#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsb h ILE 6 N 0.00 1.20 -0.15 -1.44 2.04 -2.00 -2.34 117.51 114.81 3hsb h ILE 6 Ca 0.00 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3hsb h ILE 6 Cb 0.00 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3hsb h ILE 6 CO 0.00 0.21 0.05 -0.61 0.00 0.00 0.00 178.15 177.80 3hsb h GLN 7 N 0.78 0.24 -0.58 2.37 4.15 -2.01 -1.23 115.11 118.82 3hsb h GLN 7 Ca 0.20 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.49 3hsb h GLN 7 Cb 0.07 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 3hsb h GLN 7 CO -0.03 0.36 0.06 -0.44 -1.93 0.00 0.00 178.83 176.85 3hsb h ASP 8 N 0.07 0.95 -0.05 -0.69 3.45 -1.98 -0.93 116.42 117.24 3hsb h ASP 8 Ca 0.05 -0.28 0.03 0.00 0.43 0.00 0.00 57.03 57.26 3hsb h ASP 8 Cb 0.22 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.70 3hsb h ASP 8 CO -0.00 0.99 -0.16 1.56 -1.57 0.00 0.00 179.24 180.05 3hsb h GLN 9 N 0.88 -0.24 -0.02 3.56 4.20 -1.28 -1.19 115.11 121.03 3hsb h GLN 9 Ca 0.17 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.93 3hsb h GLN 9 Cb 0.46 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 3hsb h GLN 9 CO 0.02 -0.16 -0.17 0.35 -0.67 0.00 0.00 178.83 178.20 3hsb h PHE 10 N -0.25 -0.45 -0.35 2.96 3.57 -1.13 0.12 116.94 121.42 3hsb h PHE 10 Ca 0.07 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 3hsb h PHE 10 Cb 0.34 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3hsb h PHE 10 CO -0.24 -0.25 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.29 3hsb h LEU 11 N -0.27 0.70 -0.31 0.59 3.38 -1.20 -1.26 115.31 116.94 3hsb h LEU 11 Ca 0.06 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.58 3hsb h LEU 11 Cb 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hsb h LEU 11 CO -0.18 0.92 -0.71 -1.13 0.09 0.00 0.00 178.44 177.43 3hsb h ASN 12 N 0.60 0.73 -0.72 -0.43 -1.24 -1.01 -0.66 115.58 112.86 3hsb h ASN 12 Ca 0.08 -0.46 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 3hsb h ASN 12 Cb 0.72 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 3hsb h ASN 12 CO 0.06 1.23 0.35 -0.61 -1.29 0.00 0.00 177.43 177.16 3hsb h GLN 13 N 0.44 1.03 0.00 6.67 4.15 -0.42 0.72 115.11 127.71 3hsb h GLN 13 Ca -0.03 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 3hsb h GLN 13 Cb 1.30 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 3hsb h GLN 13 CO 0.14 0.80 -0.60 -0.84 -1.93 0.00 0.00 178.83 176.40 3hsb h ILE 14 N 1.00 1.24 -0.05 2.39 3.07 -1.16 -0.94 117.51 123.07 3hsb h ILE 14 Ca 0.25 -2.21 -0.01 0.00 1.55 0.00 0.00 64.86 64.44 3hsb h ILE 14 Cb 0.11 2.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.91 3hsb h ILE 14 CO -0.03 0.59 0.01 -0.09 -1.05 0.00 0.00 178.15 177.57 3hsb h ARG 15 N 0.00 0.08 -0.83 0.16 2.43 -0.96 -1.14 114.38 114.12 3hsb h ARG 15 Ca -0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3hsb h ARG 15 Cb 1.21 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 3hsb h ARG 15 CO 0.08 0.33 0.46 0.87 -1.51 0.00 0.00 179.97 180.19 3hsb h LYS 16 N -0.18 1.14 -0.04 0.20 1.79 -0.56 -2.80 116.57 116.13 3hsb h LYS 16 Ca 0.01 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3hsb h LYS 16 Cb 0.29 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 3hsb h LYS 16 CO 0.00 0.83 0.00 0.39 -1.08 0.00 0.00 179.45 179.59 3hsb n GLU 17 N -4.35 1.62 -4.13 3.15 -0.58 -0.38 -4.95 120.64 111.01 3hsb n GLU 17 Ca 0.09 -0.90 -0.34 0.00 -0.42 0.00 0.00 57.16 55.58 3hsb n GLU 17 Cb 0.09 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 3hsb n GLU 17 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hsb n ASN 18 N 0.10 -3.59 -4.73 1.62 5.03 -0.83 -4.92 115.26 107.94 3hsb n ASN 18 Ca 0.19 -0.95 -0.42 0.00 0.87 0.00 0.00 54.58 54.27 3hsb n ASN 18 Cb 0.33 -3.08 -0.03 0.00 -1.02 0.00 0.00 39.78 35.98 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 -3.32 3.20 0.35 3.41 2.01 -0.49 -4.98 115.64 115.81 3hsb s THR 19 Ca 0.69 0.94 -0.27 0.00 0.31 0.00 0.00 61.69 63.35 3hsb s THR 19 Cb -0.37 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.45 3hsb s THR 19 CO 0.90 0.12 1.19 -0.31 -0.69 0.00 0.00 174.62 175.82 3hsb s TYR 20 N 0.47 3.21 0.00 4.92 1.51 -1.26 -4.43 117.35 121.77 3hsb s TYR 20 Ca 0.60 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 58.23 3hsb s TYR 20 Cb -0.37 -3.44 -0.01 0.00 -0.11 0.00 0.00 41.96 38.03 3hsb s TYR 20 CO 0.36 -1.24 -0.05 0.54 -1.11 0.00 0.00 175.55 174.04 3hsb s VAL 21 N -1.27 0.40 -0.12 0.71 0.11 0.98 -1.22 120.40 119.99 3hsb s VAL 21 Ca 0.51 -0.36 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 3hsb s VAL 21 Cb -0.33 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3hsb s VAL 21 CO 0.43 0.02 0.56 -0.89 -3.33 0.00 0.00 175.10 171.89 3hsb s THR 22 N -0.34 5.13 -0.26 5.04 2.01 -0.64 -0.75 115.64 125.82 3hsb s THR 22 Ca -0.00 1.12 -0.07 0.00 0.31 0.00 0.00 61.69 63.04 3hsb s THR 22 Cb -0.03 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3hsb s THR 22 CO -0.00 0.27 0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 3hsb s VAL 23 N 0.88 4.13 -0.21 3.82 1.01 0.52 -0.76 120.40 129.80 3hsb s VAL 23 Ca 0.29 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 3hsb s VAL 23 Cb -0.16 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 3hsb s VAL 23 CO 0.12 0.26 0.33 -0.36 0.00 0.00 0.00 175.10 175.46 3hsb s PHE 24 N 1.57 3.37 0.62 5.22 0.08 -0.11 -0.73 117.98 128.00 3hsb s PHE 24 Ca 0.05 0.52 -0.05 0.00 0.12 0.00 0.00 56.93 57.58 3hsb s PHE 24 Cb -0.16 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 3hsb s PHE 24 CO 0.03 0.03 0.92 -0.51 -0.10 0.00 0.00 175.22 175.58 3hsb s LEU 25 N 1.18 3.08 0.47 -0.37 1.43 0.45 -0.46 118.68 124.46 3hsb s LEU 25 Ca 0.16 0.47 0.12 0.00 -1.03 0.00 0.00 54.13 53.86 3hsb s LEU 25 Cb -0.14 -3.24 1.07 0.00 0.03 0.00 0.00 46.19 43.91 3hsb s LEU 25 CO 0.07 -1.28 2.09 -0.07 0.23 0.00 0.00 176.35 177.38 3hsb h LEU 26 N -0.29 0.17 -0.26 1.79 3.38 -1.14 -0.87 115.31 118.09 3hsb h LEU 26 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hsb h LEU 26 Cb 1.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hsb h LEU 26 CO 0.59 0.16 0.00 -0.46 0.09 0.00 0.00 178.44 178.82 3hsb n ASN 27 N -4.48 0.38 0.00 -0.43 6.94 -1.26 -4.93 115.26 111.48 3hsb n ASN 27 Ca -0.01 -1.77 0.00 0.00 -0.02 0.00 0.00 54.58 52.78 3hsb n ASN 27 Cb 0.11 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3hsb n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hsb n GLY 28 N 0.73 1.82 3.75 4.83 0.00 -0.33 -5.02 105.19 110.96 3hsb n GLY 28 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3hsb n GLY 28 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hsb s PHE 29 N -3.35 2.38 -0.05 1.61 2.19 -1.26 -4.71 117.98 114.79 3hsb s PHE 29 Ca 0.00 1.58 0.01 0.00 0.33 0.00 0.00 56.93 58.86 3hsb s PHE 29 Cb 0.00 -3.26 0.02 0.00 -1.31 0.00 0.00 43.02 38.47 3hsb s PHE 29 CO 0.00 -2.05 -0.07 -1.14 1.83 0.00 0.00 175.22 173.79 3hsb s GLN 30 N -4.14 1.05 0.09 10.12 0.74 -1.26 -0.41 119.66 125.86 3hsb s GLN 30 Ca 0.69 -0.20 0.08 0.00 0.05 0.00 0.00 55.36 55.98 3hsb s GLN 30 Cb -0.23 -0.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.87 3hsb s GLN 30 CO 0.45 -0.04 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.50 3hsb s LEU 31 N 0.79 2.85 -0.01 3.68 1.43 0.09 -4.95 118.68 122.54 3hsb s LEU 31 Ca -0.12 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3hsb s LEU 31 Cb -0.14 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 3hsb s LEU 31 CO 0.01 0.20 -0.11 -0.13 0.23 0.00 0.00 176.35 176.55 3hsb s ARG 32 N -2.02 0.90 0.00 1.70 1.81 -1.26 -0.36 118.95 119.72 3hsb s ARG 32 Ca 0.19 -0.37 0.00 0.00 -1.72 0.00 0.00 55.73 53.82 3hsb s ARG 32 Cb -0.11 -0.86 0.00 0.00 -0.45 0.00 0.00 34.95 33.53 3hsb s ARG 32 CO 0.11 0.21 0.00 0.41 -0.68 0.00 0.00 175.30 175.35 3hsb n GLY 33 N 2.90 -0.64 3.12 -3.53 0.00 0.07 -4.61 105.19 102.50 3hsb n GLY 33 Ca -0.14 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.51 1.11 -0.12 1.61 -0.21 -0.58 -0.01 119.66 120.95 3hsb s GLN 34 Ca 0.00 -0.56 -0.25 0.00 0.02 0.00 0.00 55.36 54.56 3hsb s GLN 34 Cb 0.00 -1.08 -0.02 0.00 1.00 0.00 0.00 33.01 32.90 3hsb s GLN 34 CO 0.00 0.29 0.80 0.08 -2.12 0.00 0.00 175.29 174.34 3hsb s VAL 35 N -0.44 4.94 -0.17 1.09 1.01 -1.26 -1.04 120.40 124.52 3hsb s VAL 35 Ca 0.05 1.61 0.19 0.00 0.00 0.00 0.00 61.98 63.82 3hsb s VAL 35 Cb -0.06 -4.12 -0.27 0.00 0.00 0.00 0.00 36.38 31.93 3hsb s VAL 35 CO -0.00 0.12 0.47 0.29 0.00 0.00 0.00 175.10 175.98 3hsb n LYS 36 N 4.58 0.65 -3.59 2.72 4.76 0.13 -4.38 118.16 123.03 3hsb n LYS 36 Ca 0.03 -0.14 0.01 0.00 -2.87 0.00 0.00 58.31 55.34 3hsb n LYS 36 Cb 0.50 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.26 3hsb n LYS 36 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hsb s GLY 37 N -3.89 -0.40 0.23 0.72 0.00 -1.19 -4.98 107.32 97.81 3hsb s GLY 37 Ca -0.04 1.20 -0.22 0.00 0.00 0.00 0.00 44.72 45.66 3hsb s GLY 37 CO 0.77 0.30 0.67 -0.11 0.00 0.00 0.00 173.10 174.73 3hsb s PHE 38 N -2.11 -0.35 0.00 1.90 -0.12 -1.26 -0.41 117.98 115.63 3hsb s PHE 38 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 3hsb s PHE 38 Cb 0.05 0.64 0.00 0.00 -0.63 0.00 0.00 43.02 43.08 3hsb s PHE 38 CO -0.05 -1.06 0.00 -0.40 -0.05 0.00 0.00 175.22 173.66 3hsb n ASP 39 N -0.42 0.00 -0.10 1.98 5.68 -0.80 -5.00 116.55 117.89 3hsb n ASP 39 Ca -0.10 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.21 3hsb n ASP 39 Cb 0.62 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.94 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 0.65 0.00 -1.12 -0.26 -2.04 -3.32 115.58 109.49 3hsb h ASN 40 Ca 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3hsb h ASN 40 Cb 0.00 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 3hsb h ASN 40 CO 0.00 0.48 -1.39 0.49 -1.06 0.00 0.00 177.43 175.95 3hsb n PHE 41 N -4.44 0.00 -4.22 1.19 3.01 -1.26 -4.96 117.46 106.78 3hsb n PHE 41 Ca 0.05 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 3hsb n PHE 41 Cb 0.06 -0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 39.21 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 -2.67 0.51 -0.05 4.37 -4.23 -1.25 -0.63 115.64 111.69 3hsb s THR 42 Ca -0.03 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 3hsb s THR 42 Cb 0.07 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.79 3hsb s THR 42 CO 0.44 -0.44 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.29 3hsb s VAL 43 N -3.77 0.92 -0.45 2.29 1.01 -0.12 -1.90 120.40 118.38 3hsb s VAL 43 Ca 0.25 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3hsb s VAL 43 Cb 0.07 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.63 3hsb s VAL 43 CO 0.04 0.30 0.47 -0.22 0.00 0.00 0.00 175.10 175.70 3hsb s LEU 44 N 0.70 5.05 -0.13 3.92 2.96 0.45 -0.78 118.68 130.85 3hsb s LEU 44 Ca -0.13 -0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 52.87 3hsb s LEU 44 Cb -0.15 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 3hsb s LEU 44 CO 0.02 -0.67 0.04 -0.22 -1.32 0.00 0.00 176.35 174.21 3hsb s LEU 45 N 2.15 3.76 -0.20 -0.68 2.96 0.43 0.18 118.68 127.28 3hsb s LEU 45 Ca 0.11 0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 54.09 3hsb s LEU 45 Cb -0.19 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3hsb s LEU 45 CO 0.12 0.30 0.08 -0.70 -1.32 0.00 0.00 176.35 174.83 3hsb s GLU 46 N -0.40 3.96 -0.20 1.98 2.12 -0.21 0.94 118.70 126.89 3hsb s GLU 46 Ca 0.09 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.09 3hsb s GLU 46 Cb -0.12 -3.30 0.03 0.00 0.26 0.00 0.00 34.13 31.00 3hsb s GLU 46 CO 0.02 0.17 -0.18 -1.12 -0.54 0.00 0.00 175.26 173.61 3hsb s SER 47 N 0.67 3.44 -1.24 -1.70 0.01 -0.25 -1.52 113.70 113.11 3hsb s SER 47 Ca 0.04 -0.83 -0.23 0.00 1.31 0.00 0.00 55.95 56.25 3hsb s SER 47 Cb -0.13 -1.49 0.02 0.00 0.21 0.00 0.00 66.02 64.62 3hsb s SER 47 CO 0.02 -0.05 0.64 -0.62 0.41 0.00 0.00 173.24 173.64 3hsb n GLU 48 N 4.58 -1.04 -0.11 12.44 1.02 -1.26 -0.64 120.64 135.62 3hsb n GLU 48 Ca -0.19 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3hsb n GLU 48 Cb 0.48 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 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 -1.97 0.86 3.69 0.62 0.00 -1.26 -4.99 105.19 102.15 3hsb n GLY 49 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3hsb n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsb s LYS 50 N -0.12 4.32 0.18 1.61 1.02 0.19 -5.04 119.74 121.90 3hsb s LYS 50 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.34 3hsb s LYS 50 Cb 0.00 -3.50 -0.08 0.00 -0.52 0.00 0.00 37.83 33.73 3hsb s LYS 50 CO 0.00 -0.04 1.14 -0.65 -0.92 0.00 0.00 175.35 174.88 3hsb s GLN 51 N 1.22 4.56 -0.06 1.68 -0.21 -1.26 -1.09 119.66 124.50 3hsb s GLN 51 Ca 0.31 1.78 0.01 0.00 0.02 0.00 0.00 55.36 57.48 3hsb s GLN 51 Cb -0.16 -3.26 0.02 0.00 1.00 0.00 0.00 33.01 30.61 3hsb s GLN 51 CO 0.13 0.02 -0.07 -0.65 -2.12 0.00 0.00 175.29 172.59 3hsb s GLN 52 N -0.36 1.14 -0.33 2.91 -0.21 0.27 -4.96 119.66 118.12 3hsb s GLN 52 Ca 0.50 -0.20 -0.18 0.00 0.02 0.00 0.00 55.36 55.50 3hsb s GLN 52 Cb -0.31 -1.07 -0.01 0.00 1.00 0.00 0.00 33.01 32.63 3hsb s GLN 52 CO 0.36 -0.06 0.52 -1.17 -2.12 0.00 0.00 175.29 172.81 3hsb s LEU 53 N 0.91 4.25 -0.12 2.90 2.96 -1.26 -0.43 118.68 127.90 3hsb s LEU 53 Ca -0.11 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3hsb s LEU 53 Cb -0.15 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 3hsb s LEU 53 CO 0.01 -0.43 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.88 3hsb s ILE 54 N 2.39 3.44 0.06 6.68 1.01 0.04 -4.96 121.20 129.85 3hsb s ILE 54 Ca 0.20 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 3hsb s ILE 54 Cb -0.15 -2.45 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 3hsb s ILE 54 CO 0.12 0.53 1.23 -0.31 0.00 0.00 0.00 174.94 176.51 3hsb s TYR 55 N 0.04 3.38 0.47 3.97 2.02 -1.26 -0.95 117.35 125.03 3hsb s TYR 55 Ca -0.03 1.24 0.19 0.00 -0.37 0.00 0.00 57.07 58.11 3hsb s TYR 55 Cb -0.14 -3.46 1.19 0.00 -0.40 0.00 0.00 41.96 39.16 3hsb s TYR 55 CO 0.04 -1.44 1.97 0.87 -1.57 0.00 0.00 175.55 175.42 3hsb h LYS 56 N 6.87 0.22 0.00 -0.62 1.57 -1.20 -0.56 116.57 122.86 3hsb h LYS 56 Ca -0.41 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3hsb h LYS 56 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hsb h LYS 56 CO 0.82 0.15 0.00 1.12 -0.57 0.00 0.00 179.45 180.97 3hsb h HIS 57 N 0.23 0.00 -0.11 -1.35 2.07 -1.92 -0.93 115.15 113.14 3hsb h HIS 57 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 3hsb h HIS 57 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.79 3hsb h HIS 57 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3hsb n ALA 58 N -1.89 2.45 -2.83 6.11 0.00 -0.22 -4.91 120.51 119.22 3hsb n ALA 58 Ca -0.02 -0.75 -0.35 0.00 0.00 0.00 0.00 53.44 52.32 3hsb n ALA 58 Cb 0.07 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.83 5.38 -0.25 0.00 1.01 -0.36 -0.62 121.20 124.53 3hsb s ILE 59 Ca 0.29 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3hsb s ILE 59 Cb 0.20 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 39.03 3hsb s ILE 59 CO 0.29 0.40 -0.31 -0.24 0.00 0.00 0.00 174.94 175.08 3hsb n SER 60 N 1.23 1.84 -3.69 3.58 2.88 0.39 -4.68 113.62 115.17 3hsb n SER 60 Ca -0.13 0.25 -0.14 0.00 -1.33 0.00 0.00 58.87 57.52 3hsb n SER 60 Cb 0.53 -0.70 -0.08 0.00 -0.75 0.00 0.00 64.21 63.21 3hsb n SER 60 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3hsb s THR 61 N -2.47 0.03 -0.10 2.46 2.01 -1.02 -4.99 115.64 111.56 3hsb s THR 61 Ca -0.35 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3hsb s THR 61 Cb 0.13 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 3hsb s THR 61 CO 0.46 -0.13 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.78 3hsb s PHE 62 N -0.89 2.82 -0.29 4.92 0.40 -1.26 -0.93 117.98 122.74 3hsb s PHE 62 Ca -0.10 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.85 3hsb s PHE 62 Cb -0.03 -1.78 0.08 0.00 0.51 0.00 0.00 43.02 41.80 3hsb s PHE 62 CO 0.05 -0.02 0.03 0.00 0.70 0.00 0.00 175.22 175.98 3hsb s ALA 63 N -0.10 2.03 0.51 5.36 0.00 0.06 -4.99 121.76 124.62 3hsb s ALA 63 Ca -0.01 -1.75 -0.20 0.00 0.00 0.00 0.00 51.96 49.99 3hsb s ALA 63 Cb -0.14 -1.63 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 3hsb s ALA 63 CO 0.03 -1.49 1.08 -1.25 0.00 0.00 0.00 175.76 174.14 3hsb s PRO 64 N 1.36 3.62 0.23 0.00 0.04 -1.26 -1.62 135.00 137.36 3hsb s PRO 64 Ca 0.04 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 3hsb s PRO 64 Cb -0.18 -2.09 0.39 0.00 0.04 0.00 0.00 34.50 32.66 3hsb s PRO 64 CO -0.13 -0.60 1.74 0.37 0.04 0.00 0.00 177.00 178.41 3hsb h GLN 65 N 1.46 0.44 -6.00 4.56 4.15 -1.53 -3.44 115.11 114.75 3hsb h GLN 65 Ca -0.50 -0.03 -0.53 0.00 0.77 0.00 0.00 58.65 58.37 3hsb h GLN 65 Cb 1.24 -0.10 -0.21 0.00 0.21 0.00 0.00 27.48 28.62 3hsb h GLN 65 CO 0.58 0.29 -0.82 0.15 -1.93 0.00 0.00 178.83 177.11 3hsb s LYS 66 N -6.05 1.07 0.37 1.69 -0.14 -1.26 -5.10 119.74 110.32 3hsb s LYS 66 Ca -0.13 -1.14 -0.25 0.00 -1.36 0.00 0.00 55.97 53.10 3hsb s LYS 66 Cb 0.19 -1.28 -0.09 0.00 -1.68 0.00 0.00 37.83 34.97 3hsb s LYS 66 CO 0.76 0.29 1.03 -0.80 -0.76 0.00 0.00 175.35 175.87 3hsb s ASN 67 N -1.91 6.96 0.08 2.83 0.01 -1.26 -5.01 114.94 116.63 3hsb s ASN 67 Ca 0.05 2.01 -0.23 0.00 -0.71 0.00 0.00 52.86 53.98 3hsb s ASN 67 Cb -0.10 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 38.91 3hsb s ASN 67 CO 0.04 -0.35 0.71 -0.69 -1.51 0.00 0.00 177.10 175.30 3hsb s VAL 68 N -1.60 4.65 -0.20 1.60 1.01 -1.26 -5.07 120.40 119.52 3hsb s VAL 68 Ca 0.55 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 3hsb s VAL 68 Cb -0.22 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3hsb s VAL 68 CO 0.28 0.45 0.64 -1.10 0.00 0.00 0.00 175.10 175.37 3hsb s GLN 69 N -0.58 4.21 0.10 2.72 -0.21 -1.26 -5.07 119.66 119.56 3hsb s GLN 69 Ca 0.35 0.63 0.09 0.00 0.02 0.00 0.00 55.36 56.45 3hsb s GLN 69 Cb -0.21 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 3hsb s GLN 69 CO 0.22 -0.26 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.40 3hsb s LEU 70 N 1.98 2.29 0.00 2.90 1.43 -1.26 -5.00 118.68 121.02 3hsb s LEU 70 Ca 0.29 -0.68 0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3hsb s LEU 70 Cb -0.16 -1.00 0.09 0.00 0.03 0.00 0.00 46.19 45.15 3hsb s LEU 70 CO 0.10 0.11 0.84 1.21 0.23 0.00 0.00 176.35 178.84