.01 -1.26 -0.09 120.40 124.22 3hsb s VAL 35 Ca 0.07 1.31 0.18 0.00 0.00 0.00 0.00 61.98 63.54 3hsb s VAL 35 Cb -0.10 -3.84 -0.24 0.00 0.00 0.00 0.00 36.38 32.19 3hsb s VAL 35 CO -0.00 -0.03 0.59 0.29 0.00 0.00 0.00 175.10 175.96 3hsb n LYS 36 N 5.63 0.78 0.00 2.72 4.76 0.43 -4.41 118.16 128.07 3hsb n LYS 36 Ca 0.13 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3hsb n LYS 36 Cb 0.45 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 3hsb n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hsb n GLY 37 N 1.43 0.36 3.52 0.72 0.00 -1.14 -4.99 105.19 105.09 3hsb n GLY 37 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 3hsb n GLY 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hsb s PHE 38 N -2.00 -0.44 0.00 1.61 -0.12 -1.26 -0.52 117.98 115.25 3hsb s PHE 38 Ca 0.00 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3hsb s PHE 38 Cb 0.00 0.59 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 3hsb s PHE 38 CO 0.00 -0.89 0.00 -0.40 -0.05 0.00 0.00 175.22 173.88 3hsb n ASP 39 N -0.38 0.00 0.27 1.98 5.68 -0.07 -5.00 116.55 119.03 3hsb n ASP 39 Ca -0.13 -0.23 0.11 0.00 -0.50 0.00 0.00 54.79 54.03 3hsb n ASP 39 Cb 0.63 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.34 3hsb n ASP 39 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3hsb h ASN 40 N 0.00 0.00 0.00 -1.12 2.35 -2.03 -3.30 115.58 111.47 3hsb h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hsb h ASN 40 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hsb h ASN 40 CO 0.00 0.06 -0.93 0.49 -1.65 0.00 0.00 177.43 175.39 3hsb n PHE 41 N -4.12 0.00 -4.05 1.19 3.01 -1.26 -4.93 117.46 107.30 3hsb n PHE 41 Ca -0.03 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.35 3hsb n PHE 41 Cb 0.14 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.51 3hsb n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3hsb s THR 42 N -1.87 0.23 -0.09 4.37 -4.23 -1.25 -0.10 115.64 112.71 3hsb s THR 42 Ca 0.00 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3hsb s THR 42 Cb 0.00 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.89 3hsb s THR 42 CO 0.00 -0.74 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.44 3hsb s VAL 43 N -2.72 1.81 -0.49 2.29 1.01 0.52 -0.89 120.40 121.94 3hsb s VAL 43 Ca -0.03 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3hsb s VAL 43 Cb -0.01 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.89 3hsb s VAL 43 CO -0.05 0.51 0.40 -0.22 0.00 0.00 0.00 175.10 175.73 3hsb s LEU 44 N 0.42 5.75 0.10 3.92 2.96 0.32 -0.38 118.68 131.78 3hsb s LEU 44 Ca -0.18 -1.62 -0.00 0.00 -0.22 0.00 0.00 54.13 52.11 3hsb s LEU 44 Cb -0.17 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3hsb s LEU 44 CO 0.08 -0.71 0.27 -0.22 -1.32 0.00 0.00 176.35 174.45 3hsb s LEU 45 N 1.54 4.33 -0.20 -0.68 2.96 -0.26 -0.43 118.68 125.94 3hsb s LEU 45 Ca 0.04 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3hsb s LEU 45 Cb -0.26 -3.04 0.04 0.00 0.50 0.00 0.00 46.19 43.43 3hsb s LEU 45 CO 0.03 0.11 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.34 3hsb s GLU 46 N -2.75 2.32 -0.37 1.98 2.12 0.87 -0.42 118.70 122.46 3hsb s GLU 46 Ca 0.36 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.82 3hsb s GLU 46 Cb -0.12 -2.47 0.10 0.00 0.26 0.00 0.00 34.13 31.89 3hsb s GLU 46 CO 0.28 -0.37 0.12 -1.12 -0.54 0.00 0.00 175.26 173.63 3hsb s SER 47 N 1.34 5.02 -0.66 -1.70 0.01 -0.94 -1.59 113.70 115.18 3hsb s SER 47 Ca -0.00 -2.05 -0.06 0.00 1.31 0.00 0.00 55.95 55.15 3hsb s SER 47 Cb -0.16 -1.73 0.01 0.00 0.21 0.00 0.00 66.02 64.35 3hsb s SER 47 CO -0.09 -0.45 0.66 -0.62 0.41 0.00 0.00 173.24 173.14 3hsb n GLU 48 N 4.44 -1.66 0.00 12.44 1.02 -1.26 -3.42 120.64 132.20 3hsb n GLU 48 Ca -0.00 1.56 0.00 0.00 -0.02 0.00 0.00 57.16 58.70 3hsb n GLU 48 Cb 0.42 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.73 3hsb n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hsb n GLY 49 N -1.29 1.97 3.39 0.62 0.00 -1.26 -4.90 105.19 103.72 3hsb n GLY 49 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 3hsb n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hsb s LYS 50 N 0.00 3.06 0.03 1.61 2.20 -1.22 -5.04 119.74 120.37 3hsb s LYS 50 Ca 0.00 -1.23 -0.39 0.00 -0.36 0.00 0.00 55.97 53.99 3hsb s LYS 50 Cb 0.00 -4.21 -0.19 0.00 -1.51 0.00 0.00 37.83 31.92 3hsb s LYS 50 CO 0.00 -1.39 1.13 1.04 -0.36 0.00 0.00 175.35 175.77 3hsb n GLN 51 N 6.10 0.32 -4.18 4.03 6.02 -1.26 -2.22 117.38 126.19 3hsb n GLN 51 Ca -0.09 0.11 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 3hsb n GLN 51 Cb 0.43 -1.64 -0.17 0.00 1.02 0.00 0.00 30.24 29.88 3hsb n GLN 51 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hsb s GLN 52 N 0.09 1.45 -0.39 -1.09 -0.21 0.44 -4.95 119.66 115.00 3hsb s GLN 52 Ca 0.88 -0.27 -0.19 0.00 0.02 0.00 0.00 55.36 55.80 3hsb s GLN 52 Cb -1.17 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 31.46 3hsb s GLN 52 CO 0.54 -0.14 0.54 -1.17 -2.12 0.00 0.00 175.29 172.94 3hsb s LEU 53 N 1.24 4.48 -0.15 2.90 2.96 -1.26 -1.10 118.68 127.75 3hsb s LEU 53 Ca -0.04 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3hsb s LEU 53 Cb -0.14 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3hsb s LEU 53 CO -0.03 -0.58 0.00 -0.63 -1.32 0.00 0.00 176.35 173.79 3hsb s ILE 54 N 2.47 4.28 0.10 6.68 1.01 0.48 -4.95 121.20 131.27 3hsb s ILE 54 Ca 0.19 -0.23 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 3hsb s ILE 54 Cb -0.15 -2.88 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 3hsb s ILE 54 CO 0.15 0.51 1.06 -0.31 0.00 0.00 0.00 174.94 176.35 3hsb s TYR 55 N 0.09 3.63 0.41 3.97 2.02 -1.26 -0.35 117.35 125.85 3hsb s TYR 55 Ca 0.02 1.61 0.19 0.00 -0.37 0.00 0.00 57.07 58.52 3hsb s TYR 55 Cb -0.13 -3.21 1.13 0.00 -0.40 0.00 0.00 41.96 39.35 3hsb s TYR 55 CO 0.02 -0.41 1.78 0.87 -1.57 0.00 0.00 175.55 176.24 3hsb h LYS 56 N 5.95 0.36 0.00 -0.62 1.57 -0.83 0.30 116.57 123.30 3hsb h LYS 56 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hsb h LYS 56 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3hsb h LYS 56 CO 0.75 0.24 0.00 1.12 -0.57 0.00 0.00 179.45 180.98 3hsb h HIS 57 N 0.37 0.00 -0.03 -1.35 2.07 -1.92 0.10 115.15 114.39 3hsb h HIS 57 Ca 0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.11 3hsb h HIS 57 Cb 1.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.52 3hsb h HIS 57 CO -0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 177.93 174.73 3hsb n ALA 58 N -1.96 2.75 -2.71 6.11 0.00 0.09 -4.89 120.51 119.91 3hsb n ALA 58 Ca -0.01 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 3hsb n ALA 58 Cb 0.12 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 3hsb n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsb s ILE 59 N -2.13 5.30 -0.16 0.00 1.01 0.02 -0.39 121.20 124.84 3hsb s ILE 59 Ca 0.26 0.51 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 3hsb s ILE 59 Cb 0.20 -3.58 -0.11 0.00 0.01 0.00 0.00 42.46 38.98 3hsb s ILE 59 CO 0.37 0.50 0.06 -1.28 0.00 0.00 0.00 174.94 174.59 3hsb h SER 60 N 5.76 0.00 -3.79 3.58 0.87 -0.64 -3.43 113.55 115.91 3hsb h SER 60 Ca -0.47 -0.27 -0.12 0.00 -1.23 0.00 0.00 61.79 59.70 3hsb h SER 60 Cb 1.19 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 62.91 3hsb h SER 60 CO 0.68 1.03 -0.24 -0.89 -0.53 0.00 0.00 176.83 176.88 3hsb s THR 61 N -2.22 -0.00 -0.31 2.23 2.01 -1.00 -5.02 115.64 111.34 3hsb s THR 61 Ca -0.19 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 61.72 3hsb s THR 61 Cb 0.03 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 3hsb s THR 61 CO 0.37 0.01 0.17 -0.36 -0.69 0.00 0.00 174.62 174.12 3hsb s PHE 62 N 0.39 3.19 -0.29 4.92 0.40 -1.26 -1.13 117.98 124.20 3hsb s PHE 62 Ca -0.01 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3hsb s PHE 62 Cb -0.04 -2.38 0.06 0.00 0.51 0.00 0.00 43.02 41.17 3hsb s PHE 62 CO -0.01 -0.38 -0.03 0.00 0.70 0.00 0.00 175.22 175.50 3hsb s ALA 63 N 1.67 2.75 0.38 5.36 0.00 0.12 -4.99 121.76 127.05 3hsb s ALA 63 Ca 0.06 -1.81 -0.26 0.00 0.00 0.00 0.00 51.96 49.95 3hsb s ALA 63 Cb -0.17 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 3hsb s ALA 63 CO 0.08 -1.28 1.13 -2.14 0.00 0.00 0.00 175.76 173.55 3hsb s PRO 64 N 1.20 4.19 0.32 0.00 0.02 -1.26 -1.37 135.00 138.10 3hsb s PRO 64 Ca -0.06 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.74 3hsb s PRO 64 Cb -0.20 -2.74 0.58 0.00 0.02 0.00 0.00 34.50 32.16 3hsb s PRO 64 CO -0.02 -0.18 1.95 0.37 -0.33 0.00 0.00 177.00 178.79 3hsb h GLN 65 N 2.83 0.92 -4.98 5.54 4.15 -1.94 -3.45 115.11 118.18 3hsb h GLN 65 Ca -0.48 -0.06 -0.67 0.00 0.77 0.00 0.00 58.65 58.22 3hsb h GLN 65 Cb 1.23 -0.21 -0.31 0.00 0.21 0.00 0.00 27.48 28.40 3hsb h GLN 65 CO 0.63 0.61 -0.77 0.21 -1.93 0.00 0.00 178.83 177.59 3hsb s LYS 66 N -5.82 3.09 0.51 1.69 2.47 -1.26 -5.11 119.74 115.31 3hsb s LYS 66 Ca -0.11 -0.80 -0.23 0.00 -1.56 0.00 0.00 55.97 53.27 3hsb s LYS 66 Cb 0.19 -2.89 -0.06 0.00 -1.46 0.00 0.00 37.83 33.61 3hsb s LYS 66 CO 0.79 -0.27 1.35 -0.80 0.16 0.00 0.00 175.35 176.57 3hsb s ASN 67 N 1.38 5.56 0.28 1.43 -0.87 -1.26 -5.01 114.94 116.45 3hsb s ASN 67 Ca 0.04 2.74 0.11 0.00 -1.57 0.00 0.00 52.86 54.17 3hsb s ASN 67 Cb -0.15 -2.64 -0.05 0.00 -0.02 0.00 0.00 41.25 38.40 3hsb s ASN 67 CO -0.06 -1.37 -0.12 -0.69 -2.57 0.00 0.00 177.10 172.29 3hsb s VAL 68 N -1.31 2.77 -0.28 1.60 1.01 -1.26 -5.12 120.40 117.82 3hsb s VAL 68 Ca 0.68 -2.21 -0.09 0.00 0.00 0.00 0.00 61.98 60.35 3hsb s VAL 68 Cb -0.40 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 3hsb s VAL 68 CO 0.48 -0.36 0.13 -1.58 0.00 0.00 0.00 175.10 173.77 3hsb s GLN 69 N -3.58 3.69 -0.03 2.72 -0.44 -1.26 -5.07 119.66 115.69 3hsb s GLN 69 Ca 0.31 -0.47 0.01 0.00 -2.50 0.00 0.00 55.36 52.71 3hsb s GLN 69 Cb -0.05 -3.51 0.02 0.00 -1.64 0.00 0.00 33.01 27.83 3hsb s GLN 69 CO 0.17 -0.24 -0.03 -0.51 0.50 0.00 0.00 175.29 175.18 3hsb s LEU 70 N 1.67 1.47 -0.43 3.68 1.43 -1.26 -4.91 118.68 120.33 3hsb s LEU 70 Ca 0.06 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3hsb s LEU 70 Cb -0.16 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.79 3hsb s LEU 70 CO 0.07 -0.04 0.59 -1.61 0.23 0.00 0.00 176.35 175.59 3hsb s GLU 71 N 0.64 3.24 0.00 1.70 2.02 -1.26 -5.19 118.70 119.85 3hsb s GLU 71 Ca -0.07 -0.46 0.18 0.00 0.02 0.00 0.00 54.97 54.63 3hsb s GLU 71 Cb -0.10 -3.95 0.14 0.00 0.10 0.00 0.00 34.13 30.31 3hsb s GLU 71 CO -0.01 -0.97 1.06 1.28 0.02 0.00 0.00 175.26 176.64