#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hb7 s LYS 3 N 0.00 1.56 0.12 0.00 2.47 -1.26 -4.89 119.74 117.73 3hb7 s LYS 3 Ca 0.00 -0.33 0.11 0.00 -1.56 0.00 0.00 55.97 54.19 3hb7 s LYS 3 Cb 0.00 -1.42 -0.04 0.00 -1.46 0.00 0.00 37.83 34.91 3hb7 s LYS 3 CO 0.00 -0.09 -0.26 -1.01 0.16 0.00 0.00 175.35 174.15 3hb7 s HIS 4 N 1.07 2.34 -0.10 4.03 3.76 0.02 -2.25 115.29 124.15 3hb7 s HIS 4 Ca -0.07 -0.37 0.03 0.00 -0.15 0.00 0.00 55.06 54.50 3hb7 s HIS 4 Cb -0.14 -1.28 0.01 0.00 1.11 0.00 0.00 32.58 32.27 3hb7 s HIS 4 CO -0.01 0.32 -0.21 0.00 -0.85 0.00 0.00 174.74 173.99 3hb7 s ALA 5 N -1.04 1.99 -0.25 -1.40 0.00 -0.60 -1.49 121.76 118.97 3hb7 s ALA 5 Ca 0.14 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.07 3hb7 s ALA 5 Cb -0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3hb7 s ALA 5 CO 0.06 0.16 0.39 0.42 0.00 0.00 0.00 175.76 176.79 3hb7 s ILE 6 N 0.55 5.18 -0.24 0.00 1.01 0.12 -0.40 121.20 127.41 3hb7 s ILE 6 Ca -0.15 0.62 -0.11 0.00 0.00 0.00 0.00 60.65 61.01 3hb7 s ILE 6 Cb -0.17 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3hb7 s ILE 6 CO 0.05 0.18 0.17 -0.76 0.00 0.00 0.00 174.94 174.58 3hb7 s LEU 7 N 1.89 4.12 -0.33 2.97 1.43 0.24 -0.86 118.68 128.15 3hb7 s LEU 7 Ca 0.16 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.30 3hb7 s LEU 7 Cb -0.15 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3hb7 s LEU 7 CO 0.09 0.06 0.16 -0.69 0.23 0.00 0.00 176.35 176.21 3hb7 s VAL 8 N 1.06 4.57 -0.26 -1.59 1.01 -0.01 -2.05 120.40 123.13 3hb7 s VAL 8 Ca 0.08 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3hb7 s VAL 8 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3hb7 s VAL 8 CO 0.05 -0.02 0.04 -0.63 0.00 0.00 0.00 175.10 174.54 3hb7 s ILE 9 N 1.59 3.87 0.27 2.22 1.01 -0.87 -0.84 121.20 128.45 3hb7 s ILE 9 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3hb7 s ILE 9 Cb -0.18 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.42 3hb7 s ILE 9 CO 0.06 0.26 0.00 0.47 0.00 0.00 0.00 174.94 175.73 3hb7 n ASP 10 N 4.86 -8.69 0.00 3.58 8.00 -0.71 -1.58 116.55 122.01 3hb7 n ASP 10 Ca -0.16 1.39 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3hb7 n ASP 10 Cb 0.50 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 3hb7 n ASP 10 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hb7 n LEU 12 N 1.36 0.00 0.25 0.64 4.77 -1.26 -4.69 117.00 118.08 3hb7 n LEU 12 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3hb7 n LEU 12 Cb 0.00 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.69 3hb7 n LEU 12 CO 0.00 0.00 1.02 0.78 -1.33 0.00 0.00 177.39 177.86 3hb7 h ASN 13 N 0.00 0.00 -0.02 -1.43 2.35 -1.36 -0.52 115.58 114.60 3hb7 h ASN 13 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hb7 h ASN 13 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3hb7 h ASN 13 CO 0.00 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.30 3hb7 n ASP 14 N -4.48 0.97 -0.02 5.81 8.00 -0.58 -3.74 116.55 122.52 3hb7 n ASP 14 Ca -0.03 -1.34 -0.00 0.00 0.71 0.00 0.00 54.79 54.13 3hb7 n ASP 14 Cb 0.14 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 3hb7 n ASP 14 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hb7 n PHE 15 N -0.23 0.00 -5.20 1.24 3.72 -0.31 -0.80 117.46 115.88 3hb7 n PHE 15 Ca 0.20 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.28 3hb7 n PHE 15 Cb 0.26 -0.25 -0.17 0.00 -0.94 0.00 0.00 39.48 38.39 3hb7 n PHE 15 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3hb7 s VAL 16 N -2.29 2.13 0.00 -4.37 1.01 -0.56 -1.31 120.40 115.01 3hb7 s VAL 16 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3hb7 s VAL 16 Cb 0.03 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3hb7 s VAL 16 CO 0.27 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3hb7 n GLY 17 N 3.41 2.52 0.25 4.51 0.00 -1.26 -4.59 105.19 110.02 3hb7 n GLY 17 Ca -0.19 -1.93 0.04 0.00 0.00 0.00 0.00 46.02 43.94 3hb7 n GLY 17 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hb7 h GLU 18 N 0.00 0.19 0.00 1.61 4.39 -1.96 -2.55 114.58 116.25 3hb7 h GLU 18 Ca 0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3hb7 h GLU 18 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hb7 h GLU 18 CO 0.00 0.28 -0.34 0.87 -1.16 0.00 0.00 179.01 178.66 3hb7 h LYS 19 N 0.18 0.00 -6.89 2.33 1.57 -1.92 -3.47 116.57 108.37 3hb7 h LYS 19 Ca 0.04 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.29 3hb7 h LYS 19 Cb 0.27 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.67 3hb7 h LYS 19 CO 0.01 0.34 0.78 0.00 -0.57 0.00 0.00 179.45 180.01 3hb7 s ALA 20 N -3.65 3.60 0.39 3.86 0.00 -0.96 -4.93 121.76 120.08 3hb7 s ALA 20 Ca -0.00 1.50 0.11 0.00 0.00 0.00 0.00 51.96 53.57 3hb7 s ALA 20 Cb 0.11 -3.59 0.81 0.00 0.00 0.00 0.00 23.12 20.45 3hb7 s ALA 20 CO 0.68 -0.95 1.91 -1.35 0.00 0.00 0.00 175.76 176.05 3hb7 h PRO 21 N 3.63 0.15 -1.12 0.00 0.11 -1.85 -3.27 132.00 129.65 3hb7 h PRO 21 Ca -0.49 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.02 3hb7 h PRO 21 Cb 1.23 -0.02 -0.42 0.00 0.11 0.00 0.00 31.00 31.90 3hb7 h PRO 21 CO 0.69 0.34 -0.80 1.28 -0.21 0.00 0.00 178.00 179.30 3hb7 n LEU 22 N -4.25 4.62 -4.77 2.35 4.77 0.02 -5.04 117.00 114.70 3hb7 n LEU 22 Ca -0.01 -4.89 -0.41 0.00 -0.03 0.00 0.00 56.01 50.66 3hb7 n LEU 22 Cb 0.29 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3hb7 n LEU 22 CO 0.38 2.12 1.18 -0.60 -1.33 0.00 0.00 177.39 179.14 3hb7 s ARG 23 N -3.56 4.12 -0.24 3.23 3.52 -1.24 -4.50 118.95 120.28 3hb7 s ARG 23 Ca 0.48 2.56 0.02 0.00 -0.13 0.00 0.00 55.73 58.66 3hb7 s ARG 23 Cb 0.40 -3.00 0.06 0.00 -1.56 0.00 0.00 34.95 30.85 3hb7 s ARG 23 CO -0.07 -0.56 -0.09 0.00 -0.81 0.00 0.00 175.30 173.76 3hb7 h PRO 25 N 7.85 0.58 -0.36 0.00 0.11 -1.77 0.15 132.00 138.55 3hb7 h PRO 25 Ca -0.20 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3hb7 h PRO 25 Cb 1.06 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3hb7 h PRO 25 CO 0.45 0.40 0.21 0.78 -0.21 0.00 0.00 178.00 179.63 3hb7 h GLY 26 N 0.62 0.52 1.27 -0.55 0.00 -1.86 -1.74 103.07 101.33 3hb7 h GLY 26 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3hb7 h GLY 26 CO -0.03 0.20 0.42 -1.33 0.00 0.00 0.00 176.54 175.80 3hb7 h GLY 27 N 0.55 1.04 0.95 4.60 0.00 -0.97 -1.32 103.07 107.93 3hb7 h GLY 27 Ca 0.13 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3hb7 h GLY 27 CO -0.02 0.42 0.10 0.83 0.00 0.00 0.00 176.54 177.87 3hb7 h GLU 28 N 0.99 0.68 0.00 4.80 5.08 -1.27 -3.10 114.58 121.76 3hb7 h GLU 28 Ca 0.26 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3hb7 h GLU 28 Cb -0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hb7 h GLU 28 CO -0.05 0.69 -0.31 0.00 -1.00 0.00 0.00 179.01 178.34 3hb7 h THR 29 N 0.55 0.97 -0.00 1.13 1.03 -1.11 -3.11 112.91 112.37 3hb7 h THR 29 Ca 0.13 -1.18 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 3hb7 h THR 29 Cb 0.32 1.68 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 3hb7 h THR 29 CO 0.00 0.31 -0.02 2.30 -0.01 0.00 0.00 175.52 178.10 3hb7 n ILE 30 N -3.79 0.00 -0.34 0.00 -5.35 -0.61 -4.32 119.36 104.94 3hb7 n ILE 30 Ca -0.01 -0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.43 3hb7 n ILE 30 Cb 0.40 -0.46 0.09 0.00 -1.74 0.00 0.00 39.64 37.93 3hb7 n ILE 30 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3hb7 h ILE 31 N 0.03 1.26 -0.77 7.28 2.04 -1.59 -2.06 117.51 123.70 3hb7 h ILE 31 Ca 0.00 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 3hb7 h ILE 31 Cb 0.41 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3hb7 h ILE 31 CO 0.00 0.29 0.28 -0.65 0.00 0.00 0.00 178.15 178.07 3hb7 h PRO 32 N 1.28 1.17 -0.67 2.37 0.11 -1.83 -0.20 132.00 134.23 3hb7 h PRO 32 Ca 0.33 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3hb7 h PRO 32 Cb 0.00 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 3hb7 h PRO 32 CO -0.06 0.97 0.14 -0.44 -0.21 0.00 0.00 178.00 178.40 3hb7 h ASP 33 N 1.13 1.02 -0.75 -2.05 3.32 -1.68 -1.57 116.42 115.84 3hb7 h ASP 33 Ca 0.25 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3hb7 h ASP 33 Cb 0.26 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3hb7 h ASP 33 CO -0.02 1.00 0.27 -0.07 -1.72 0.00 0.00 179.24 178.70 3hb7 h LEU 34 N 1.02 1.07 -0.95 1.55 3.38 -0.93 -1.38 115.31 119.07 3hb7 h LEU 34 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hb7 h LEU 34 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3hb7 h LEU 34 CO 0.01 0.98 0.29 1.56 0.09 0.00 0.00 178.44 181.36 3hb7 h GLN 35 N 1.12 1.05 -0.54 1.13 4.20 -0.86 0.22 115.11 121.43 3hb7 h GLN 35 Ca 0.25 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3hb7 h GLN 35 Cb 0.26 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3hb7 h GLN 35 CO -0.01 0.85 0.23 -0.22 -0.67 0.00 0.00 178.83 179.01 3hb7 h LYS 36 N 1.03 0.80 -0.68 1.46 3.64 -0.91 0.94 116.57 122.86 3hb7 h LYS 36 Ca 0.24 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3hb7 h LYS 36 Cb 0.19 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3hb7 h LYS 36 CO -0.02 0.69 0.23 0.82 -2.27 0.00 0.00 179.45 178.89 3hb7 h ILE 37 N 0.74 1.25 -0.26 2.00 1.08 -0.60 -2.01 117.51 119.72 3hb7 h ILE 37 Ca 0.18 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 3hb7 h ILE 37 Cb 0.17 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 3hb7 h ILE 37 CO -0.02 0.33 0.13 -0.26 -0.69 0.00 0.00 178.15 177.64 3hb7 h PHE 38 N 0.99 0.37 -0.80 1.37 0.05 -0.06 -1.91 116.94 116.94 3hb7 h PHE 38 Ca 0.22 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.96 3hb7 h PHE 38 Cb 0.27 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.07 3hb7 h PHE 38 CO 0.02 0.34 0.36 0.93 -0.18 0.00 0.00 178.31 179.78 3hb7 h GLU 39 N 0.28 1.17 -0.27 1.51 4.39 -0.70 -1.59 114.58 119.37 3hb7 h GLU 39 Ca 0.09 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3hb7 h GLU 39 Cb 0.11 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3hb7 h GLU 39 CO -0.01 0.92 0.07 2.35 -1.16 0.00 0.00 179.01 181.18 3hb7 h TRP 40 N 1.14 0.45 -0.37 4.33 7.01 -1.21 -0.99 115.95 126.31 3hb7 h TRP 40 Ca 0.27 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 3hb7 h TRP 40 Cb 0.16 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3hb7 h TRP 40 CO 0.02 0.50 0.13 0.28 -2.79 0.00 0.00 178.44 176.57 3hb7 h VAL 41 N 0.27 1.21 -0.58 2.65 2.07 -1.16 -2.23 116.25 118.48 3hb7 h VAL 41 Ca 0.08 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hb7 h VAL 41 Cb 0.27 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3hb7 h VAL 41 CO -0.00 0.23 0.24 0.03 0.02 0.00 0.00 177.57 178.09 3hb7 h ARG 42 N 0.45 0.83 0.00 1.57 3.08 -1.20 -1.80 114.38 117.31 3hb7 h ARG 42 Ca 0.12 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3hb7 h ARG 42 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3hb7 h ARG 42 CO -0.01 0.67 -0.18 0.78 -1.07 0.00 0.00 179.97 180.16 3hb7 h GLY 43 N 0.94 0.00 -3.47 0.04 0.00 -0.87 -3.47 103.07 96.25 3hb7 h GLY 43 Ca 0.20 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.00 3hb7 h GLY 43 CO -0.02 0.00 0.61 -1.60 0.00 0.00 0.00 176.54 175.53 3hb7 s ARG 44 N -4.08 4.02 0.07 4.80 3.52 -0.68 -4.95 118.95 121.65 3hb7 s ARG 44 Ca -0.02 2.15 -0.31 0.00 -0.13 0.00 0.00 55.73 57.43 3hb7 s ARG 44 Cb 0.13 -2.79 -0.06 0.00 -1.56 0.00 0.00 34.95 30.67 3hb7 s ARG 44 CO 0.62 -0.45 1.20 -2.00 -0.81 0.00 0.00 175.30 173.86 3hb7 s GLU 45 N -2.19 4.44 0.30 5.12 2.56 -1.26 -4.87 118.70 122.79 3hb7 s GLU 45 Ca 0.56 1.78 0.00 0.00 0.00 0.00 0.00 54.97 57.31 3hb7 s GLU 45 Cb -0.38 -3.34 0.00 0.00 2.00 0.00 0.00 34.13 32.41 3hb7 s GLU 45 CO 0.49 -0.24 0.00 0.41 -0.56 0.00 0.00 175.26 175.36 3hb7 n GLY 46 N 3.12 -2.30 0.26 -1.50 0.00 -1.26 -4.76 105.19 98.75 3hb7 n GLY 46 Ca 0.08 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.35 3hb7 n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hb7 n ASP 47 N 0.19 2.62 0.25 1.61 9.92 -1.26 -4.73 116.55 125.14 3hb7 n ASP 47 Ca 0.00 -2.76 0.09 0.00 -0.53 0.00 0.00 54.79 51.59 3hb7 n ASP 47 Cb 0.00 -0.35 0.64 0.00 -0.64 0.00 0.00 41.12 40.78 3hb7 n ASP 47 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3hb7 h ASP 48 N 0.50 0.00 -3.96 -2.24 3.32 -1.90 -3.43 116.42 108.71 3hb7 h ASP 48 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 3hb7 h ASP 48 Cb 0.96 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.20 3hb7 h ASP 48 CO 0.04 0.13 -0.82 -0.63 -1.72 0.00 0.00 179.24 176.24 3hb7 s ILE 49 N -4.51 1.21 0.04 0.35 1.01 -1.26 -0.80 121.20 117.24 3hb7 s ILE 49 Ca -0.04 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.09 3hb7 s ILE 49 Cb 0.15 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3hb7 s ILE 49 CO 0.64 0.35 -0.24 -1.00 0.00 0.00 0.00 174.94 174.69 3hb7 s HIS 50 N -0.01 2.40 -0.23 3.97 3.76 -0.55 -4.99 115.29 119.63 3hb7 s HIS 50 Ca -0.01 -0.37 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 3hb7 s HIS 50 Cb -0.09 -1.42 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 3hb7 s HIS 50 CO 0.01 0.15 0.16 -0.51 -0.85 0.00 0.00 174.74 173.70 3hb7 s LEU 51 N -1.24 4.14 -0.09 0.89 1.43 -1.26 0.12 118.68 122.66 3hb7 s LEU 51 Ca 0.12 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 3hb7 s LEU 51 Cb -0.10 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.03 3hb7 s LEU 51 CO 0.03 0.09 -0.14 -0.69 0.23 0.00 0.00 176.35 175.87 3hb7 s VAL 52 N 0.91 1.34 -0.19 -1.59 1.01 -0.03 -3.86 120.40 117.98 3hb7 s VAL 52 Ca 0.08 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3hb7 s VAL 52 Cb -0.13 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3hb7 s VAL 52 CO 0.03 0.41 0.11 -1.00 0.00 0.00 0.00 175.10 174.65 3hb7 s HIS 53 N 0.85 3.37 -0.23 5.22 0.09 -0.53 -0.83 115.29 123.24 3hb7 s HIS 53 Ca -0.10 0.26 -0.03 0.00 -0.00 0.00 0.00 55.06 55.19 3hb7 s HIS 53 Cb -0.15 -2.13 0.00 0.00 -0.00 0.00 0.00 32.58 30.30 3hb7 s HIS 53 CO 0.01 0.26 -0.05 0.42 -0.00 0.00 0.00 174.74 175.38 3hb7 s ILE 54 N 0.35 3.18 -0.10 0.60 1.09 -0.02 -0.96 121.20 125.33 3hb7 s ILE 54 Ca 0.07 -0.68 0.03 0.00 -1.10 0.00 0.00 60.65 58.97 3hb7 s ILE 54 Cb -0.11 -2.50 0.00 0.00 -1.06 0.00 0.00 42.46 38.80 3hb7 s ILE 54 CO -0.01 0.35 -0.21 0.00 -0.10 0.00 0.00 174.94 174.96 3hb7 s GLN 55 N 1.43 2.81 0.19 2.79 -2.07 -0.44 -1.73 119.66 122.63 3hb7 s GLN 55 Ca 0.04 -0.79 -0.31 0.00 -1.82 0.00 0.00 55.36 52.48 3hb7 s GLN 55 Cb -0.15 -2.18 -0.10 0.00 -1.09 0.00 0.00 33.01 29.49 3hb7 s GLN 55 CO -0.04 0.11 1.55 -2.00 -1.32 0.00 0.00 175.29 173.58 3hb7 s GLU 56 N 0.51 4.22 -0.41 9.60 2.56 -1.26 -2.06 118.70 131.86 3hb7 s GLU 56 Ca -0.15 2.37 0.07 0.00 0.00 0.00 0.00 54.97 57.25 3hb7 s GLU 56 Cb -0.17 -3.13 0.23 0.00 2.00 0.00 0.00 34.13 33.05 3hb7 s GLU 56 CO 0.06 -0.57 0.54 0.00 -0.56 0.00 0.00 175.26 174.72 3hb7 n ALA 57 N 3.49 1.80 -1.56 6.30 0.00 0.04 -4.75 120.51 125.84 3hb7 n ALA 57 Ca 0.12 -2.95 -0.34 0.00 0.00 0.00 0.00 53.44 50.28 3hb7 n ALA 57 Cb 0.39 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.98 3hb7 n ALA 57 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hb7 s HIS 58 N -0.54 2.56 0.55 0.00 3.76 -0.21 -4.26 115.29 117.15 3hb7 s HIS 58 Ca 0.34 1.55 -0.10 0.00 -0.15 0.00 0.00 55.06 56.70 3hb7 s HIS 58 Cb 0.14 -3.24 -0.05 0.00 1.11 0.00 0.00 32.58 30.54 3hb7 s HIS 58 CO -0.15 -1.79 0.94 -0.98 -0.85 0.00 0.00 174.74 171.92 3hb7 s ARG 59 N -3.88 3.66 0.40 1.40 1.70 -1.26 0.12 118.95 121.08 3hb7 s ARG 59 Ca 0.69 0.63 0.06 0.00 -0.47 0.00 0.00 55.73 56.64 3hb7 s ARG 59 Cb -0.22 -2.19 0.81 0.00 -0.57 0.00 0.00 34.95 32.78 3hb7 s ARG 59 CO 0.38 -0.39 2.04 1.57 -1.08 0.00 0.00 175.30 177.83 3hb7 h LYS 60 N 0.16 0.58 -0.87 3.89 2.10 -1.95 -0.24 116.57 120.25 3hb7 h LYS 60 Ca -0.45 -0.04 -0.50 0.00 -2.00 0.00 0.00 60.65 57.65 3hb7 h LYS 60 Cb 1.19 -0.13 -0.27 0.00 -0.90 0.00 0.00 32.23 32.12 3hb7 h LYS 60 CO 0.62 0.40 0.50 0.09 -2.00 0.00 0.00 179.45 179.06 3hb7 n ASN 61 N -4.46 4.58 -4.76 7.07 3.02 -1.26 -5.00 115.26 114.45 3hb7 n ASN 61 Ca 0.04 -3.70 -0.41 0.00 -0.03 0.00 0.00 54.58 50.47 3hb7 n ASN 61 Cb 0.07 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 38.41 3hb7 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hb7 s ASP 62 N -1.78 6.47 0.58 6.41 -1.08 -0.10 -4.86 116.67 122.31 3hb7 s ASP 62 Ca 0.56 2.88 0.35 0.00 -0.52 0.00 0.00 52.55 55.83 3hb7 s ASP 62 Cb 0.47 -2.64 1.78 0.00 -1.46 0.00 0.00 42.92 41.07 3hb7 s ASP 62 CO 0.05 -0.82 2.16 0.00 0.52 0.00 0.00 175.17 177.08 3hb7 h ALA 63 N 4.37 1.10 0.00 3.66 0.00 -1.95 -2.70 119.26 123.75 3hb7 h ALA 63 Ca -0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3hb7 h ALA 63 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3hb7 h ALA 63 CO 0.75 0.05 -0.05 -0.44 0.00 0.00 0.00 179.25 179.55 3hb7 h ASP 64 N 0.00 0.00 0.68 0.00 5.19 -1.90 -2.09 116.42 118.31 3hb7 h ASP 64 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hb7 h ASP 64 Cb 0.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3hb7 h ASP 64 CO 0.01 0.05 0.00 0.49 -3.12 0.00 0.00 179.24 176.67 3hb7 n PHE 65 N -3.47 0.73 -0.01 4.55 3.72 -1.02 -0.51 117.46 121.45 3hb7 n PHE 65 Ca -0.02 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 3hb7 n PHE 65 Cb 0.17 -0.97 0.31 0.00 -0.94 0.00 0.00 39.48 38.05 3hb7 n PHE 65 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hb7 h ARG 66 N 0.00 0.55 -0.00 -1.08 -0.00 -1.58 -3.29 114.38 108.98 3hb7 h ARG 66 Ca 0.00 -0.10 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 3hb7 h ARG 66 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.22 3hb7 h ARG 66 CO 0.00 0.54 -0.04 1.55 0.00 0.00 0.00 179.97 182.02 3hb7 n VAL 67 N -4.31 0.00 -4.28 2.04 3.14 -0.68 -5.01 118.33 109.24 3hb7 n VAL 67 Ca 0.02 -0.48 -0.21 0.00 -2.96 0.00 0.00 64.34 60.71 3hb7 n VAL 67 Cb 0.22 1.01 -0.12 0.00 -1.06 0.00 0.00 33.84 33.89 3hb7 n VAL 67 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3hb7 s ARG 68 N -0.82 1.12 0.57 1.45 1.81 0.33 -5.13 118.95 118.28 3hb7 s ARG 68 Ca 0.01 -1.25 -0.19 0.00 -1.72 0.00 0.00 55.73 52.58 3hb7 s ARG 68 Cb 0.01 -1.18 -0.05 0.00 -0.45 0.00 0.00 34.95 33.29 3hb7 s ARG 68 CO 0.04 0.25 1.19 -1.25 -0.68 0.00 0.00 175.30 174.85 3hb7 s PRO 69 N -2.41 3.14 0.20 3.54 0.04 -1.26 -4.11 135.00 134.14 3hb7 s PRO 69 Ca 0.09 1.78 -0.32 0.00 0.04 0.00 0.00 61.00 62.60 3hb7 s PRO 69 Cb -0.07 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3hb7 s PRO 69 CO 0.05 -1.06 1.67 -1.17 0.04 0.00 0.00 177.00 176.53 3hb7 s LEU 70 N -3.90 4.37 -0.02 -3.56 0.20 -1.26 -4.89 118.68 109.62 3hb7 s LEU 70 Ca 0.75 2.80 -0.26 0.00 0.69 0.00 0.00 54.13 58.11 3hb7 s LEU 70 Cb -0.29 -3.60 0.06 0.00 -0.43 0.00 0.00 46.19 41.93 3hb7 s LEU 70 CO 0.32 -0.93 0.58 -1.38 -0.29 0.00 0.00 176.35 174.65 3hb7 s HIS 71 N 1.09 -0.53 -1.53 5.38 -3.43 -1.26 -4.98 115.29 110.04 3hb7 s HIS 71 Ca 0.73 0.82 -0.12 0.00 -0.80 0.00 0.00 55.06 55.69 3hb7 s HIS 71 Cb -0.48 0.35 0.08 0.00 -1.43 0.00 0.00 32.58 31.10 3hb7 s HIS 71 CO 0.33 -0.59 0.83 0.00 -2.00 0.00 0.00 174.74 173.31 3hb7 n ALA 72 N 0.83 -1.46 -1.77 -1.38 0.00 -1.26 -4.56 120.51 110.91 3hb7 n ALA 72 Ca -0.19 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3hb7 n ALA 72 Cb 0.58 -3.55 -0.00 0.00 0.00 0.00 0.00 19.45 16.48 3hb7 n ALA 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hb7 s VAL 73 N -3.43 2.50 0.25 0.00 1.01 -1.26 -1.04 120.40 118.44 3hb7 s VAL 73 Ca 0.52 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 3hb7 s VAL 73 Cb -0.27 -3.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.73 3hb7 s VAL 73 CO 0.86 0.07 1.62 -0.75 0.00 0.00 0.00 175.10 176.90 3hb7 s LYS 74 N -2.28 4.14 0.00 2.72 2.20 0.31 -2.24 119.74 124.59 3hb7 s LYS 74 Ca 0.57 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 3hb7 s LYS 74 Cb -0.39 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3hb7 s LYS 74 CO 0.51 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 3hb7 n GLY 75 N 2.85 2.13 3.89 5.54 0.00 -1.26 -4.99 105.19 113.35 3hb7 n GLY 75 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3hb7 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hb7 s THR 76 N -2.44 2.82 0.28 2.61 -4.23 -0.95 -4.98 115.64 108.76 3hb7 s THR 76 Ca 0.00 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 3hb7 s THR 76 Cb 0.00 -3.26 0.17 0.00 1.34 0.00 0.00 72.50 70.76 3hb7 s THR 76 CO 0.00 -0.33 1.85 -0.25 -0.54 0.00 0.00 174.62 175.35 3hb7 h TRP 77 N -0.80 0.89 -0.34 3.99 2.91 -1.96 -2.66 115.95 117.98 3hb7 h TRP 77 Ca -0.45 -0.06 0.01 0.00 1.13 0.00 0.00 58.89 59.51 3hb7 h TRP 77 Cb 1.29 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 29.65 3hb7 h TRP 77 CO 0.41 0.70 0.23 0.78 -1.03 0.00 0.00 178.44 179.53 3hb7 h GLY 78 N 0.98 0.47 0.99 2.65 0.00 -1.92 -2.42 103.07 103.83 3hb7 h GLY 78 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hb7 h GLY 78 CO -0.01 0.17 -0.62 -1.26 0.00 0.00 0.00 176.54 174.81 3hb7 n SER 79 N -4.49 0.58 -4.77 0.19 2.88 -1.02 -1.52 113.62 105.48 3hb7 n SER 79 Ca 0.02 -0.12 -0.35 0.00 -1.33 0.00 0.00 58.87 57.09 3hb7 n SER 79 Cb 0.07 0.30 0.01 0.00 -0.75 0.00 0.00 64.21 63.84 3hb7 n SER 79 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hb7 s ASP 80 N -3.55 5.64 0.41 -3.46 2.15 -0.91 -4.76 116.67 112.19 3hb7 s ASP 80 Ca 0.08 2.18 -0.26 0.00 0.43 0.00 0.00 52.55 54.99 3hb7 s ASP 80 Cb 0.16 -2.58 -0.09 0.00 -0.30 0.00 0.00 42.92 40.11 3hb7 s ASP 80 CO 0.72 -1.27 1.29 -0.36 -0.17 0.00 0.00 175.17 175.38 3hb7 s PHE 81 N -1.80 2.82 0.53 -5.34 0.08 -1.26 -2.21 117.98 110.81 3hb7 s PHE 81 Ca 0.73 1.42 -0.21 0.00 0.12 0.00 0.00 56.93 58.99 3hb7 s PHE 81 Cb -0.24 -3.65 -0.06 0.00 -0.57 0.00 0.00 43.02 38.50 3hb7 s PHE 81 CO 0.28 -2.05 1.18 0.96 -0.10 0.00 0.00 175.22 175.50 3hb7 s ILE 82 N -1.28 2.91 0.33 0.64 -4.36 -1.26 -4.80 121.20 113.38 3hb7 s ILE 82 Ca 0.57 0.62 0.02 0.00 -0.26 0.00 0.00 60.65 61.60 3hb7 s ILE 82 Cb -0.37 -3.28 0.20 0.00 1.25 0.00 0.00 42.46 40.26 3hb7 s ILE 82 CO 0.48 -0.08 1.92 1.55 0.24 0.00 0.00 174.94 179.05 3hb7 h PRO 83 N 1.43 0.72 0.00 0.37 0.13 -1.98 -1.71 132.00 130.95 3hb7 h PRO 83 Ca -0.50 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 3hb7 h PRO 83 Cb 1.27 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hb7 h PRO 83 CO 0.58 0.60 -0.07 0.93 -0.23 0.00 0.00 178.00 179.80 3hb7 h GLU 84 N 0.71 0.00 -0.18 0.86 3.07 -2.01 -2.76 114.58 114.26 3hb7 h GLU 84 Ca 0.17 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.88 3hb7 h GLU 84 Cb 0.15 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.91 3hb7 h GLU 84 CO -0.02 0.07 -0.65 1.28 -1.40 0.00 0.00 179.01 178.30 3hb7 n LEU 85 N -3.58 3.00 -4.77 1.33 4.77 -0.67 -4.86 117.00 112.23 3hb7 n LEU 85 Ca -0.02 -3.88 -0.39 0.00 -0.03 0.00 0.00 56.01 51.69 3hb7 n LEU 85 Cb 0.19 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3hb7 n LEU 85 CO 0.28 1.46 0.85 -0.47 -1.33 0.00 0.00 177.39 178.19 3hb7 s TYR 86 N -3.02 3.23 0.30 -1.77 6.14 -1.04 -4.78 117.35 116.40 3hb7 s TYR 86 Ca 0.40 1.57 -0.29 0.00 0.64 0.00 0.00 57.07 59.39 3hb7 s TYR 86 Cb 0.38 -3.42 -0.10 0.00 0.42 0.00 0.00 41.96 39.24 3hb7 s TYR 86 CO -0.05 -1.18 1.29 -2.14 0.64 0.00 0.00 175.55 174.11 3hb7 s PRO 87 N -1.92 4.39 0.64 4.97 0.02 -1.26 -5.05 135.00 136.79 3hb7 s PRO 87 Ca 0.51 2.14 -0.01 0.00 0.02 0.00 0.00 61.00 63.66 3hb7 s PRO 87 Cb -0.33 -3.11 0.08 0.00 0.02 0.00 0.00 34.50 31.16 3hb7 s PRO 87 CO 0.42 -0.16 0.90 -0.65 -0.33 0.00 0.00 177.00 177.18 3hb7 s GLN 88 N -1.35 2.13 0.18 5.54 -0.21 -1.26 -5.02 119.66 119.67 3hb7 s GLN 88 Ca 0.50 -0.84 -0.13 0.00 0.02 0.00 0.00 55.36 54.91 3hb7 s GLN 88 Cb -0.38 -2.38 0.09 0.00 1.00 0.00 0.00 33.01 31.34 3hb7 s GLN 88 CO 0.48 -1.09 1.82 0.93 -2.12 0.00 0.00 175.29 175.31 3hb7 h GLU 89 N -0.27 0.65 -1.03 2.91 5.08 -2.04 -2.36 114.58 117.50 3hb7 h GLU 89 Ca -0.40 -0.04 -0.62 0.00 -1.00 0.00 0.00 59.36 57.30 3hb7 h GLU 89 Cb 1.29 -0.15 -0.36 0.00 0.50 0.00 0.00 28.75 30.03 3hb7 h GLU 89 CO 0.48 0.43 -0.02 -0.25 -1.00 0.00 0.00 179.01 178.65 3hb7 n ASP 90 N -4.76 6.16 -4.47 1.42 8.00 -1.26 -4.91 116.55 116.73 3hb7 n ASP 90 Ca 0.04 -3.77 -0.35 0.00 0.71 0.00 0.00 54.79 51.41 3hb7 n ASP 90 Cb 0.06 -0.65 -0.12 0.00 -0.02 0.00 0.00 41.12 40.38 3hb7 n ASP 90 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3hb7 s GLU 91 N -3.72 3.68 0.43 -1.24 2.02 -0.89 -5.04 118.70 113.94 3hb7 s GLU 91 Ca 0.56 -0.48 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 3hb7 s GLU 91 Cb 0.45 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 3hb7 s GLU 91 CO -0.04 -0.03 1.31 -0.47 0.02 0.00 0.00 175.26 176.05 3hb7 s TYR 92 N 1.15 2.72 -0.06 1.61 5.04 -1.25 -4.85 117.35 121.71 3hb7 s TYR 92 Ca 0.04 1.40 0.06 0.00 -2.44 0.00 0.00 57.07 56.12 3hb7 s TYR 92 Cb -0.14 -3.69 -0.01 0.00 0.35 0.00 0.00 41.96 38.47 3hb7 s TYR 92 CO 0.02 -2.23 -0.24 0.42 -1.34 0.00 0.00 175.55 172.18 3hb7 s ILE 93 N -1.28 1.97 -0.13 3.14 1.01 -1.26 -1.45 121.20 123.20 3hb7 s ILE 93 Ca 0.59 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3hb7 s ILE 93 Cb -0.38 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3hb7 s ILE 93 CO 0.48 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 175.07 3hb7 s VAL 94 N -0.09 2.14 -0.17 2.92 1.01 -0.14 -4.97 120.40 121.11 3hb7 s VAL 94 Ca -0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 3hb7 s VAL 94 Cb -0.14 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 3hb7 s VAL 94 CO 0.04 0.55 0.08 -1.10 0.00 0.00 0.00 175.10 174.67 3hb7 s GLN 95 N 0.68 3.83 0.09 2.72 -0.21 -1.26 -1.33 119.66 124.19 3hb7 s GLN 95 Ca -0.10 -0.29 0.03 0.00 0.02 0.00 0.00 55.36 55.03 3hb7 s GLN 95 Cb -0.16 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 3hb7 s GLN 95 CO 0.01 0.41 -0.10 -1.59 -2.12 0.00 0.00 175.29 171.91 3hb7 s LYS 96 N 0.00 0.82 0.00 2.91 -2.85 -0.87 -4.88 119.74 114.87 3hb7 s LYS 96 Ca 0.07 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 3hb7 s LYS 96 Cb -0.12 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.17 3hb7 s LYS 96 CO 0.00 0.07 0.55 0.54 0.10 0.00 0.00 175.35 176.61 3hb7 n ARG 97 N 0.55 -0.50 -4.39 1.78 1.74 -1.26 -0.78 116.66 113.81 3hb7 n ARG 97 Ca -0.16 -0.61 -0.21 0.00 -0.77 0.00 0.00 57.85 56.10 3hb7 n ARG 97 Cb 0.58 -0.99 -0.09 0.00 -1.02 0.00 0.00 32.46 30.94 3hb7 n ARG 97 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hb7 s ARG 98 N -0.12 1.69 0.11 5.56 1.81 -1.26 -4.89 118.95 121.85 3hb7 s ARG 98 Ca 0.00 -1.98 -0.19 0.00 -1.72 0.00 0.00 55.73 51.84 3hb7 s ARG 98 Cb 0.00 -0.30 -0.06 0.00 -0.45 0.00 0.00 34.95 34.14 3hb7 s ARG 98 CO 0.00 -0.44 1.70 0.45 -0.68 0.00 0.00 175.30 176.33 3hb7 h HIS 99 N 2.09 0.35 -3.91 -0.53 3.86 -1.95 -3.43 115.15 111.64 3hb7 h HIS 99 Ca -0.34 -0.01 -0.48 0.00 -1.16 0.00 0.00 60.37 58.37 3hb7 h HIS 99 Cb 1.25 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.62 3hb7 h HIS 99 CO 1.13 0.32 0.41 0.45 0.86 0.00 0.00 177.93 181.10 3hb7 s SER 100 N -5.57 6.99 0.57 2.45 0.15 -1.26 -4.56 113.70 112.47 3hb7 s SER 100 Ca -0.13 2.04 0.32 0.00 0.70 0.00 0.00 55.95 58.87 3hb7 s SER 100 Cb 0.08 -2.59 1.75 0.00 -1.71 0.00 0.00 66.02 63.55 3hb7 s SER 100 CO 0.71 -0.33 2.19 1.23 1.20 0.00 0.00 173.24 178.24 3hb7 h GLY 101 N 2.92 0.00 1.15 9.45 0.00 -1.83 -2.91 103.07 111.85 3hb7 h GLY 101 Ca -0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3hb7 h GLY 101 CO 0.64 0.00 -0.90 0.74 0.00 0.00 0.00 176.54 177.02 3hb7 h PHE 102 N 0.00 0.00 -3.32 5.60 0.04 -1.91 -3.42 116.94 113.94 3hb7 h PHE 102 Ca -0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3hb7 h PHE 102 Cb 0.17 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 3hb7 h PHE 102 CO 0.00 0.07 0.93 0.00 -0.60 0.00 0.00 178.31 178.71 3hb7 s ALA 103 N -3.29 3.34 -1.43 2.45 0.00 -1.10 -3.30 121.76 118.43 3hb7 s ALA 103 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 3hb7 s ALA 103 Cb 0.09 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3hb7 s ALA 103 CO 0.78 -1.83 0.10 0.72 0.00 0.00 0.00 175.76 175.53 3hb7 n HIS 104 N 7.53 -0.98 -4.68 0.00 8.25 -1.26 -4.69 115.22 119.39 3hb7 n HIS 104 Ca 0.13 0.09 -0.31 0.00 -0.26 0.00 0.00 57.72 57.37 3hb7 n HIS 104 Cb 0.47 -3.53 -0.07 0.00 1.12 0.00 0.00 29.99 27.98 3hb7 n HIS 104 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hb7 s THR 105 N -2.90 0.85 -0.30 1.59 -4.23 -1.21 -4.98 115.64 104.46 3hb7 s THR 105 Ca 0.05 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.71 3hb7 s THR 105 Cb -0.02 -2.14 0.70 0.00 1.34 0.00 0.00 72.50 72.38 3hb7 s THR 105 CO 0.06 0.00 1.62 -0.90 -0.54 0.00 0.00 174.62 174.86 3hb7 n ASP 106 N -1.35 4.97 -0.16 3.99 3.85 -1.26 -4.65 116.55 121.94 3hb7 n ASP 106 Ca -0.15 -2.91 -0.08 0.00 -0.71 0.00 0.00 54.79 50.94 3hb7 n ASP 106 Cb 0.66 -0.62 0.01 0.00 -1.35 0.00 0.00 41.12 39.82 3hb7 n ASP 106 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3hb7 h LEU 107 N 3.20 0.57 -0.68 -2.12 5.85 -1.88 -0.90 115.31 119.36 3hb7 h LEU 107 Ca 0.00 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hb7 h LEU 107 Cb 1.73 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 3hb7 h LEU 107 CO 0.37 0.49 0.38 -0.78 -0.34 0.00 0.00 178.44 178.56 3hb7 h ASP 108 N 0.61 0.84 -0.72 1.25 3.58 -1.90 -0.68 116.42 119.40 3hb7 h ASP 108 Ca 0.16 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 3hb7 h ASP 108 Cb 0.04 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 3hb7 h ASP 108 CO -0.03 0.69 0.36 0.25 -2.88 0.00 0.00 179.24 177.63 3hb7 h LEU 109 N 0.93 0.93 -0.53 2.28 5.85 -1.82 0.25 115.31 123.20 3hb7 h LEU 109 Ca 0.24 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hb7 h LEU 109 Cb 0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3hb7 h LEU 109 CO -0.04 0.79 0.27 0.22 -0.34 0.00 0.00 178.44 179.34 3hb7 h TYR 110 N 1.00 0.76 -0.86 1.25 3.20 -0.48 -1.14 116.97 120.70 3hb7 h TYR 110 Ca 0.25 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3hb7 h TYR 110 Cb 0.10 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3hb7 h TYR 110 CO 0.00 0.58 0.44 -0.07 -1.64 0.00 0.00 178.16 177.48 3hb7 h LEU 111 N 0.71 1.09 -0.75 2.82 4.07 -0.68 -1.88 115.31 120.70 3hb7 h LEU 111 Ca 0.18 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 3hb7 h LEU 111 Cb 0.10 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 3hb7 h LEU 111 CO -0.03 0.90 0.19 0.11 -1.08 0.00 0.00 178.44 178.53 3hb7 h LYS 112 N 1.21 1.14 -0.71 1.13 1.57 -0.69 -2.13 116.57 118.07 3hb7 h LYS 112 Ca 0.30 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3hb7 h LYS 112 Cb 0.07 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3hb7 h LYS 112 CO -0.04 0.99 0.23 0.93 -0.57 0.00 0.00 179.45 180.99 3hb7 h GLU 113 N 1.08 1.09 -0.01 3.15 5.08 -0.74 -2.83 114.58 121.41 3hb7 h GLU 113 Ca 0.23 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hb7 h GLU 113 Cb 0.35 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hb7 h GLU 113 CO -0.00 0.92 -0.06 0.39 -1.00 0.00 0.00 179.01 179.26 3hb7 n GLU 114 N -4.26 1.44 -3.38 2.33 -0.58 -0.75 -4.95 120.64 110.50 3hb7 n GLU 114 Ca 0.06 -0.83 -0.18 0.00 -0.42 0.00 0.00 57.16 55.78 3hb7 n GLU 114 Cb 0.22 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.68 3hb7 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hb7 n GLY 115 N 1.22 -0.33 3.73 0.62 0.00 -1.07 -5.01 105.19 104.34 3hb7 n GLY 115 Ca 0.17 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 3hb7 n GLY 115 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hb7 s ILE 116 N -3.31 5.29 -0.29 -0.61 1.01 -0.82 -4.68 121.20 117.80 3hb7 s ILE 116 Ca 0.26 0.60 0.22 0.00 0.00 0.00 0.00 60.65 61.72 3hb7 s ILE 116 Cb -0.11 -3.65 -0.31 0.00 0.01 0.00 0.00 42.46 38.40 3hb7 s ILE 116 CO 0.65 0.38 0.60 -0.90 0.00 0.00 0.00 174.94 175.67 3hb7 n ASP 117 N 3.59 0.27 -3.99 3.58 5.75 -0.95 -4.78 116.55 120.02 3hb7 n ASP 117 Ca -0.11 -0.26 -0.21 0.00 -0.01 0.00 0.00 54.79 54.20 3hb7 n ASP 117 Cb 0.52 1.72 -0.16 0.00 -1.03 0.00 0.00 41.12 42.17 3hb7 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hb7 s THR 118 N -3.38 0.80 -0.11 2.12 2.01 -1.18 -1.37 115.64 114.53 3hb7 s THR 118 Ca -0.04 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 3hb7 s THR 118 Cb 0.14 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3hb7 s THR 118 CO 0.90 0.26 -0.06 0.68 -0.69 0.00 0.00 174.62 175.71 3hb7 s VAL 119 N 0.37 3.78 -0.16 3.82 -7.23 0.11 -1.56 120.40 119.53 3hb7 s VAL 119 Ca -0.06 -0.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.69 3hb7 s VAL 119 Cb -0.11 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.25 3hb7 s VAL 119 CO 0.01 0.55 -0.17 0.54 -0.31 0.00 0.00 175.10 175.72 3hb7 s VAL 120 N -0.28 2.42 -0.13 1.32 0.11 0.46 -1.48 120.40 122.82 3hb7 s VAL 120 Ca 0.04 -0.84 -0.14 0.00 -2.93 0.00 0.00 61.98 58.11 3hb7 s VAL 120 Cb -0.13 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.66 3hb7 s VAL 120 CO 0.02 0.52 0.33 -0.76 -3.33 0.00 0.00 175.10 171.89 3hb7 s LEU 121 N 0.99 4.29 0.13 2.54 1.02 0.54 -0.59 118.68 127.61 3hb7 s LEU 121 Ca -0.02 0.62 -0.00 0.00 0.02 0.00 0.00 54.13 54.75 3hb7 s LEU 121 Cb -0.15 -2.44 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 3hb7 s LEU 121 CO -0.04 0.13 0.02 0.42 0.02 0.00 0.00 176.35 176.91 3hb7 s THR 122 N 0.18 0.29 0.00 5.49 -4.23 -0.87 -1.82 115.64 114.67 3hb7 s THR 122 Ca 0.19 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 3hb7 s THR 122 Cb -0.14 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3hb7 s THR 122 CO 0.06 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 3hb7 n GLY 123 N -0.10 -0.56 3.11 3.99 0.00 0.51 -2.06 105.19 110.09 3hb7 n GLY 123 Ca -0.07 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 3hb7 n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hb7 s VAL 124 N 0.00 0.16 0.38 1.61 1.01 -0.61 -2.40 120.40 120.55 3hb7 s VAL 124 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 3hb7 s VAL 124 Cb 0.00 -1.14 -0.09 0.00 0.00 0.00 0.00 36.38 35.15 3hb7 s VAL 124 CO 0.00 -0.74 1.02 0.26 0.00 0.00 0.00 175.10 175.64 3hb7 s TRP 125 N -3.19 3.39 0.17 5.22 0.52 -1.26 -4.45 118.94 119.34 3hb7 s TRP 125 Ca 0.00 1.68 -0.14 0.00 0.02 0.00 0.00 56.10 57.66 3hb7 s TRP 125 Cb 0.02 -3.06 0.08 0.00 -1.15 0.00 0.00 33.47 29.36 3hb7 s TRP 125 CO -0.07 -0.38 1.82 1.15 0.02 0.00 0.00 176.95 179.49 3hb7 h THR 126 N 2.31 1.09 -0.01 2.01 2.02 -1.65 -1.77 112.91 116.91 3hb7 h THR 126 Ca -0.48 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3hb7 h THR 126 Cb 1.21 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hb7 h THR 126 CO 0.63 0.12 -0.07 -0.46 0.37 0.00 0.00 175.52 176.11 3hb7 n ASN 127 N -4.77 1.00 0.00 4.18 2.04 -1.26 -2.59 115.26 113.87 3hb7 n ASN 127 Ca 0.03 -1.15 0.00 0.00 -0.44 0.00 0.00 54.58 53.03 3hb7 n ASN 127 Cb 0.05 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.31 3hb7 n ASN 127 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 3hb7 n VAL 128 N -0.36 0.00 -0.19 3.53 0.31 -0.73 -4.67 118.33 116.22 3hb7 n VAL 128 Ca 0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.43 3hb7 n VAL 128 Cb 0.30 -0.05 0.06 0.00 -0.91 0.00 0.00 33.84 33.24 3hb7 n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hb7 h VAL 130 N 0.93 1.23 -0.47 0.00 2.07 -1.58 -1.43 116.25 117.00 3hb7 h VAL 130 Ca 0.17 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3hb7 h VAL 130 Cb 0.53 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3hb7 h VAL 130 CO 0.03 0.28 0.22 -0.09 0.02 0.00 0.00 177.57 178.02 3hb7 h ARG 131 N 0.51 0.68 -0.67 1.57 9.65 -1.32 -1.51 114.38 123.28 3hb7 h ARG 131 Ca 0.12 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.82 3hb7 h ARG 131 Cb 0.33 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 3hb7 h ARG 131 CO 0.00 0.59 0.12 0.77 2.80 0.00 0.00 179.97 184.24 3hb7 h SER 132 N 0.61 1.05 -0.58 -3.80 0.02 -0.98 -2.45 113.55 107.42 3hb7 h SER 132 Ca 0.16 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 3hb7 h SER 132 Cb 0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 3hb7 h SER 132 CO -0.02 1.04 0.14 0.74 -1.14 0.00 0.00 176.83 177.59 3hb7 h THR 133 N 1.03 1.25 -0.41 -2.27 2.02 -1.00 -2.47 112.91 111.05 3hb7 h THR 133 Ca 0.21 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 3hb7 h THR 133 Cb 0.43 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3hb7 h THR 133 CO 0.01 0.34 0.08 0.00 0.37 0.00 0.00 175.52 176.33 3hb7 h ALA 134 N 1.22 0.54 -0.53 6.16 0.00 -1.01 -1.44 119.26 124.20 3hb7 h ALA 134 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hb7 h ALA 134 Cb 0.35 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hb7 h ALA 134 CO 0.00 0.24 0.27 1.15 0.00 0.00 0.00 179.25 180.91 3hb7 h THR 135 N 0.52 1.19 -0.40 0.00 2.02 -1.32 -1.70 112.91 113.24 3hb7 h THR 135 Ca 0.13 -0.53 -0.07 0.00 0.77 0.00 0.00 66.41 66.70 3hb7 h THR 135 Cb 0.34 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3hb7 h THR 135 CO 0.00 0.21 -0.06 0.44 0.37 0.00 0.00 175.52 176.49 3hb7 h ASP 136 N 0.71 0.64 -0.54 4.18 5.19 -1.37 -1.75 116.42 123.50 3hb7 h ASP 136 Ca 0.18 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 3hb7 h ASP 136 Cb 0.10 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 3hb7 h ASP 136 CO -0.03 0.75 0.25 0.00 -3.12 0.00 0.00 179.24 177.09 3hb7 h ALA 137 N 1.32 0.70 -0.44 3.45 0.00 -0.86 -1.36 119.26 122.06 3hb7 h ALA 137 Ca 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hb7 h ALA 137 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hb7 h ALA 137 CO 0.02 0.28 0.22 -0.07 0.00 0.00 0.00 179.25 179.70 3hb7 h LEU 138 N 0.73 0.57 -2.24 0.00 3.38 -1.15 -1.47 115.31 115.13 3hb7 h LEU 138 Ca 0.18 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3hb7 h LEU 138 Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hb7 h LEU 138 CO -0.02 0.53 -0.05 0.00 0.09 0.00 0.00 178.44 178.99 3hb7 h ALA 139 N 1.06 1.20 -0.62 1.53 0.00 -1.05 0.27 119.26 121.65 3hb7 h ALA 139 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hb7 h ALA 139 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hb7 h ALA 139 CO -0.02 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3hb7 n ASN 140 N -3.44 4.04 -0.75 0.00 3.02 -0.54 -4.94 115.26 112.65 3hb7 n ASN 140 Ca -0.02 -2.24 -0.08 0.00 -0.03 0.00 0.00 54.58 52.21 3hb7 n ASN 140 Cb 0.18 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 3hb7 n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hb7 n ALA 141 N 1.19 -0.18 -2.49 5.41 0.00 0.08 -5.03 120.51 119.50 3hb7 n ALA 141 Ca 0.23 0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3hb7 n ALA 141 Cb 0.72 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 3hb7 n ALA 141 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hb7 s TYR 142 N -2.34 3.60 0.45 0.00 2.02 -0.81 -5.02 117.35 115.24 3hb7 s TYR 142 Ca 0.00 0.90 -0.23 0.00 -0.37 0.00 0.00 57.07 57.37 3hb7 s TYR 142 Cb 0.00 -2.24 -0.08 0.00 -0.40 0.00 0.00 41.96 39.24 3hb7 s TYR 142 CO 0.00 0.49 1.11 0.15 -1.57 0.00 0.00 175.55 175.73 3hb7 s LYS 143 N -1.89 3.85 -0.07 -0.62 1.02 -0.47 -4.21 119.74 117.34 3hb7 s LYS 143 Ca 0.34 1.64 0.03 0.00 0.02 0.00 0.00 55.97 58.00 3hb7 s LYS 143 Cb -0.14 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 3hb7 s LYS 143 CO 0.18 -0.44 -0.16 0.08 -0.92 0.00 0.00 175.35 174.08 3hb7 s VAL 144 N -1.65 1.45 -0.04 3.17 1.01 -1.26 -0.72 120.40 122.37 3hb7 s VAL 144 Ca 0.63 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3hb7 s VAL 144 Cb -0.25 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3hb7 s VAL 144 CO 0.30 0.42 -0.24 -0.63 0.00 0.00 0.00 175.10 174.96 3hb7 s ILE 145 N 0.45 1.91 -0.09 2.22 1.01 -0.55 -1.21 121.20 124.94 3hb7 s ILE 145 Ca -0.14 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.54 3hb7 s ILE 145 Cb -0.16 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3hb7 s ILE 145 CO 0.05 0.54 -0.21 -0.89 0.00 0.00 0.00 174.94 174.42 3hb7 s THR 146 N -0.31 2.35 -0.38 2.92 2.01 -0.29 -0.34 115.64 121.60 3hb7 s THR 146 Ca 0.02 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.91 3hb7 s THR 146 Cb -0.12 -1.91 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3hb7 s THR 146 CO 0.02 0.56 0.51 -0.76 -0.69 0.00 0.00 174.62 174.25 3hb7 s LEU 147 N 0.17 4.50 0.26 4.42 1.43 -0.76 -4.28 118.68 124.42 3hb7 s LEU 147 Ca -0.12 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3hb7 s LEU 147 Cb -0.16 -2.54 0.32 0.00 0.03 0.00 0.00 46.19 43.84 3hb7 s LEU 147 CO 0.07 -0.55 1.85 0.77 0.23 0.00 0.00 176.35 178.71 3hb7 h SER 148 N 8.60 0.94 -0.60 2.29 4.64 -1.89 -1.21 113.55 126.33 3hb7 h SER 148 Ca -0.27 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3hb7 h SER 148 Cb 1.12 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3hb7 h SER 148 CO 0.79 0.82 0.00 -0.90 -0.87 0.00 0.00 176.83 176.68 3hb7 n ASP 149 N -4.31 4.91 -0.37 4.97 5.75 -1.26 -3.99 116.55 122.24 3hb7 n ASP 149 Ca 0.07 -2.59 0.04 0.00 -0.01 0.00 0.00 54.79 52.30 3hb7 n ASP 149 Cb 0.16 -0.59 0.08 0.00 -1.03 0.00 0.00 41.12 39.73 3hb7 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hb7 n GLY 150 N 0.89 1.62 3.24 6.12 0.00 -0.48 -4.84 105.19 111.73 3hb7 n GLY 150 Ca 0.26 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3hb7 n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hb7 s THR 151 N -0.86 1.12 0.20 2.61 -4.23 -1.06 -0.36 115.64 113.05 3hb7 s THR 151 Ca 0.13 -1.99 -0.22 0.00 -1.18 0.00 0.00 61.69 58.42 3hb7 s THR 151 Cb 0.07 -1.77 0.05 0.00 1.34 0.00 0.00 72.50 72.19 3hb7 s THR 151 CO 0.10 -0.72 0.65 0.00 -0.54 0.00 0.00 174.62 174.10 3hb7 s ALA 152 N -3.21 -1.47 0.29 3.99 0.00 -1.01 -4.91 121.76 115.44 3hb7 s ALA 152 Ca 0.15 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.36 3hb7 s ALA 152 Cb 0.02 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 3hb7 s ALA 152 CO 0.00 -0.87 0.18 0.45 0.00 0.00 0.00 175.76 175.53 3hb7 n SER 153 N -0.41 0.08 -0.25 0.00 2.88 -1.26 -2.06 113.62 112.60 3hb7 n SER 153 Ca -0.12 -2.74 -0.07 0.00 -1.33 0.00 0.00 58.87 54.61 3hb7 n SER 153 Cb 0.63 1.15 0.04 0.00 -0.75 0.00 0.00 64.21 65.28 3hb7 n SER 153 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3hb7 h LYS 154 N 0.00 1.00 -5.55 -1.46 3.64 -1.92 -3.37 116.57 108.91 3hb7 h LYS 154 Ca -0.21 -0.17 -0.44 0.00 -1.27 0.00 0.00 60.65 58.55 3hb7 h LYS 154 Cb 0.96 -0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.46 3hb7 h LYS 154 CO 0.32 0.82 -0.74 0.95 -2.27 0.00 0.00 179.45 178.53 3hb7 s THR 155 N -5.60 1.67 0.29 1.00 -4.23 -1.26 -4.41 115.64 103.10 3hb7 s THR 155 Ca -0.13 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.24 3hb7 s THR 155 Cb 0.14 -1.97 0.18 0.00 1.34 0.00 0.00 72.50 72.20 3hb7 s THR 155 CO 0.81 -0.56 1.87 -0.33 -0.54 0.00 0.00 174.62 175.86 3hb7 h GLU 156 N 2.73 0.88 -1.04 3.99 5.08 -2.02 -2.07 114.58 122.13 3hb7 h GLU 156 Ca -0.38 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3hb7 h GLU 156 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hb7 h GLU 156 CO 0.60 0.73 0.00 -1.91 -1.00 0.00 0.00 179.01 177.43 3hb7 n GLU 157 N -4.31 0.13 0.00 2.33 2.13 -1.26 -1.98 120.64 117.68 3hb7 n GLU 157 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 3hb7 n GLU 157 Cb 0.17 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.63 3hb7 n GLU 157 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 3hb7 n HIS 159 N 0.69 0.00 -0.07 4.31 -0.00 -0.78 -2.38 115.22 117.00 3hb7 n HIS 159 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3hb7 n HIS 159 Cb 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.00 3hb7 n HIS 159 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 3hb7 h GLU 160 N 0.00 0.35 0.00 1.57 4.81 -1.68 -0.69 114.58 118.94 3hb7 h GLU 160 Ca 0.00 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3hb7 h GLU 160 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3hb7 h GLU 160 CO 0.00 0.45 -0.19 0.10 -0.73 0.00 0.00 179.01 178.64 3hb7 h TYR 161 N 0.18 0.00 -0.43 0.92 -0.00 -1.75 -1.02 116.97 114.87 3hb7 h TYR 161 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.77 3hb7 h TYR 161 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.96 3hb7 h TYR 161 CO 0.01 0.19 0.13 0.78 -0.00 0.00 0.00 178.16 179.27 3hb7 h GLY 162 N 1.67 0.71 1.56 0.10 0.00 -1.73 -2.65 103.07 102.74 3hb7 h GLY 162 Ca -0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3hb7 h GLY 162 CO 0.02 0.40 0.05 1.41 0.00 0.00 0.00 176.54 178.42 3hb7 h LEU 163 N 0.55 0.51 -0.03 3.11 3.38 -0.56 -1.84 115.31 120.42 3hb7 h LEU 163 Ca 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hb7 h LEU 163 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hb7 h LEU 163 CO -0.00 0.55 0.02 -1.13 0.09 0.00 0.00 178.44 177.96 3hb7 h ASN 164 N 0.54 0.04 -0.62 -0.43 -0.73 -1.00 0.75 115.58 114.12 3hb7 h ASN 164 Ca 0.12 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 3hb7 h ASN 164 Cb 0.27 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 3hb7 h ASN 164 CO 0.00 0.04 0.22 0.44 -0.37 0.00 0.00 177.43 177.76 3hb7 h ASP 165 N 0.03 0.89 -0.49 1.15 3.32 -1.35 -3.00 116.42 116.97 3hb7 h ASP 165 Ca 0.01 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3hb7 h ASP 165 Cb 0.01 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3hb7 h ASP 165 CO -0.00 0.84 0.23 -0.07 -1.72 0.00 0.00 179.24 178.52 3hb7 h LEU 166 N 0.88 0.68 -2.00 1.55 3.38 -0.96 -2.68 115.31 116.17 3hb7 h LEU 166 Ca 0.20 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hb7 h LEU 166 Cb 0.26 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hb7 h LEU 166 CO -0.01 0.60 -0.10 0.77 0.09 0.00 0.00 178.44 179.79 3hb7 h SER 167 N 0.75 0.00 -0.47 -0.43 4.64 -0.71 0.76 113.55 118.08 3hb7 h SER 167 Ca 0.18 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 3hb7 h SER 167 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3hb7 h SER 167 CO -0.02 0.10 0.14 0.40 -0.87 0.00 0.00 176.83 176.58 3hb7 h ILE 168 N 0.00 1.23 -0.13 0.95 2.04 -1.50 -3.33 117.51 116.77 3hb7 h ILE 168 Ca -0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3hb7 h ILE 168 Cb 0.24 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3hb7 h ILE 168 CO 0.01 0.28 0.00 2.22 0.00 0.00 0.00 178.15 180.66 3hb7 n PHE 169 N -4.52 0.17 -4.01 1.37 1.16 -1.00 -5.04 117.46 105.60 3hb7 n PHE 169 Ca 0.01 -0.50 -0.11 0.00 -1.87 0.00 0.00 57.45 54.99 3hb7 n PHE 169 Cb 0.20 -0.04 -0.11 0.00 -1.61 0.00 0.00 39.48 37.91 3hb7 n PHE 169 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 3hb7 s THR 170 N -1.00 0.27 -0.28 1.97 2.01 0.23 -4.80 115.64 114.04 3hb7 s THR 170 Ca 0.09 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.93 3hb7 s THR 170 Cb 0.04 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.18 3hb7 s THR 170 CO 0.06 -0.42 0.85 -0.75 -0.69 0.00 0.00 174.62 173.67 3hb7 s LYS 171 N -1.40 4.07 0.02 4.92 2.20 -0.35 -4.34 119.74 124.87 3hb7 s LYS 171 Ca -0.13 0.81 0.01 0.00 -0.36 0.00 0.00 55.97 56.30 3hb7 s LYS 171 Cb -0.09 -3.69 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3hb7 s LYS 171 CO -0.00 -0.64 0.08 0.08 -0.36 0.00 0.00 175.35 174.50 3hb7 s VAL 172 N 3.00 4.65 0.36 4.02 1.01 -1.26 -1.14 120.40 131.04 3hb7 s VAL 172 Ca 0.35 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3hb7 s VAL 172 Cb -0.14 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3hb7 s VAL 172 CO 0.11 0.28 0.41 0.42 0.00 0.00 0.00 175.10 176.32 3hb7 s THR 174 N -1.25 3.53 0.20 3.92 -4.23 -1.26 -4.95 115.64 111.60 3hb7 s THR 174 Ca 0.25 -1.17 -0.10 0.00 -1.18 0.00 0.00 61.69 59.49 3hb7 s THR 174 Cb -0.12 -3.21 0.14 0.00 1.34 0.00 0.00 72.50 70.65 3hb7 s THR 174 CO 0.16 -0.12 1.81 0.58 -0.54 0.00 0.00 174.62 176.52 3hb7 h VAL 175 N 1.00 1.23 -0.67 2.29 2.07 -1.92 -2.31 116.25 117.94 3hb7 h VAL 175 Ca -0.44 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 66.42 3hb7 h VAL 175 Cb 1.26 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3hb7 h VAL 175 CO 0.54 0.26 0.14 0.44 0.02 0.00 0.00 177.57 178.97 3hb7 h ASP 176 N 1.03 1.03 -0.83 0.57 3.32 -1.98 -2.18 116.42 117.37 3hb7 h ASP 176 Ca 0.26 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3hb7 h ASP 176 Cb 0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 3hb7 h ASP 176 CO -0.04 1.01 0.37 1.56 -1.72 0.00 0.00 179.24 180.42 3hb7 h GLN 177 N 1.01 1.21 -0.15 3.56 4.20 -1.93 0.37 115.11 123.37 3hb7 h GLN 177 Ca 0.21 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3hb7 h GLN 177 Cb 0.39 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3hb7 h GLN 177 CO 0.01 0.95 0.05 -0.92 -0.67 0.00 0.00 178.83 178.25 3hb7 h TYR 178 N 1.19 0.24 -0.48 2.96 3.20 -1.25 0.13 116.97 122.97 3hb7 h TYR 178 Ca 0.28 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3hb7 h TYR 178 Cb 0.16 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3hb7 h TYR 178 CO 0.02 0.34 0.19 0.82 -1.64 0.00 0.00 178.16 177.89 3hb7 h ILE 179 N 0.08 1.21 -0.24 1.81 2.04 -1.09 -2.56 117.51 118.76 3hb7 h ILE 179 Ca 0.05 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3hb7 h ILE 179 Cb 0.20 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3hb7 h ILE 179 CO -0.00 0.24 0.07 1.56 0.00 0.00 0.00 178.15 180.02 3hb7 h GLN 180 N 0.63 0.33 0.00 2.37 4.20 -0.02 -1.22 115.11 121.41 3hb7 h GLN 180 Ca 0.16 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3hb7 h GLN 180 Cb 0.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hb7 h GLN 180 CO -0.01 0.31 -0.30 0.00 -0.67 0.00 0.00 178.83 178.16 3hb7 h ALA 181 N 1.75 1.19 0.09 3.87 0.00 -0.33 -3.14 119.26 122.70 3hb7 h ALA 181 Ca 0.08 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3hb7 h ALA 181 Cb 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hb7 h ALA 181 CO -0.01 0.37 -0.61 -1.49 0.00 0.00 0.00 179.25 177.52 3hb7 h TRP 182 N 0.00 0.36 -0.01 0.00 4.06 -1.04 -3.51 115.95 115.81 3hb7 h TRP 182 Ca -0.00 -0.26 0.00 0.00 2.06 0.00 0.00 58.89 60.68 3hb7 h TRP 182 Cb 0.66 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.81 3hb7 h TRP 182 CO 0.00 1.23 0.00 0.39 -3.56 0.00 0.00 178.44 176.50