#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 1.25 0.04 0.00 2.20 -1.26 -4.90 119.74 117.07 3hb7 s LYS 3 Ca 0.00 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.17 3hb7 s LYS 3 Cb 0.00 -1.18 -0.02 0.00 -1.51 0.00 0.00 37.83 35.12 3hb7 s LYS 3 CO 0.00 0.28 -0.20 -1.01 -0.36 0.00 0.00 175.35 174.06 3hb7 s HIS 4 N -0.22 1.71 -0.07 4.03 3.76 -0.29 -1.90 115.29 122.31 3hb7 s HIS 4 Ca 0.03 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 54.62 3hb7 s HIS 4 Cb -0.07 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 3hb7 s HIS 4 CO -0.00 0.08 -0.22 0.00 -0.85 0.00 0.00 174.74 173.75 3hb7 s ALA 5 N -0.81 2.28 -0.22 -1.40 0.00 -0.26 -0.92 121.76 120.42 3hb7 s ALA 5 Ca 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3hb7 s ALA 5 Cb -0.09 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3hb7 s ALA 5 CO 0.02 0.39 -0.01 0.42 0.00 0.00 0.00 175.76 176.58 3hb7 s ILE 6 N -0.09 3.70 -0.25 0.00 1.01 -0.19 -0.66 121.20 124.71 3hb7 s ILE 6 Ca -0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3hb7 s ILE 6 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 3hb7 s ILE 6 CO 0.04 0.41 0.21 -0.76 0.00 0.00 0.00 174.94 174.84 3hb7 s LEU 7 N 1.39 4.08 -0.32 2.97 1.43 -0.32 -1.33 118.68 126.57 3hb7 s LEU 7 Ca 0.05 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.18 3hb7 s LEU 7 Cb -0.15 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.92 3hb7 s LEU 7 CO -0.00 -0.01 0.13 -0.69 0.23 0.00 0.00 176.35 176.01 3hb7 s VAL 8 N 1.41 4.22 -0.33 -1.59 1.01 -0.07 -1.90 120.40 123.15 3hb7 s VAL 8 Ca 0.09 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3hb7 s VAL 8 Cb -0.15 -3.24 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3hb7 s VAL 8 CO 0.07 -0.02 0.11 -0.63 0.00 0.00 0.00 175.10 174.63 3hb7 s ILE 9 N 1.53 3.99 0.30 2.22 1.01 -0.38 -0.83 121.20 129.03 3hb7 s ILE 9 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3hb7 s ILE 9 Cb -0.18 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3hb7 s ILE 9 CO 0.04 -0.08 0.00 0.47 0.00 0.00 0.00 174.94 175.37 3hb7 n ASP 10 N 4.86 -8.94 0.00 3.58 8.00 -0.17 -2.38 116.55 121.51 3hb7 n ASP 10 Ca -0.13 1.30 0.00 0.00 0.71 0.00 0.00 54.79 56.66 3hb7 n ASP 10 Cb 0.46 -4.81 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 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 0.99 0.00 -0.17 0.64 4.77 -1.26 -4.81 117.00 117.16 3hb7 n LEU 12 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3hb7 n LEU 12 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 3hb7 n LEU 12 CO 0.00 0.00 1.07 0.78 -1.33 0.00 0.00 177.39 177.91 3hb7 h ASN 13 N 0.00 0.82 -0.28 -1.43 2.35 -0.92 -0.13 115.58 115.98 3hb7 h ASN 13 Ca 0.00 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 3hb7 h ASN 13 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3hb7 h ASN 13 CO 0.00 0.72 -0.05 0.44 -1.65 0.00 0.00 177.43 176.90 3hb7 h ASP 14 N 0.89 0.61 0.00 5.81 3.32 -1.63 -3.35 116.42 122.08 3hb7 h ASP 14 Ca 0.21 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3hb7 h ASP 14 Cb 0.15 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hb7 h ASP 14 CO -0.02 0.72 -1.80 0.49 -1.72 0.00 0.00 179.24 176.90 3hb7 n PHE 15 N -4.22 0.00 -4.52 4.55 3.72 -0.77 -1.06 117.46 115.16 3hb7 n PHE 15 Ca 0.02 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 3hb7 n PHE 15 Cb 0.30 -0.43 -0.13 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.06 3.64 0.00 -4.37 1.01 -0.13 0.36 120.40 117.84 3hb7 s VAL 16 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3hb7 s VAL 16 Cb 0.10 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.90 3hb7 s VAL 16 CO 0.69 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.90 3hb7 n GLY 17 N 3.51 2.81 0.34 4.51 0.00 -1.26 -4.51 105.19 110.59 3hb7 n GLY 17 Ca -0.18 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 0.96 -0.48 1.61 3.07 -1.97 -1.48 114.58 116.30 3hb7 h GLU 18 Ca 0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3hb7 h GLU 18 Cb 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 27.70 3hb7 h GLU 18 CO 0.00 0.67 0.00 0.36 -1.40 0.00 0.00 179.01 178.64 3hb7 n LYS 19 N -4.40 2.35 -2.04 2.33 -0.00 -1.26 -4.95 118.16 110.19 3hb7 n LYS 19 Ca 0.07 -2.07 -0.41 0.00 -0.00 0.00 0.00 58.31 55.91 3hb7 n LYS 19 Cb 0.07 -1.48 -0.02 0.00 -0.00 0.00 0.00 35.03 33.60 3hb7 n LYS 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hb7 s ALA 20 N -1.37 3.57 0.33 0.58 0.00 -0.56 -4.91 121.76 119.40 3hb7 s ALA 20 Ca 0.39 1.31 0.03 0.00 0.00 0.00 0.00 51.96 53.69 3hb7 s ALA 20 Cb 0.21 -3.53 0.59 0.00 0.00 0.00 0.00 23.12 20.39 3hb7 s ALA 20 CO 0.29 -0.72 1.91 -1.35 0.00 0.00 0.00 175.76 175.88 3hb7 h PRO 21 N 4.27 0.65 -1.45 0.00 0.11 -1.80 -2.75 132.00 131.03 3hb7 h PRO 21 Ca -0.47 -0.11 -0.62 0.00 0.11 0.00 0.00 66.00 64.91 3hb7 h PRO 21 Cb 1.22 -0.11 -0.39 0.00 0.11 0.00 0.00 31.00 31.83 3hb7 h PRO 21 CO 0.72 0.58 -0.38 1.28 -0.21 0.00 0.00 178.00 179.99 3hb7 n LEU 22 N -4.33 5.34 -4.70 2.35 4.77 -0.23 -5.05 117.00 115.15 3hb7 n LEU 22 Ca 0.03 -5.04 -0.43 0.00 -0.03 0.00 0.00 56.01 50.54 3hb7 n LEU 22 Cb 0.18 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3hb7 n LEU 22 CO 0.38 2.11 1.07 -1.14 -1.33 0.00 0.00 177.39 178.47 3hb7 n ARG 23 N -0.55 2.28 -3.67 3.23 0.63 -1.04 -4.38 116.66 113.16 3hb7 n ARG 23 Ca 0.43 0.81 -0.39 0.00 -0.92 0.00 0.00 57.85 57.78 3hb7 n ARG 23 Cb 0.64 -2.49 -0.12 0.00 0.45 0.00 0.00 32.46 30.94 3hb7 n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hb7 h PRO 25 N 8.32 0.89 0.00 0.00 0.11 -1.80 0.17 132.00 139.69 3hb7 h PRO 25 Ca -0.24 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 3hb7 h PRO 25 Cb 1.09 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3hb7 h PRO 25 CO 0.65 0.59 -0.08 0.78 -0.21 0.00 0.00 178.00 179.73 3hb7 h GLY 26 N 0.91 0.00 0.95 -0.55 0.00 -1.69 -3.32 103.07 99.37 3hb7 h GLY 26 Ca 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3hb7 h GLY 26 CO -0.09 0.00 0.18 -1.33 0.00 0.00 0.00 176.54 175.30 3hb7 h GLY 27 N 0.72 0.66 1.52 4.60 0.00 -0.90 -2.78 103.07 106.90 3hb7 h GLY 27 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3hb7 h GLY 27 CO 0.01 0.33 0.30 1.05 0.00 0.00 0.00 176.54 178.23 3hb7 h GLU 28 N 0.53 0.64 0.00 4.80 4.11 -1.74 -2.38 114.58 120.54 3hb7 h GLU 28 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.52 3hb7 h GLU 28 Cb 0.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hb7 h GLU 28 CO -0.01 0.44 0.00 1.79 0.07 0.00 0.00 179.01 181.30 3hb7 h THR 29 N 0.66 0.00 -0.17 -1.06 1.35 -1.70 -2.68 112.91 109.30 3hb7 h THR 29 Ca 0.17 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3hb7 h THR 29 Cb -0.04 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3hb7 h THR 29 CO -0.03 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.54 3hb7 n ILE 30 N -3.05 0.24 -0.14 6.82 -5.35 -0.90 -4.53 119.36 112.45 3hb7 n ILE 30 Ca -0.01 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.77 3hb7 n ILE 30 Cb 0.18 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 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 3.98 1.13 -0.69 7.28 2.04 -1.56 -1.62 117.51 128.06 3hb7 h ILE 31 Ca 0.00 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3hb7 h ILE 31 Cb 0.88 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 3hb7 h ILE 31 CO 0.00 0.13 0.41 -0.65 0.00 0.00 0.00 178.15 178.04 3hb7 h PRO 32 N 0.57 0.95 -0.58 2.37 0.11 -1.81 -0.37 132.00 133.24 3hb7 h PRO 32 Ca 0.15 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 3hb7 h PRO 32 Cb -0.02 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.87 3hb7 h PRO 32 CO -0.03 0.68 0.13 -0.44 -0.21 0.00 0.00 178.00 178.12 3hb7 h ASP 33 N 0.95 0.85 -0.45 -2.05 3.32 -1.77 -1.60 116.42 115.67 3hb7 h ASP 33 Ca 0.25 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3hb7 h ASP 33 Cb -0.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3hb7 h ASP 33 CO -0.05 0.84 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.11 3hb7 h LEU 34 N 0.87 0.90 -1.14 1.55 3.38 -0.33 -2.61 115.31 117.92 3hb7 h LEU 34 Ca 0.19 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3hb7 h LEU 34 Cb 0.33 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hb7 h LEU 34 CO 0.00 1.07 0.35 1.56 0.09 0.00 0.00 178.44 181.51 3hb7 h GLN 35 N 0.72 0.95 -0.06 1.13 4.20 -0.98 0.20 115.11 121.28 3hb7 h GLN 35 Ca 0.11 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hb7 h GLN 35 Cb 0.69 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 3hb7 h GLN 35 CO 0.05 0.71 0.03 -0.22 -0.67 0.00 0.00 178.83 178.74 3hb7 h LYS 36 N 0.95 0.08 -0.39 1.46 3.64 -1.14 -1.06 116.57 120.10 3hb7 h LYS 36 Ca 0.24 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3hb7 h LYS 36 Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3hb7 h LYS 36 CO -0.03 0.10 -0.05 0.97 -2.27 0.00 0.00 179.45 178.17 3hb7 h ILE 37 N 0.03 1.23 0.19 2.00 2.10 -1.01 -1.20 117.51 120.84 3hb7 h ILE 37 Ca 0.02 -0.99 -0.01 0.00 1.08 0.00 0.00 64.86 64.96 3hb7 h ILE 37 Cb 0.05 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3hb7 h ILE 37 CO -0.00 0.34 -0.09 -0.26 -1.08 0.00 0.00 178.15 177.06 3hb7 h PHE 38 N 0.61 -0.23 -0.83 2.19 0.05 -0.09 -0.24 116.94 118.41 3hb7 h PHE 38 Ca 0.12 -0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.87 3hb7 h PHE 38 Cb 0.46 0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.45 3hb7 h PHE 38 CO 0.02 -0.10 0.40 0.93 -0.18 0.00 0.00 178.31 179.39 3hb7 h GLU 39 N -0.31 1.19 -0.40 1.51 4.39 -1.04 0.71 114.58 120.62 3hb7 h GLU 39 Ca -0.03 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 3hb7 h GLU 39 Cb 0.24 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3hb7 h GLU 39 CO 0.04 0.92 0.17 2.35 -1.16 0.00 0.00 179.01 181.33 3hb7 h TRP 40 N 1.18 0.60 -0.42 4.33 7.01 -0.87 0.11 115.95 127.90 3hb7 h TRP 40 Ca 0.29 -0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.19 3hb7 h TRP 40 Cb 0.11 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3hb7 h TRP 40 CO 0.01 0.52 0.05 0.28 -2.79 0.00 0.00 178.44 176.51 3hb7 h VAL 41 N 0.51 1.25 -0.66 2.65 2.07 -0.58 -2.15 116.25 119.34 3hb7 h VAL 41 Ca 0.14 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 3hb7 h VAL 41 Cb 0.16 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hb7 h VAL 41 CO -0.01 0.32 0.18 0.03 0.02 0.00 0.00 177.57 178.10 3hb7 h ARG 42 N 0.55 1.03 -0.09 1.57 3.08 -0.69 -1.71 114.38 118.13 3hb7 h ARG 42 Ca 0.12 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3hb7 h ARG 42 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3hb7 h ARG 42 CO 0.01 0.90 -0.05 0.78 -1.07 0.00 0.00 179.97 180.55 3hb7 h GLY 43 N 1.06 0.13 -4.48 0.04 0.00 -0.68 -3.45 103.07 95.70 3hb7 h GLY 43 Ca 0.21 -0.06 -0.52 0.00 0.00 0.00 0.00 47.33 46.95 3hb7 h GLY 43 CO -0.00 0.06 0.88 -1.60 0.00 0.00 0.00 176.54 175.88 3hb7 s ARG 44 N -4.92 4.20 0.46 4.80 3.52 -0.64 -4.95 118.95 121.42 3hb7 s ARG 44 Ca -0.05 2.43 -0.22 0.00 -0.13 0.00 0.00 55.73 57.75 3hb7 s ARG 44 Cb 0.16 -3.11 -0.07 0.00 -1.56 0.00 0.00 34.95 30.37 3hb7 s ARG 44 CO 0.70 -0.59 1.13 -2.00 -0.81 0.00 0.00 175.30 173.73 3hb7 s GLU 45 N 0.54 3.76 0.00 5.12 -6.30 -1.26 -4.85 118.70 115.72 3hb7 s GLU 45 Ca 0.67 1.69 0.00 0.00 -2.50 0.00 0.00 54.97 54.83 3hb7 s GLU 45 Cb -0.45 -2.35 0.00 0.00 0.00 0.00 0.00 34.13 31.33 3hb7 s GLU 45 CO 0.37 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.53 3hb7 n GLY 46 N 0.34 -0.32 0.58 -1.50 0.00 -1.26 -4.78 105.19 98.25 3hb7 n GLY 46 Ca 0.08 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.33 3hb7 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb7 n ASP 47 N -0.68 2.33 -0.01 1.61 2.03 -1.26 -4.77 116.55 115.79 3hb7 n ASP 47 Ca 0.00 -3.52 -0.01 0.00 0.52 0.00 0.00 54.79 51.78 3hb7 n ASP 47 Cb 0.00 -0.52 0.26 0.00 -0.72 0.00 0.00 41.12 40.14 3hb7 n ASP 47 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3hb7 h ASP 48 N 0.78 0.53 -3.14 1.67 5.19 -1.90 -3.43 116.42 116.12 3hb7 h ASP 48 Ca 0.04 -0.12 -0.61 0.00 -0.62 0.00 0.00 57.03 55.73 3hb7 h ASP 48 Cb 1.19 -0.14 -0.36 0.00 0.18 0.00 0.00 39.33 40.20 3hb7 h ASP 48 CO 0.11 0.63 -0.84 -0.63 -3.12 0.00 0.00 179.24 175.38 3hb7 s ILE 49 N -4.89 1.62 0.10 0.35 1.01 -1.26 -1.14 121.20 116.98 3hb7 s ILE 49 Ca -0.08 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 59.92 3hb7 s ILE 49 Cb 0.15 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3hb7 s ILE 49 CO 0.78 0.47 0.16 -1.00 0.00 0.00 0.00 174.94 175.34 3hb7 s HIS 50 N 1.36 3.34 -0.17 3.97 3.76 -0.10 -4.97 115.29 122.48 3hb7 s HIS 50 Ca 0.02 0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 55.01 3hb7 s HIS 50 Cb -0.13 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.87 3hb7 s HIS 50 CO -0.09 0.54 0.00 -0.51 -0.85 0.00 0.00 174.74 173.84 3hb7 s LEU 51 N -2.66 3.47 -0.11 0.89 1.43 -1.26 -1.03 118.68 119.41 3hb7 s LEU 51 Ca 0.32 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3hb7 s LEU 51 Cb -0.12 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3hb7 s LEU 51 CO 0.25 0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 176.12 3hb7 s VAL 52 N 0.41 1.71 -0.19 -1.59 1.01 -0.44 -3.50 120.40 117.81 3hb7 s VAL 52 Ca -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3hb7 s VAL 52 Cb -0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3hb7 s VAL 52 CO 0.02 0.48 -0.01 -1.00 0.00 0.00 0.00 175.10 174.59 3hb7 s HIS 53 N 0.73 3.04 -0.17 5.22 0.09 -0.42 -0.89 115.29 122.88 3hb7 s HIS 53 Ca -0.11 -0.40 -0.01 0.00 -0.00 0.00 0.00 55.06 54.55 3hb7 s HIS 53 Cb -0.16 -2.05 0.00 0.00 -0.00 0.00 0.00 32.58 30.37 3hb7 s HIS 53 CO 0.02 -0.17 -0.14 0.42 -0.00 0.00 0.00 174.74 174.87 3hb7 s ILE 54 N 0.80 2.72 -0.06 0.60 1.01 -0.01 -0.97 121.20 125.29 3hb7 s ILE 54 Ca 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 60.65 59.95 3hb7 s ILE 54 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3hb7 s ILE 54 CO 0.02 0.50 -0.18 0.00 0.00 0.00 0.00 174.94 175.28 3hb7 s GLN 55 N 1.02 2.03 0.13 2.79 -2.07 -0.57 -1.00 119.66 121.99 3hb7 s GLN 55 Ca -0.01 -0.63 -0.31 0.00 -1.82 0.00 0.00 55.36 52.59 3hb7 s GLN 55 Cb -0.15 -1.68 -0.08 0.00 -1.09 0.00 0.00 33.01 30.01 3hb7 s GLN 55 CO -0.03 0.19 1.38 -2.00 -1.32 0.00 0.00 175.29 173.52 3hb7 s GLU 56 N 0.21 4.33 -0.42 9.60 2.12 -1.26 -1.84 118.70 131.44 3hb7 s GLU 56 Ca -0.09 2.08 0.06 0.00 0.36 0.00 0.00 54.97 57.38 3hb7 s GLU 56 Cb -0.14 -3.23 0.20 0.00 0.26 0.00 0.00 34.13 31.22 3hb7 s GLU 56 CO 0.04 -0.41 0.47 0.00 -0.54 0.00 0.00 175.26 174.82 3hb7 n ALA 57 N 3.71 1.89 -1.42 6.30 0.00 0.31 -4.68 120.51 126.63 3hb7 n ALA 57 Ca 0.11 -2.82 -0.31 0.00 0.00 0.00 0.00 53.44 50.42 3hb7 n ALA 57 Cb 0.42 -0.89 0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.14 2.83 0.41 0.00 3.76 -0.58 -4.23 115.29 117.35 3hb7 s HIS 58 Ca 0.33 1.46 -0.25 0.00 -0.15 0.00 0.00 55.06 56.45 3hb7 s HIS 58 Cb 0.08 -2.98 -0.08 0.00 1.11 0.00 0.00 32.58 30.71 3hb7 s HIS 58 CO -0.16 -1.56 1.21 1.03 -0.85 0.00 0.00 174.74 174.42 3hb7 s ARG 59 N -4.98 3.98 -0.60 1.40 0.52 -1.26 -0.72 118.95 117.29 3hb7 s ARG 59 Ca 0.60 1.93 -0.31 0.00 -0.52 0.00 0.00 55.73 57.43 3hb7 s ARG 59 Cb -0.16 -2.67 -0.13 0.00 0.52 0.00 0.00 34.95 32.51 3hb7 s ARG 59 CO 0.55 -0.41 2.42 0.36 0.02 0.00 0.00 175.30 178.25 3hb7 n LYS 60 N 0.02 0.72 -0.09 3.54 2.85 -1.26 -4.87 118.16 119.07 3hb7 n LYS 60 Ca 0.04 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 3hb7 n LYS 60 Cb 0.46 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 3hb7 n LYS 60 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3hb7 n LEU 70 N 12.10 0.00 -3.71 -5.58 7.99 -1.26 -5.15 117.00 121.39 3hb7 n LEU 70 Ca 0.48 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 56.38 3hb7 n LEU 70 Cb 0.27 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.53 3hb7 n LEU 70 CO 0.80 0.00 0.10 -1.38 -1.51 0.00 0.00 177.39 175.40 3hb7 s HIS 71 N 0.00 -0.08 0.14 -1.77 -3.43 -1.26 -5.12 115.29 103.77 3hb7 s HIS 71 Ca 0.00 -0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 53.69 3hb7 s HIS 71 Cb 0.00 0.18 -0.07 0.00 -1.43 0.00 0.00 32.58 31.26 3hb7 s HIS 71 CO 0.00 -0.69 1.19 0.00 -2.00 0.00 0.00 174.74 173.24 3hb7 s ALA 72 N -3.83 3.41 -0.04 -1.38 0.00 -1.26 -4.98 121.76 113.68 3hb7 s ALA 72 Ca 0.05 0.90 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 3hb7 s ALA 72 Cb 0.02 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3hb7 s ALA 72 CO -0.10 -0.37 0.02 0.08 0.00 0.00 0.00 175.76 175.39 3hb7 s VAL 73 N 0.35 4.40 0.27 0.00 1.01 -1.26 -1.52 120.40 123.65 3hb7 s VAL 73 Ca 0.55 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3hb7 s VAL 73 Cb -0.31 -2.93 -0.12 0.00 0.00 0.00 0.00 36.38 33.03 3hb7 s VAL 73 CO 0.33 0.47 1.63 -0.75 0.00 0.00 0.00 175.10 176.79 3hb7 s LYS 74 N -1.31 4.11 0.00 2.72 2.20 0.10 -2.35 119.74 125.22 3hb7 s LYS 74 Ca 0.18 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 3hb7 s LYS 74 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3hb7 s LYS 74 CO 0.08 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3hb7 n GLY 75 N 2.60 0.85 3.93 5.54 0.00 -1.26 -4.89 105.19 111.96 3hb7 n GLY 75 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.34 3.52 0.29 2.61 -4.23 -0.99 -5.01 115.64 108.49 3hb7 s THR 76 Ca 0.00 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 59.34 3hb7 s THR 76 Cb 0.00 -3.21 0.18 0.00 1.34 0.00 0.00 72.50 70.81 3hb7 s THR 76 CO 0.00 -0.11 1.87 -0.25 -0.54 0.00 0.00 174.62 175.58 3hb7 h TRP 77 N 0.98 0.87 -0.51 3.99 7.01 -1.96 -2.74 115.95 123.59 3hb7 h TRP 77 Ca -0.44 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 60.48 3hb7 h TRP 77 Cb 1.26 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 28.03 3hb7 h TRP 77 CO 0.47 0.68 0.21 0.78 -2.79 0.00 0.00 178.44 177.79 3hb7 h GLY 78 N 0.97 0.78 2.00 2.65 0.00 -1.92 -2.21 103.07 105.34 3hb7 h GLY 78 Ca 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3hb7 h GLY 78 CO -0.01 0.36 -0.24 0.23 0.00 0.00 0.00 176.54 176.88 3hb7 h SER 79 N 0.72 0.00 -4.18 0.19 0.87 -1.67 -2.02 113.55 107.46 3hb7 h SER 79 Ca 0.18 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.24 3hb7 h SER 79 Cb 0.14 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.18 3hb7 h SER 79 CO -0.02 0.24 0.38 -0.62 -0.53 0.00 0.00 176.83 176.28 3hb7 s ASP 80 N -6.79 5.56 0.51 6.23 2.15 -0.83 -4.73 116.67 118.77 3hb7 s ASP 80 Ca -0.03 1.91 -0.22 0.00 0.43 0.00 0.00 52.55 54.64 3hb7 s ASP 80 Cb 0.15 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 3hb7 s ASP 80 CO 0.68 -1.32 1.22 -0.36 -0.17 0.00 0.00 175.17 175.22 3hb7 s PHE 81 N -2.35 2.65 0.50 -5.34 0.08 -1.26 -1.04 117.98 111.21 3hb7 s PHE 81 Ca 0.66 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.99 3hb7 s PHE 81 Cb -0.18 -3.50 -0.07 0.00 -0.57 0.00 0.00 43.02 38.70 3hb7 s PHE 81 CO 0.37 -1.96 1.11 0.96 -0.10 0.00 0.00 175.22 175.60 3hb7 s ILE 82 N -1.50 3.34 0.36 0.64 -4.36 -1.26 -4.65 121.20 113.76 3hb7 s ILE 82 Ca 0.68 0.89 0.03 0.00 -0.26 0.00 0.00 60.65 61.99 3hb7 s ILE 82 Cb -0.32 -3.39 0.26 0.00 1.25 0.00 0.00 42.46 40.26 3hb7 s ILE 82 CO 0.37 -0.12 2.02 -0.65 0.24 0.00 0.00 174.94 176.80 3hb7 h PRO 83 N 1.60 0.76 -0.18 0.37 0.11 -1.98 -0.85 132.00 131.84 3hb7 h PRO 83 Ca -0.50 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.57 3hb7 h PRO 83 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hb7 h PRO 83 CO 0.59 0.51 0.12 0.93 -0.21 0.00 0.00 178.00 179.94 3hb7 h GLU 84 N 0.78 0.21 -0.02 1.05 3.07 -2.02 -2.38 114.58 115.27 3hb7 h GLU 84 Ca 0.21 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 3hb7 h GLU 84 Cb -0.08 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.78 3hb7 h GLU 84 CO -0.04 0.14 -0.25 1.28 -1.40 0.00 0.00 179.01 178.73 3hb7 n LEU 85 N -4.51 2.65 -4.76 1.33 4.77 -0.40 -4.87 117.00 111.21 3hb7 n LEU 85 Ca -0.00 -3.53 -0.39 0.00 -0.03 0.00 0.00 56.01 52.06 3hb7 n LEU 85 Cb 0.10 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 3hb7 n LEU 85 CO 0.35 1.08 0.96 -0.47 -1.33 0.00 0.00 177.39 177.98 3hb7 s TYR 86 N -3.08 2.52 0.58 -1.77 6.14 -0.73 -4.83 117.35 116.18 3hb7 s TYR 86 Ca 0.36 1.39 -0.18 0.00 0.64 0.00 0.00 57.07 59.29 3hb7 s TYR 86 Cb 0.33 -3.71 -0.04 0.00 0.42 0.00 0.00 41.96 38.96 3hb7 s TYR 86 CO -0.02 -2.49 1.11 -2.14 0.64 0.00 0.00 175.55 172.65 3hb7 s PRO 87 N -2.67 3.19 -0.22 4.97 0.02 -1.26 -5.02 135.00 134.00 3hb7 s PRO 87 Ca 0.66 1.47 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 3hb7 s PRO 87 Cb -0.38 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.13 3hb7 s PRO 87 CO 0.47 -0.95 -0.03 -1.14 -0.33 0.00 0.00 177.00 175.01 3hb7 s GLN 88 N -3.65 3.41 5.89 5.54 0.74 -1.26 -5.00 119.66 125.32 3hb7 s GLN 88 Ca 0.69 -0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.49 3hb7 s GLN 88 Cb -0.21 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3hb7 s GLN 88 CO 0.33 -0.19 0.00 0.39 -0.55 0.00 0.00 175.29 175.27 3hb7 n GLU 89 N 4.79 0.00 0.27 1.67 1.02 -1.26 -1.21 120.64 125.92 3hb7 n GLU 89 Ca -0.18 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.11 3hb7 n GLU 89 Cb 0.51 0.00 0.69 0.00 -0.02 0.00 0.00 31.44 32.62 3hb7 n GLU 89 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3hb7 h ASP 90 N 0.00 0.00 -2.98 1.62 1.82 -2.01 -3.47 116.42 111.41 3hb7 h ASP 90 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 3hb7 h ASP 90 Cb 0.00 0.00 0.05 0.00 0.68 0.00 0.00 39.33 40.06 3hb7 h ASP 90 CO 0.00 0.08 0.85 -1.61 -1.61 0.00 0.00 179.24 176.94 3hb7 s GLU 91 N -3.80 4.23 0.44 0.28 2.02 -0.35 -4.93 118.70 116.60 3hb7 s GLU 91 Ca -0.00 2.34 -0.25 0.00 0.02 0.00 0.00 54.97 57.08 3hb7 s GLU 91 Cb 0.10 -3.14 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 3hb7 s GLU 91 CO 0.56 -0.56 1.30 -0.47 0.02 0.00 0.00 175.26 176.11 3hb7 s TYR 92 N 0.83 2.71 -0.05 1.61 5.04 -1.23 -4.82 117.35 121.44 3hb7 s TYR 92 Ca 0.67 1.41 0.06 0.00 -2.44 0.00 0.00 57.07 56.77 3hb7 s TYR 92 Cb -0.43 -3.66 -0.01 0.00 0.35 0.00 0.00 41.96 38.21 3hb7 s TYR 92 CO 0.35 -2.19 -0.23 0.42 -1.34 0.00 0.00 175.55 172.56 3hb7 s ILE 93 N -1.31 1.88 -0.07 3.14 1.01 -1.26 -1.31 121.20 123.27 3hb7 s ILE 93 Ca 0.61 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3hb7 s ILE 93 Cb -0.37 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 3hb7 s ILE 93 CO 0.47 0.53 -0.24 -0.69 0.00 0.00 0.00 174.94 175.01 3hb7 s VAL 94 N -0.09 1.99 -0.16 2.92 1.01 -0.14 -4.95 120.40 120.97 3hb7 s VAL 94 Ca -0.04 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 3hb7 s VAL 94 Cb -0.13 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3hb7 s VAL 94 CO 0.03 0.55 0.00 -1.10 0.00 0.00 0.00 175.10 174.58 3hb7 s GLN 95 N 0.08 3.76 0.04 2.72 -0.21 -1.26 -1.51 119.66 123.28 3hb7 s GLN 95 Ca -0.10 -0.45 0.07 0.00 0.02 0.00 0.00 55.36 54.90 3hb7 s GLN 95 Cb -0.15 -3.02 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 3hb7 s GLN 95 CO 0.06 0.28 -0.19 -1.59 -2.12 0.00 0.00 175.29 171.72 3hb7 s LYS 96 N 0.30 1.30 0.00 2.91 -2.85 -0.77 -4.86 119.74 115.77 3hb7 s LYS 96 Ca -0.01 -0.89 0.15 0.00 -1.00 0.00 0.00 55.97 54.22 3hb7 s LYS 96 Cb -0.13 -1.38 0.15 0.00 -2.06 0.00 0.00 37.83 34.40 3hb7 s LYS 96 CO 0.02 0.35 1.02 0.54 0.10 0.00 0.00 175.35 177.38 3hb7 n ARG 97 N 1.89 1.29 -3.43 1.78 1.74 -1.26 -0.53 116.66 118.14 3hb7 n ARG 97 Ca -0.17 -1.49 -0.13 0.00 -0.77 0.00 0.00 57.85 55.28 3hb7 n ARG 97 Cb 0.54 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 3hb7 n ARG 97 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hb7 n ARG 98 N 0.87 0.43 0.06 5.56 5.12 -1.26 -4.89 116.66 122.55 3hb7 n ARG 98 Ca 0.10 -2.10 -0.13 0.00 -1.93 0.00 0.00 57.85 53.79 3hb7 n ARG 98 Cb 0.39 1.49 -0.08 0.00 -1.16 0.00 0.00 32.46 33.10 3hb7 n ARG 98 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3hb7 h HIS 99 N 1.57 -0.11 -3.91 -1.55 3.86 -1.95 -3.44 115.15 109.61 3hb7 h HIS 99 Ca -0.17 -0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.54 3hb7 h HIS 99 Cb 0.75 0.04 0.04 0.00 1.06 0.00 0.00 27.41 29.30 3hb7 h HIS 99 CO 0.00 0.10 0.50 0.45 0.86 0.00 0.00 177.93 179.84 3hb7 s SER 100 N -5.26 6.72 0.47 2.45 0.15 -1.26 -4.64 113.70 112.33 3hb7 s SER 100 Ca -0.14 2.34 0.14 0.00 0.70 0.00 0.00 55.95 58.99 3hb7 s SER 100 Cb 0.04 -2.62 1.09 0.00 -1.71 0.00 0.00 66.02 62.83 3hb7 s SER 100 CO 0.65 -0.53 2.06 1.23 1.20 0.00 0.00 173.24 177.84 3hb7 h GLY 101 N 2.94 0.06 1.49 9.45 0.00 -1.85 -2.90 103.07 112.26 3hb7 h GLY 101 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3hb7 h GLY 101 CO 0.64 0.03 -0.37 0.69 0.00 0.00 0.00 176.54 177.53 3hb7 n PHE 102 N -4.43 0.67 -2.71 5.60 3.72 -1.26 -4.63 117.46 114.42 3hb7 n PHE 102 Ca -0.02 0.19 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 3hb7 n PHE 102 Cb 0.16 -0.75 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 3hb7 n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hb7 s ALA 103 N -3.13 3.40 -1.50 4.37 0.00 -1.10 -3.08 121.76 120.72 3hb7 s ALA 103 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hb7 s ALA 103 Cb 0.13 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3hb7 s ALA 103 CO 0.67 -1.67 0.00 0.72 0.00 0.00 0.00 175.76 175.48 3hb7 n HIS 104 N 6.99 -0.52 -4.69 0.00 8.25 -1.26 -4.70 115.22 119.29 3hb7 n HIS 104 Ca 0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.25 3hb7 n HIS 104 Cb 0.48 -3.15 -0.08 0.00 1.12 0.00 0.00 29.99 28.35 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 -2.74 1.20 -0.50 1.59 -4.23 -1.18 -5.00 115.64 104.78 3hb7 s THR 105 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3hb7 s THR 105 Cb 0.00 -2.35 0.80 0.00 1.34 0.00 0.00 72.50 72.30 3hb7 s THR 105 CO 0.00 0.00 1.73 -0.90 -0.54 0.00 0.00 174.62 174.91 3hb7 n ASP 106 N -1.20 5.51 -0.25 3.99 3.85 -1.26 -4.61 116.55 122.58 3hb7 n ASP 106 Ca -0.14 -2.80 -0.05 0.00 -0.71 0.00 0.00 54.79 51.08 3hb7 n ASP 106 Cb 0.67 -0.66 0.05 0.00 -1.35 0.00 0.00 41.12 39.83 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 4.07 0.82 -0.73 -2.12 5.85 -1.87 -1.53 115.31 119.80 3hb7 h LEU 107 Ca 0.00 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3hb7 h LEU 107 Cb 1.85 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 42.64 3hb7 h LEU 107 CO 0.42 0.63 0.32 -0.78 -0.34 0.00 0.00 178.44 178.70 3hb7 h ASP 108 N 0.94 0.98 -0.57 1.25 3.58 -1.89 -2.11 116.42 118.59 3hb7 h ASP 108 Ca 0.25 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3hb7 h ASP 108 Cb -0.04 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 3hb7 h ASP 108 CO -0.05 0.86 0.27 0.25 -2.88 0.00 0.00 179.24 177.70 3hb7 h LEU 109 N 1.04 0.75 -0.70 2.28 5.85 -1.72 0.40 115.31 123.20 3hb7 h LEU 109 Ca 0.25 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hb7 h LEU 109 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3hb7 h LEU 109 CO -0.03 0.67 0.37 0.22 -0.34 0.00 0.00 178.44 179.34 3hb7 h TYR 110 N 0.78 0.99 -0.71 1.25 3.20 -1.10 0.02 116.97 121.39 3hb7 h TYR 110 Ca 0.20 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3hb7 h TYR 110 Cb 0.12 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 3hb7 h TYR 110 CO -0.00 0.71 0.26 -0.07 -1.64 0.00 0.00 178.16 177.42 3hb7 h LEU 111 N 0.97 1.00 -0.69 2.82 4.07 -0.96 -2.12 115.31 120.40 3hb7 h LEU 111 Ca 0.25 -0.19 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 3hb7 h LEU 111 Cb 0.07 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3hb7 h LEU 111 CO -0.04 0.92 0.22 0.50 -1.08 0.00 0.00 178.44 178.96 3hb7 h LYS 112 N 1.03 1.07 -0.83 1.13 3.64 -0.33 -2.64 116.57 119.65 3hb7 h LYS 112 Ca 0.23 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hb7 h LYS 112 Cb 0.25 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3hb7 h LYS 112 CO -0.01 0.93 0.42 0.93 -2.27 0.00 0.00 179.45 179.44 3hb7 h GLU 113 N 1.01 1.18 -0.39 1.90 5.08 -0.57 -2.79 114.58 120.00 3hb7 h GLU 113 Ca 0.22 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hb7 h GLU 113 Cb 0.30 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hb7 h GLU 113 CO -0.01 0.89 0.00 0.39 -1.00 0.00 0.00 179.01 179.28 3hb7 n GLU 114 N -4.32 2.01 -2.60 2.33 -0.58 -0.84 -4.91 120.64 111.72 3hb7 n GLU 114 Ca 0.08 -1.55 -0.20 0.00 -0.42 0.00 0.00 57.16 55.07 3hb7 n GLU 114 Cb 0.12 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.21 -0.51 3.72 0.62 0.00 -1.05 -4.93 105.19 104.26 3hb7 n GLY 115 Ca 0.15 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.02 4.88 -0.88 -0.61 1.01 -1.01 -4.64 121.20 116.93 3hb7 s ILE 116 Ca 0.09 1.79 0.14 0.00 0.00 0.00 0.00 60.65 62.67 3hb7 s ILE 116 Cb -0.04 -4.20 -0.10 0.00 0.01 0.00 0.00 42.46 38.13 3hb7 s ILE 116 CO 0.12 0.23 0.66 -0.90 0.00 0.00 0.00 174.94 175.05 3hb7 n ASP 117 N 3.62 0.93 -3.85 3.58 3.85 -0.80 -4.81 116.55 119.08 3hb7 n ASP 117 Ca 0.02 -0.97 -0.14 0.00 -0.71 0.00 0.00 54.79 53.00 3hb7 n ASP 117 Cb 0.51 0.83 -0.15 0.00 -1.35 0.00 0.00 41.12 40.96 3hb7 n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3hb7 s THR 118 N -2.15 0.04 -0.04 2.12 2.01 -1.15 -1.73 115.64 114.74 3hb7 s THR 118 Ca 0.07 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.18 3hb7 s THR 118 Cb 0.11 -0.09 -0.02 0.00 0.01 0.00 0.00 72.50 72.51 3hb7 s THR 118 CO 0.51 0.05 -0.20 0.68 -0.69 0.00 0.00 174.62 174.97 3hb7 s VAL 119 N 0.38 2.58 -0.04 3.82 -7.23 0.30 -1.10 120.40 119.11 3hb7 s VAL 119 Ca -0.03 -0.91 0.05 0.00 -1.81 0.00 0.00 61.98 59.28 3hb7 s VAL 119 Cb -0.05 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 3hb7 s VAL 119 CO -0.01 0.59 -0.19 0.68 -0.31 0.00 0.00 175.10 175.85 3hb7 s VAL 120 N -0.66 1.59 -0.17 1.32 -7.23 0.16 -0.92 120.40 114.48 3hb7 s VAL 120 Ca 0.11 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.39 3hb7 s VAL 120 Cb -0.10 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3hb7 s VAL 120 CO -0.00 0.45 0.05 -0.76 -0.31 0.00 0.00 175.10 174.53 3hb7 s LEU 121 N -0.17 3.79 0.04 1.32 2.01 0.63 -1.18 118.68 125.12 3hb7 s LEU 121 Ca 0.00 0.10 -0.03 0.00 0.01 0.00 0.00 54.13 54.21 3hb7 s LEU 121 Cb -0.11 -1.94 -0.02 0.00 0.01 0.00 0.00 46.19 44.13 3hb7 s LEU 121 CO 0.01 0.21 0.03 0.42 1.01 0.00 0.00 176.35 178.04 3hb7 s THR 122 N 0.15 0.16 0.00 5.49 -4.23 -0.80 -2.69 115.64 113.72 3hb7 s THR 122 Ca 0.04 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3hb7 s THR 122 Cb -0.12 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.75 3hb7 s THR 122 CO 0.01 -0.71 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 3hb7 n GLY 123 N 0.71 -0.49 3.07 3.99 0.00 -0.75 -1.25 105.19 110.48 3hb7 n GLY 123 Ca -0.18 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.64 3hb7 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hb7 s VAL 124 N 0.00 0.09 0.34 1.61 0.11 -1.00 -1.98 120.40 119.57 3hb7 s VAL 124 Ca 0.00 -0.77 -0.13 0.00 -2.93 0.00 0.00 61.98 58.16 3hb7 s VAL 124 Cb 0.00 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.39 3hb7 s VAL 124 CO 0.00 -0.42 0.72 0.26 -3.33 0.00 0.00 175.10 172.33 3hb7 s TRP 125 N -1.42 3.41 0.20 1.54 0.52 -1.26 -4.41 118.94 117.52 3hb7 s TRP 125 Ca -0.15 1.12 -0.11 0.00 0.02 0.00 0.00 56.10 56.98 3hb7 s TRP 125 Cb -0.08 -2.47 0.14 0.00 -1.15 0.00 0.00 33.47 29.91 3hb7 s TRP 125 CO 0.01 0.05 1.87 1.15 0.02 0.00 0.00 176.95 180.05 3hb7 h THR 126 N 1.69 1.19 -0.01 2.01 2.02 -1.04 -1.95 112.91 116.82 3hb7 h THR 126 Ca -0.48 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.36 3hb7 h THR 126 Cb 1.18 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3hb7 h THR 126 CO 0.65 0.18 -0.21 -0.46 0.37 0.00 0.00 175.52 176.06 3hb7 n ASN 127 N -4.58 1.35 0.00 4.18 2.04 -1.26 -2.44 115.26 114.55 3hb7 n ASN 127 Ca 0.07 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 53.04 3hb7 n ASN 127 Cb 0.02 0.13 0.00 0.00 -2.53 0.00 0.00 39.78 37.40 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 -0.28 0.00 -0.14 3.53 0.31 -0.84 -4.64 118.33 116.27 3hb7 n VAL 128 Ca 0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.45 3hb7 n VAL 128 Cb 0.38 -0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.82 1.16 -0.69 0.00 2.07 -1.59 -2.08 116.25 115.94 3hb7 h VAL 130 Ca 0.19 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3hb7 h VAL 130 Cb 0.21 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hb7 h VAL 130 CO -0.01 0.16 0.27 -0.09 0.02 0.00 0.00 177.57 177.92 3hb7 h ARG 131 N 0.27 1.01 -0.51 1.57 9.65 -1.10 -2.27 114.38 123.01 3hb7 h ARG 131 Ca 0.09 -0.17 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 3hb7 h ARG 131 Cb 0.15 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3hb7 h ARG 131 CO -0.01 0.83 0.21 0.77 2.80 0.00 0.00 179.97 184.57 3hb7 h SER 132 N 0.99 0.70 -0.65 -3.80 0.02 -1.02 -1.80 113.55 107.99 3hb7 h SER 132 Ca 0.23 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3hb7 h SER 132 Cb 0.20 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3hb7 h SER 132 CO -0.02 0.67 0.22 0.74 -1.14 0.00 0.00 176.83 177.31 3hb7 h THR 133 N 0.68 1.24 -0.63 -2.27 2.02 -1.20 -2.17 112.91 110.58 3hb7 h THR 133 Ca 0.17 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3hb7 h THR 133 Cb 0.19 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 3hb7 h THR 133 CO -0.01 0.32 0.28 0.00 0.37 0.00 0.00 175.52 176.48 3hb7 h ALA 134 N 1.25 0.82 -0.67 6.16 0.00 -1.17 -1.81 119.26 123.84 3hb7 h ALA 134 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hb7 h ALA 134 Cb 0.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hb7 h ALA 134 CO -0.01 0.41 0.22 1.15 0.00 0.00 0.00 179.25 181.02 3hb7 h THR 135 N 0.88 1.25 -0.52 0.00 2.02 -1.11 -2.24 112.91 113.18 3hb7 h THR 135 Ca 0.21 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 3hb7 h THR 135 Cb 0.17 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3hb7 h THR 135 CO -0.02 0.33 0.02 0.44 0.37 0.00 0.00 175.52 176.66 3hb7 h ASP 136 N 0.97 0.83 -0.39 4.18 5.19 -1.23 -0.92 116.42 125.04 3hb7 h ASP 136 Ca 0.22 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3hb7 h ASP 136 Cb 0.28 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 3hb7 h ASP 136 CO -0.01 0.88 0.15 0.00 -3.12 0.00 0.00 179.24 177.14 3hb7 h ALA 137 N 1.22 0.51 -0.91 3.45 0.00 -1.16 -2.06 119.26 120.31 3hb7 h ALA 137 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hb7 h ALA 137 Cb 0.45 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3hb7 h ALA 137 CO 0.02 0.13 0.55 1.25 0.00 0.00 0.00 179.25 181.20 3hb7 h LEU 138 N 0.49 1.08 -1.99 0.00 7.12 -1.28 -1.52 115.31 119.21 3hb7 h LEU 138 Ca 0.13 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 3hb7 h LEU 138 Cb 0.21 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.06 3hb7 h LEU 138 CO -0.01 0.82 -0.08 0.00 -0.13 0.00 0.00 178.44 179.04 3hb7 h ALA 139 N 1.37 1.16 -0.59 1.25 0.00 -0.64 -1.93 119.26 119.87 3hb7 h ALA 139 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hb7 h ALA 139 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hb7 h ALA 139 CO -0.06 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.37 3hb7 n ASN 140 N -3.41 4.64 -0.03 0.00 3.02 -0.65 -4.95 115.26 113.88 3hb7 n ASN 140 Ca -0.01 -2.49 -0.00 0.00 -0.03 0.00 0.00 54.58 52.04 3hb7 n ASN 140 Cb 0.23 -0.56 -0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.92 -0.01 -1.47 5.41 0.00 -0.73 -5.00 120.51 119.63 3hb7 n ALA 141 Ca 0.25 0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.38 3hb7 n ALA 141 Cb 0.88 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.70 2.93 -0.01 0.00 2.02 -0.75 -5.00 117.35 114.84 3hb7 s TYR 142 Ca 0.00 1.47 -0.14 0.00 -0.37 0.00 0.00 57.07 58.03 3hb7 s TYR 142 Cb 0.00 -2.94 -0.06 0.00 -0.40 0.00 0.00 41.96 38.56 3hb7 s TYR 142 CO 0.00 -1.41 0.39 0.15 -1.57 0.00 0.00 175.55 173.11 3hb7 s LYS 143 N -4.94 3.89 -0.08 -0.62 1.02 -0.71 -4.34 119.74 113.96 3hb7 s LYS 143 Ca 0.59 0.37 0.04 0.00 0.02 0.00 0.00 55.97 57.00 3hb7 s LYS 143 Cb -0.15 -3.22 -0.00 0.00 -0.52 0.00 0.00 37.83 33.93 3hb7 s LYS 143 CO 0.54 0.69 -0.22 0.08 -0.92 0.00 0.00 175.35 175.52 3hb7 s VAL 144 N -1.05 1.88 -0.04 3.17 1.01 -1.26 -0.54 120.40 123.57 3hb7 s VAL 144 Ca 0.23 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3hb7 s VAL 144 Cb -0.16 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3hb7 s VAL 144 CO 0.13 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 174.89 3hb7 s ILE 145 N 0.21 1.82 -0.13 2.22 1.01 -0.10 -2.18 121.20 124.05 3hb7 s ILE 145 Ca -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3hb7 s ILE 145 Cb -0.16 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 3hb7 s ILE 145 CO 0.06 0.51 -0.19 -0.89 0.00 0.00 0.00 174.94 174.44 3hb7 s THR 146 N -0.27 2.47 -0.43 2.92 2.01 -0.14 -0.26 115.64 121.94 3hb7 s THR 146 Ca 0.01 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 3hb7 s THR 146 Cb -0.11 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.42 3hb7 s THR 146 CO 0.02 0.54 0.50 -0.76 -0.69 0.00 0.00 174.62 174.22 3hb7 s LEU 147 N 0.51 4.79 0.23 4.42 1.02 -1.09 -4.24 118.68 124.32 3hb7 s LEU 147 Ca -0.12 -0.61 -0.07 0.00 0.02 0.00 0.00 54.13 53.35 3hb7 s LEU 147 Cb -0.16 -2.47 0.19 0.00 0.02 0.00 0.00 46.19 43.77 3hb7 s LEU 147 CO 0.05 -0.64 1.84 0.77 0.02 0.00 0.00 176.35 178.38 3hb7 h SER 148 N 8.78 1.10 -0.03 2.29 4.64 -1.89 0.11 113.55 128.54 3hb7 h SER 148 Ca -0.26 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3hb7 h SER 148 Cb 1.11 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3hb7 h SER 148 CO 0.83 0.89 0.00 -0.90 -0.87 0.00 0.00 176.83 176.78 3hb7 n ASP 149 N -4.34 2.04 -0.07 4.97 5.75 -1.26 -3.72 116.55 119.92 3hb7 n ASP 149 Ca 0.09 -1.68 0.12 0.00 -0.01 0.00 0.00 54.79 53.31 3hb7 n ASP 149 Cb 0.11 -0.01 0.31 0.00 -1.03 0.00 0.00 41.12 40.49 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 1.24 -1.07 3.35 6.12 0.00 0.30 -4.83 105.19 110.29 3hb7 n GLY 150 Ca 0.17 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.85 1.94 0.22 2.61 -4.23 -0.59 -1.80 115.64 110.94 3hb7 s THR 151 Ca 0.15 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 3hb7 s THR 151 Cb 0.18 -1.88 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 3hb7 s THR 151 CO 0.64 -0.24 0.36 0.00 -0.54 0.00 0.00 174.62 174.84 3hb7 s ALA 152 N -1.86 0.16 0.36 3.99 0.00 -0.84 -4.94 121.76 118.64 3hb7 s ALA 152 Ca 0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3hb7 s ALA 152 Cb -0.07 1.13 0.01 0.00 0.00 0.00 0.00 23.12 24.19 3hb7 s ALA 152 CO 0.07 -0.76 0.48 0.45 0.00 0.00 0.00 175.76 176.01 3hb7 n SER 153 N -0.33 -1.34 -0.12 0.00 2.88 -1.26 -0.52 113.62 112.92 3hb7 n SER 153 Ca -0.01 -2.96 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 3hb7 n SER 153 Cb 0.63 2.53 0.27 0.00 -0.75 0.00 0.00 64.21 66.89 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 0.80 -4.73 -1.46 3.64 -1.96 -2.85 116.57 110.00 3hb7 h LYS 154 Ca -0.27 -0.09 -0.26 0.00 -1.27 0.00 0.00 60.65 58.76 3hb7 h LYS 154 Cb 1.22 -0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 32.72 3hb7 h LYS 154 CO 0.38 0.61 -0.71 0.95 -2.27 0.00 0.00 179.45 178.40 3hb7 s THR 155 N -5.49 0.75 0.38 1.00 -4.23 -1.26 -4.34 115.64 102.46 3hb7 s THR 155 Ca -0.10 -1.75 0.07 0.00 -1.18 0.00 0.00 61.69 58.73 3hb7 s THR 155 Cb 0.17 -1.47 0.19 0.00 1.34 0.00 0.00 72.50 72.73 3hb7 s THR 155 CO 0.77 -0.73 1.94 -0.33 -0.54 0.00 0.00 174.62 175.74 3hb7 h GLU 156 N 3.30 0.41 -0.61 3.99 5.08 -2.03 -1.96 114.58 122.77 3hb7 h GLU 156 Ca -0.36 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hb7 h GLU 156 Cb 1.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hb7 h GLU 156 CO 0.59 0.43 0.00 -1.91 -1.00 0.00 0.00 179.01 177.11 3hb7 n GLU 157 N -4.33 0.23 0.00 2.33 2.13 -1.26 -1.10 120.64 118.64 3hb7 n GLU 157 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3hb7 n GLU 157 Cb 0.20 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 0.51 0.00 -0.11 4.31 -0.00 -0.74 -1.18 115.22 118.01 3hb7 n HIS 159 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3hb7 n HIS 159 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.51 0.00 1.57 4.81 -1.38 -1.32 114.58 118.77 3hb7 h GLU 160 Ca 0.00 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3hb7 h GLU 160 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3hb7 h GLU 160 CO 0.00 0.54 -0.39 0.10 -0.73 0.00 0.00 179.01 178.53 3hb7 h TYR 161 N 0.38 0.00 -0.62 0.92 -0.00 -1.41 -2.78 116.97 113.46 3hb7 h TYR 161 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.80 3hb7 h TYR 161 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.95 3hb7 h TYR 161 CO 0.01 0.39 0.24 0.78 -0.00 0.00 0.00 178.16 179.57 3hb7 h GLY 162 N 2.00 1.00 1.14 0.10 0.00 -1.72 -2.07 103.07 103.51 3hb7 h GLY 162 Ca -0.00 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 3hb7 h GLY 162 CO 0.05 0.52 0.32 1.41 0.00 0.00 0.00 176.54 178.84 3hb7 h LEU 163 N 0.87 1.01 -0.53 3.11 3.38 -1.17 -0.19 115.31 121.77 3hb7 h LEU 163 Ca 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hb7 h LEU 163 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hb7 h LEU 163 CO -0.01 0.88 0.21 -1.13 0.09 0.00 0.00 178.44 178.48 3hb7 h ASN 164 N 1.09 0.74 -0.62 -0.43 -0.73 -1.21 0.76 115.58 115.17 3hb7 h ASN 164 Ca 0.25 -0.17 -0.04 0.00 1.87 0.00 0.00 56.30 58.21 3hb7 h ASN 164 Cb 0.18 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 3hb7 h ASN 164 CO -0.03 0.70 0.23 0.44 -0.37 0.00 0.00 177.43 178.40 3hb7 h ASP 165 N 0.72 0.88 0.20 1.15 5.19 -1.18 -2.90 116.42 120.48 3hb7 h ASP 165 Ca 0.18 -0.19 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 3hb7 h ASP 165 Cb 0.20 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.47 3hb7 h ASP 165 CO -0.01 0.83 -0.16 -0.07 -3.12 0.00 0.00 179.24 176.71 3hb7 h LEU 166 N 0.88 0.00 -0.24 1.55 3.38 0.01 -1.79 115.31 119.10 3hb7 h LEU 166 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3hb7 h LEU 166 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hb7 h LEU 166 CO -0.01 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 3hb7 n SER 167 N -4.20 0.35 -0.12 -0.43 3.41 0.16 -1.31 113.62 111.48 3hb7 n SER 167 Ca -0.02 0.57 -0.08 0.00 -0.26 0.00 0.00 58.87 59.08 3hb7 n SER 167 Cb 0.23 -0.65 0.08 0.00 -0.26 0.00 0.00 64.21 63.61 3hb7 n SER 167 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hb7 h ILE 168 N 0.00 1.27 0.00 -1.33 2.04 -1.38 -3.33 117.51 114.78 3hb7 h ILE 168 Ca 0.00 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3hb7 h ILE 168 Cb 0.39 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3hb7 h ILE 168 CO 0.00 0.43 0.00 2.22 0.00 0.00 0.00 178.15 180.80 3hb7 n PHE 169 N -4.14 0.00 -4.32 1.37 1.16 -1.11 -2.18 117.46 108.23 3hb7 n PHE 169 Ca 0.01 -0.08 -0.17 0.00 -1.87 0.00 0.00 57.45 55.34 3hb7 n PHE 169 Cb 0.40 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 38.16 3hb7 n PHE 169 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 3hb7 s THR 170 N -0.16 1.31 -0.27 1.97 -4.23 -0.42 -4.55 115.64 109.28 3hb7 s THR 170 Ca 0.00 -2.09 -0.20 0.00 -1.18 0.00 0.00 61.69 58.22 3hb7 s THR 170 Cb 0.00 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 3hb7 s THR 170 CO 0.00 -0.50 0.64 -0.75 -0.54 0.00 0.00 174.62 173.46 3hb7 s LYS 171 N -3.76 4.04 0.01 3.99 2.47 -0.93 -1.86 119.74 123.69 3hb7 s LYS 171 Ca 0.24 0.47 -0.02 0.00 -1.56 0.00 0.00 55.97 55.11 3hb7 s LYS 171 Cb 0.03 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 3hb7 s LYS 171 CO 0.06 -0.47 0.16 0.08 0.16 0.00 0.00 175.35 175.34 3hb7 s VAL 172 N 2.56 5.23 0.33 4.02 1.01 -1.26 -0.97 120.40 131.32 3hb7 s VAL 172 Ca 0.26 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3hb7 s VAL 172 Cb -0.15 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3hb7 s VAL 172 CO 0.10 0.29 0.40 0.28 0.00 0.00 0.00 175.10 176.17 3hb7 s THR 174 N -1.33 3.97 0.16 3.92 -1.32 -1.26 -4.96 115.64 114.83 3hb7 s THR 174 Ca 0.28 -1.12 -0.14 0.00 -1.21 0.00 0.00 61.69 59.49 3hb7 s THR 174 Cb -0.13 -3.36 0.05 0.00 -1.51 0.00 0.00 72.50 67.55 3hb7 s THR 174 CO 0.19 -0.17 1.80 0.58 -2.21 0.00 0.00 174.62 174.81 3hb7 h VAL 175 N 1.03 1.15 -0.52 5.08 2.07 -1.92 -0.59 116.25 122.54 3hb7 h VAL 175 Ca -0.46 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3hb7 h VAL 175 Cb 1.25 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3hb7 h VAL 175 CO 0.55 0.15 0.12 0.44 0.02 0.00 0.00 177.57 178.85 3hb7 h ASP 176 N 0.67 0.80 -0.94 0.57 3.32 -1.99 -1.21 116.42 117.65 3hb7 h ASP 176 Ca 0.18 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hb7 h ASP 176 Cb -0.02 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3hb7 h ASP 176 CO -0.03 0.84 0.58 1.56 -1.72 0.00 0.00 179.24 180.46 3hb7 h GLN 177 N 0.73 1.27 -0.30 3.56 4.20 -1.90 0.10 115.11 122.78 3hb7 h GLN 177 Ca 0.16 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hb7 h GLN 177 Cb 0.35 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3hb7 h GLN 177 CO 0.00 0.88 0.08 -0.92 -0.67 0.00 0.00 178.83 178.20 3hb7 h TYR 178 N 1.29 0.50 -0.25 2.96 3.20 -0.66 -1.07 116.97 122.95 3hb7 h TYR 178 Ca 0.34 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3hb7 h TYR 178 Cb -0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3hb7 h TYR 178 CO 0.00 0.52 0.11 0.82 -1.64 0.00 0.00 178.16 177.98 3hb7 h ILE 179 N 0.33 1.15 -0.07 1.81 2.04 -0.64 -3.02 117.51 119.11 3hb7 h ILE 179 Ca 0.10 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3hb7 h ILE 179 Cb 0.27 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 3hb7 h ILE 179 CO -0.00 0.15 -0.11 -0.61 0.00 0.00 0.00 178.15 177.58 3hb7 h GLN 180 N 0.26 0.10 -0.62 2.37 5.75 -0.62 -2.35 115.11 119.99 3hb7 h GLN 180 Ca 0.08 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 3hb7 h GLN 180 Cb 0.14 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3hb7 h GLN 180 CO -0.01 0.22 0.06 0.00 -2.65 0.00 0.00 178.83 176.45 3hb7 h ALA 181 N 1.79 0.93 -0.58 3.38 0.00 -1.07 -2.31 119.26 121.40 3hb7 h ALA 181 Ca 0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3hb7 h ALA 181 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hb7 h ALA 181 CO 0.02 0.65 0.03 -1.49 0.00 0.00 0.00 179.25 178.46 3hb7 h TRP 182 N 0.97 1.07 -0.57 0.00 4.06 -1.39 -1.46 115.95 118.62 3hb7 h TRP 182 Ca 0.19 -0.16 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3hb7 h TRP 182 Cb 0.47 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 3hb7 h TRP 182 CO 0.03 0.94 0.24 1.49 -3.56 0.00 0.00 178.44 177.58 3hb7 h GLU 183 N 0.92 0.82 -0.02 0.49 4.57 -1.23 -1.39 114.58 118.73 3hb7 h GLU 183 Ca 0.17 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3hb7 h GLU 183 Cb 0.50 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3hb7 h GLU 183 CO 0.02 0.66 0.00 0.09 -1.18 0.00 0.00 179.01 178.60 3hb7 n ASN 184 N -4.34 0.48 -3.17 1.04 4.13 -0.89 -4.89 115.26 107.61 3hb7 n ASN 184 Ca 0.05 -1.30 -0.23 0.00 1.68 0.00 0.00 54.58 54.78 3hb7 n ASN 184 Cb 0.15 -0.01 0.02 0.00 -1.54 0.00 0.00 39.78 38.40 3hb7 n ASN 184 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hb7 n ASP 185 N -0.56 -5.33 -4.47 6.41 5.68 -0.52 -4.97 116.55 112.78 3hb7 n ASP 185 Ca 0.19 -0.34 -0.32 0.00 -0.50 0.00 0.00 54.79 53.82 3hb7 n ASP 185 Cb 0.17 -4.33 -0.13 0.00 -1.14 0.00 0.00 41.12 35.69 3hb7 n ASP 185 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 3hb7 s GLU 186 N -5.85 2.39 -0.00 0.11 -1.05 -0.57 -5.04 118.70 108.68 3hb7 s GLU 186 Ca 0.35 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 54.10 3hb7 s GLU 186 Cb -0.17 -2.32 -0.07 0.00 -0.44 0.00 0.00 34.13 31.13 3hb7 s GLU 186 CO 0.44 0.60 1.67 0.34 0.95 0.00 0.00 175.26 179.26 3hb7 s ASP 187 N -0.94 6.64 0.44 0.83 -1.08 -1.26 -4.18 116.67 117.12 3hb7 s ASP 187 Ca 0.13 2.35 0.20 0.00 -0.52 0.00 0.00 52.55 54.71 3hb7 s ASP 187 Cb -0.11 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.86 3hb7 s ASP 187 CO 0.02 -0.91 1.94 -0.65 0.52 0.00 0.00 175.17 176.08 3hb7 h PRO 188 N 9.14 0.00 0.00 4.34 0.11 -1.93 -3.12 132.00 140.54 3hb7 h PRO 188 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3hb7 h PRO 188 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hb7 h PRO 188 CO 0.94 0.24 0.00 2.35 -0.21 0.00 0.00 178.00 181.32 3hb7 h TRP 189 N 0.00 0.00 -3.16 0.65 7.01 -1.97 -3.47 115.95 115.01 3hb7 h TRP 189 Ca -0.00 0.00 -0.53 0.00 2.11 0.00 0.00 58.89 60.47 3hb7 h TRP 189 Cb 0.51 0.00 0.07 0.00 -2.10 0.00 0.00 29.16 27.64 3hb7 h TRP 189 CO 0.00 0.00 0.87 0.54 -2.79 0.00 0.00 178.44 177.06 3hb7 s VAL 190 N -3.34 2.29 -0.10 2.65 0.11 -1.18 -2.47 120.40 118.35 3hb7 s VAL 190 Ca 0.05 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 3hb7 s VAL 190 Cb 0.10 -3.15 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 3hb7 s VAL 190 CO 0.45 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.86 3hb7 n GLY 191 N 2.70 0.45 3.81 6.54 0.00 -1.26 -5.04 105.19 112.39 3hb7 n GLY 191 Ca 0.10 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3hb7 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hb7 s GLY 192 N -2.97 1.77 0.00 -0.02 0.00 -1.03 -4.91 107.32 100.15 3hb7 s GLY 192 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.89 3hb7 s GLY 192 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 173.10 174.19 3hb7 n GLY 193 N -1.71 -1.95 2.30 0.20 0.00 -0.78 -4.72 105.19 98.53 3hb7 n GLY 193 Ca 0.08 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.54 3hb7 n GLY 193 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hb7 n ASP 194 N 0.53 1.22 0.07 1.61 2.03 -0.93 -4.85 116.55 116.24 3hb7 n ASP 194 Ca 0.00 -3.04 0.08 0.00 0.52 0.00 0.00 54.79 52.35 3hb7 n ASP 194 Cb 0.00 -0.60 0.37 0.00 -0.72 0.00 0.00 41.12 40.16 3hb7 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hb7 n ALA 195 N 0.20 1.49 -0.08 -1.67 0.00 -1.26 -0.63 120.51 118.56 3hb7 n ALA 195 Ca 0.24 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.81 3hb7 n ALA 195 Cb 0.66 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 19.06 3hb7 n ALA 195 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hb7 n GLN 196 N -1.87 2.55 -3.32 0.00 6.02 -1.26 -5.02 117.38 114.48 3hb7 n GLN 196 Ca 0.02 -2.26 -0.10 0.00 -0.01 0.00 0.00 57.00 54.65 3hb7 n GLN 196 Cb 0.15 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3hb7 n GLN 196 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3hb7 n ASN 197 N 1.17 -6.75 -0.76 1.08 4.05 0.20 -4.94 115.26 109.31 3hb7 n ASN 197 Ca 0.18 -0.41 0.07 0.00 0.45 0.00 0.00 54.58 54.86 3hb7 n ASN 197 Cb 0.53 -4.12 0.19 0.00 1.23 0.00 0.00 39.78 37.61 3hb7 n ASN 197 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3hb7 n LYS 198 N -2.21 2.93 0.00 1.20 4.76 -1.26 -5.17 118.16 118.40 3hb7 n LYS 198 Ca -0.10 -2.32 0.12 0.00 -2.87 0.00 0.00 58.31 53.13 3hb7 n LYS 198 Cb 0.57 -1.47 0.70 0.00 -1.84 0.00 0.00 35.03 32.99 3hb7 n LYS 198 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36