#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 0.52 0.08 0.00 2.20 -1.26 -4.89 119.74 116.38 3hb7 s LYS 3 Ca 0.00 -0.19 0.06 0.00 -0.36 0.00 0.00 55.97 55.48 3hb7 s LYS 3 Cb 0.00 -0.51 -0.03 0.00 -1.51 0.00 0.00 37.83 35.78 3hb7 s LYS 3 CO 0.00 0.09 -0.15 -1.01 -0.36 0.00 0.00 175.35 173.92 3hb7 s HIS 4 N 0.03 1.32 -0.10 4.03 3.76 -0.52 -2.36 115.29 121.46 3hb7 s HIS 4 Ca 0.00 -0.46 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 3hb7 s HIS 4 Cb -0.04 -0.73 0.01 0.00 1.11 0.00 0.00 32.58 32.92 3hb7 s HIS 4 CO -0.00 0.09 -0.18 0.00 -0.85 0.00 0.00 174.74 173.79 3hb7 s ALA 5 N -1.32 1.79 -0.27 -1.40 0.00 -0.60 -0.83 121.76 119.13 3hb7 s ALA 5 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 3hb7 s ALA 5 Cb -0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 3hb7 s ALA 5 CO 0.03 0.10 0.26 0.42 0.00 0.00 0.00 175.76 176.57 3hb7 s ILE 6 N 0.66 5.26 -0.22 0.00 1.01 0.39 -0.10 121.20 128.21 3hb7 s ILE 6 Ca -0.13 0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.71 3hb7 s ILE 6 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 3hb7 s ILE 6 CO 0.03 0.22 0.29 -0.76 0.00 0.00 0.00 174.94 174.72 3hb7 s LEU 7 N 1.81 4.14 -0.33 2.97 1.43 0.55 -1.40 118.68 127.84 3hb7 s LEU 7 Ca 0.10 0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3hb7 s LEU 7 Cb -0.16 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hb7 s LEU 7 CO 0.10 -0.00 0.13 -0.69 0.23 0.00 0.00 176.35 176.11 3hb7 s VAL 8 N 1.14 4.09 -0.26 -1.59 1.01 -0.13 -1.45 120.40 123.20 3hb7 s VAL 8 Ca 0.14 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3hb7 s VAL 8 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3hb7 s VAL 8 CO 0.06 -0.10 0.09 -0.63 0.00 0.00 0.00 175.10 174.52 3hb7 s ILE 9 N 1.48 4.41 0.32 2.22 1.01 -0.28 -1.17 121.20 129.19 3hb7 s ILE 9 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3hb7 s ILE 9 Cb -0.19 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3hb7 s ILE 9 CO 0.04 0.28 0.00 0.47 0.00 0.00 0.00 174.94 175.73 3hb7 n ASP 10 N 4.94 -8.51 0.00 3.58 8.00 -0.77 -1.65 116.55 122.14 3hb7 n ASP 10 Ca -0.16 1.36 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3hb7 n ASP 10 Cb 0.51 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 0.79 0.00 -0.19 0.64 4.77 -1.26 -4.71 117.00 117.04 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 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 3hb7 n LEU 12 CO 0.00 0.00 1.09 0.78 -1.33 0.00 0.00 177.39 177.93 3hb7 h ASN 13 N 0.00 0.86 -0.06 -1.43 2.35 -1.32 0.98 115.58 116.95 3hb7 h ASN 13 Ca 0.00 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3hb7 h ASN 13 Cb 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3hb7 h ASN 13 CO 0.00 0.74 -0.00 0.44 -1.65 0.00 0.00 177.43 176.96 3hb7 h ASP 14 N 0.94 0.17 0.00 5.81 3.32 -1.51 -3.34 116.42 121.81 3hb7 h ASP 14 Ca 0.23 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 3hb7 h ASP 14 Cb 0.13 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3hb7 h ASP 14 CO -0.03 0.21 -1.93 0.49 -1.72 0.00 0.00 179.24 176.27 3hb7 n PHE 15 N -4.42 0.00 -5.10 4.55 3.72 -0.04 -1.73 117.46 114.43 3hb7 n PHE 15 Ca -0.01 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.07 3hb7 n PHE 15 Cb 0.15 -0.66 -0.16 0.00 -0.94 0.00 0.00 39.48 37.88 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 -2.33 2.42 0.00 -4.37 1.01 0.14 -0.43 120.40 116.84 3hb7 s VAL 16 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3hb7 s VAL 16 Cb 0.04 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.49 3hb7 s VAL 16 CO 0.54 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.81 3hb7 n GLY 17 N 3.01 2.69 0.33 4.51 0.00 -1.26 -4.64 105.19 109.83 3hb7 n GLY 17 Ca -0.18 -2.03 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 3hb7 n GLY 17 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hb7 h GLU 18 N 0.00 1.16 -0.69 1.61 4.81 -1.97 -2.96 114.58 116.54 3hb7 h GLU 18 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3hb7 h GLU 18 Cb 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3hb7 h GLU 18 CO 0.00 0.95 0.00 1.63 -0.73 0.00 0.00 179.01 180.86 3hb7 n LYS 19 N -4.29 2.90 -2.05 1.92 5.02 -1.26 -4.94 118.16 115.46 3hb7 n LYS 19 Ca 0.07 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.35 3hb7 n LYS 19 Cb 0.19 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3hb7 n LYS 19 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hb7 s ALA 20 N -1.28 3.68 0.45 7.82 0.00 -1.12 -4.91 121.76 126.41 3hb7 s ALA 20 Ca 0.47 1.25 0.27 0.00 0.00 0.00 0.00 51.96 53.95 3hb7 s ALA 20 Cb 0.26 -3.58 1.48 0.00 0.00 0.00 0.00 23.12 21.29 3hb7 s ALA 20 CO 0.30 -0.70 2.10 -1.35 0.00 0.00 0.00 175.76 176.11 3hb7 h PRO 21 N 6.69 0.00 -2.10 0.00 0.11 -1.81 -2.88 132.00 132.01 3hb7 h PRO 21 Ca -0.43 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.15 3hb7 h PRO 21 Cb 1.21 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.91 3hb7 h PRO 21 CO 0.88 0.10 -0.93 1.28 -0.21 0.00 0.00 178.00 179.13 3hb7 n LEU 22 N -3.74 2.66 -4.72 2.35 4.77 -0.71 -5.08 117.00 112.53 3hb7 n LEU 22 Ca -0.02 -5.30 -0.42 0.00 -0.03 0.00 0.00 56.01 50.24 3hb7 n LEU 22 Cb 0.21 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3hb7 n LEU 22 CO 0.30 2.30 1.21 -0.60 -1.33 0.00 0.00 177.39 179.28 3hb7 s ARG 23 N -2.96 4.22 -0.35 3.23 3.52 -1.09 -4.26 118.95 121.25 3hb7 s ARG 23 Ca 0.44 2.34 -0.06 0.00 -0.13 0.00 0.00 55.73 58.32 3hb7 s ARG 23 Cb 0.32 -3.16 0.05 0.00 -1.56 0.00 0.00 34.95 30.60 3hb7 s ARG 23 CO -0.11 -0.59 0.12 0.00 -0.81 0.00 0.00 175.30 173.91 3hb7 h PRO 25 N 8.20 0.52 0.00 0.00 0.11 -1.78 -1.41 132.00 137.64 3hb7 h PRO 25 Ca -0.22 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3hb7 h PRO 25 Cb 1.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hb7 h PRO 25 CO 0.62 0.37 -0.09 0.78 -0.21 0.00 0.00 178.00 179.46 3hb7 h GLY 26 N 0.57 0.00 1.18 -0.55 0.00 -1.72 -3.11 103.07 99.45 3hb7 h GLY 26 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3hb7 h GLY 26 CO -0.03 0.00 0.42 -1.33 0.00 0.00 0.00 176.54 175.60 3hb7 h GLY 27 N 0.37 1.14 1.42 4.60 0.00 -1.50 -1.88 103.07 107.23 3hb7 h GLY 27 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 3hb7 h GLY 27 CO 0.01 0.49 0.08 0.83 0.00 0.00 0.00 176.54 177.95 3hb7 h GLU 28 N 1.07 0.72 -0.16 4.80 5.08 -1.72 -2.93 114.58 121.45 3hb7 h GLU 28 Ca 0.27 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3hb7 h GLU 28 Cb 0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3hb7 h GLU 28 CO -0.04 0.68 -0.05 1.79 -1.00 0.00 0.00 179.01 180.39 3hb7 h THR 29 N 0.69 1.13 -0.02 1.13 1.35 -1.49 -2.97 112.91 112.75 3hb7 h THR 29 Ca 0.15 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3hb7 h THR 29 Cb 0.31 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 3hb7 h THR 29 CO 0.00 0.18 -0.15 2.30 -0.25 0.00 0.00 175.52 177.60 3hb7 n ILE 30 N -4.35 0.00 -0.33 6.82 -5.35 -1.11 -4.45 119.36 110.59 3hb7 n ILE 30 Ca -0.01 -0.26 -0.04 0.00 -0.27 0.00 0.00 62.75 62.18 3hb7 n ILE 30 Cb 0.20 0.75 0.09 0.00 -1.74 0.00 0.00 39.64 38.94 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 2.41 1.25 -0.60 7.28 2.04 -1.57 -0.67 117.51 127.66 3hb7 h ILE 31 Ca 0.00 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 3hb7 h ILE 31 Cb 0.63 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3hb7 h ILE 31 CO 0.00 0.28 0.16 -0.65 0.00 0.00 0.00 178.15 177.94 3hb7 h PRO 32 N 1.25 0.95 -0.64 2.37 0.11 -1.82 -0.72 132.00 133.50 3hb7 h PRO 32 Ca 0.32 -0.22 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3hb7 h PRO 32 Cb -0.01 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 3hb7 h PRO 32 CO -0.06 0.86 0.27 -0.44 -0.21 0.00 0.00 178.00 178.43 3hb7 h ASP 33 N 0.87 0.86 -0.43 -2.05 3.32 -1.63 -1.48 116.42 115.88 3hb7 h ASP 33 Ca 0.19 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 3hb7 h ASP 33 Cb 0.33 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3hb7 h ASP 33 CO -0.00 0.78 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.17 3hb7 h LEU 34 N 0.89 0.86 -1.18 1.55 3.38 -0.96 -2.26 115.31 117.59 3hb7 h LEU 34 Ca 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3hb7 h LEU 34 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3hb7 h LEU 34 CO -0.02 0.96 0.30 1.56 0.09 0.00 0.00 178.44 181.33 3hb7 h GLN 35 N 0.80 0.87 -0.12 1.13 4.20 -0.84 0.35 115.11 121.50 3hb7 h GLN 35 Ca 0.14 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hb7 h GLN 35 Cb 0.57 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3hb7 h GLN 35 CO 0.03 0.67 0.06 -0.22 -0.67 0.00 0.00 178.83 178.71 3hb7 h LYS 36 N 0.87 0.17 -0.75 1.46 3.64 -0.89 -1.97 116.57 119.11 3hb7 h LYS 36 Ca 0.22 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3hb7 h LYS 36 Cb 0.09 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3hb7 h LYS 36 CO -0.03 0.20 0.33 0.82 -2.27 0.00 0.00 179.45 178.51 3hb7 h ILE 37 N 0.09 1.25 -0.21 2.00 1.08 -0.59 -0.94 117.51 120.19 3hb7 h ILE 37 Ca 0.04 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 3hb7 h ILE 37 Cb 0.08 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3hb7 h ILE 37 CO -0.01 0.30 0.10 -0.26 -0.69 0.00 0.00 178.15 177.59 3hb7 h PHE 38 N 1.06 0.30 -0.67 1.37 0.05 -0.13 -1.69 116.94 117.23 3hb7 h PHE 38 Ca 0.25 -0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.99 3hb7 h PHE 38 Cb 0.16 -0.09 -0.03 0.00 2.00 0.00 0.00 35.95 37.99 3hb7 h PHE 38 CO 0.01 0.31 0.26 0.93 -0.18 0.00 0.00 178.31 179.64 3hb7 h GLU 39 N 0.20 1.01 -0.34 1.51 4.39 -1.05 0.10 114.58 120.41 3hb7 h GLU 39 Ca 0.07 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3hb7 h GLU 39 Cb 0.13 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3hb7 h GLU 39 CO -0.01 0.85 0.16 2.35 -1.16 0.00 0.00 179.01 181.20 3hb7 h TRP 40 N 0.95 0.49 -0.26 4.33 7.01 -0.97 -1.02 115.95 126.47 3hb7 h TRP 40 Ca 0.22 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 3hb7 h TRP 40 Cb 0.22 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 3hb7 h TRP 40 CO 0.02 0.42 -0.02 0.28 -2.79 0.00 0.00 178.44 176.34 3hb7 h VAL 41 N 0.41 1.27 0.00 2.65 2.07 -1.14 -2.46 116.25 119.05 3hb7 h VAL 41 Ca 0.12 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3hb7 h VAL 41 Cb 0.11 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3hb7 h VAL 41 CO -0.01 0.31 -0.13 0.03 0.02 0.00 0.00 177.57 177.78 3hb7 h ARG 42 N 0.25 0.00 -0.01 1.57 3.08 -0.78 -1.55 114.38 116.93 3hb7 h ARG 42 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hb7 h ARG 42 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hb7 h ARG 42 CO 0.02 0.13 -0.42 0.41 -1.07 0.00 0.00 179.97 179.04 3hb7 n GLY 43 N -0.83 -0.49 3.78 0.04 0.00 -0.41 -4.97 105.19 102.31 3hb7 n GLY 43 Ca -0.02 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 3hb7 n GLY 43 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hb7 s ARG 44 N -2.59 2.42 -0.23 1.61 3.52 -0.59 -4.99 118.95 118.11 3hb7 s ARG 44 Ca 0.20 1.04 -0.16 0.00 -0.13 0.00 0.00 55.73 56.68 3hb7 s ARG 44 Cb 0.18 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.61 3hb7 s ARG 44 CO 0.59 -1.49 0.40 -1.83 -0.81 0.00 0.00 175.30 172.16 3hb7 s GLU 45 N -4.97 4.11 0.34 5.12 4.04 -1.26 -4.92 118.70 121.16 3hb7 s GLU 45 Ca 0.60 0.16 0.00 0.00 0.04 0.00 0.00 54.97 55.77 3hb7 s GLU 45 Cb -0.16 -3.59 0.00 0.00 0.02 0.00 0.00 34.13 30.40 3hb7 s GLU 45 CO 0.56 -0.15 0.00 0.41 -1.84 0.00 0.00 175.26 174.23 3hb7 n GLY 46 N 4.23 -1.82 2.26 -3.83 0.00 -1.26 -4.74 105.19 100.03 3hb7 n GLY 46 Ca -0.08 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 0.34 3.58 0.29 1.61 9.92 -1.26 -4.76 116.55 126.26 3hb7 n ASP 47 Ca 0.00 -3.11 0.18 0.00 -0.53 0.00 0.00 54.79 51.33 3hb7 n ASP 47 Cb 0.00 -0.39 0.83 0.00 -0.64 0.00 0.00 41.12 40.91 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 2.28 0.00 -3.64 -2.24 3.32 -1.90 -3.43 116.42 110.81 3hb7 h ASP 48 Ca 0.17 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.81 3hb7 h ASP 48 Cb 1.43 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.66 3hb7 h ASP 48 CO 0.52 0.02 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.66 3hb7 s ILE 49 N -3.85 0.61 0.15 0.35 1.01 -1.26 -1.44 121.20 116.77 3hb7 s ILE 49 Ca -0.01 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3hb7 s ILE 49 Cb 0.10 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3hb7 s ILE 49 CO 0.52 0.22 -0.09 -1.00 0.00 0.00 0.00 174.94 174.58 3hb7 s HIS 50 N 0.51 2.69 -0.22 3.97 3.76 -0.01 -4.98 115.29 121.01 3hb7 s HIS 50 Ca -0.07 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.59 3hb7 s HIS 50 Cb -0.11 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.20 3hb7 s HIS 50 CO 0.00 0.47 0.03 -0.51 -0.85 0.00 0.00 174.74 173.89 3hb7 s LEU 51 N -2.55 3.36 -0.10 0.89 1.43 -1.26 -0.46 118.68 119.98 3hb7 s LEU 51 Ca 0.23 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 3hb7 s LEU 51 Cb -0.10 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3hb7 s LEU 51 CO 0.15 0.03 -0.23 -0.69 0.23 0.00 0.00 176.35 175.84 3hb7 s VAL 52 N 1.22 1.97 -0.19 -1.59 1.01 -0.50 -3.69 120.40 118.64 3hb7 s VAL 52 Ca 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3hb7 s VAL 52 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3hb7 s VAL 52 CO 0.02 0.54 -0.01 -1.00 0.00 0.00 0.00 175.10 174.65 3hb7 s HIS 53 N 0.38 3.04 -0.20 5.22 0.09 -0.37 -0.96 115.29 122.48 3hb7 s HIS 53 Ca -0.18 -0.40 -0.02 0.00 -0.00 0.00 0.00 55.06 54.45 3hb7 s HIS 53 Cb -0.18 -2.04 -0.00 0.00 -0.00 0.00 0.00 32.58 30.36 3hb7 s HIS 53 CO 0.08 -0.17 -0.10 0.42 -0.00 0.00 0.00 174.74 174.98 3hb7 s ILE 54 N 0.78 2.96 -0.10 0.60 1.01 -0.32 -0.84 121.20 125.28 3hb7 s ILE 54 Ca -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3hb7 s ILE 54 Cb -0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.02 3hb7 s ILE 54 CO 0.02 0.46 -0.22 0.00 0.00 0.00 0.00 174.94 175.20 3hb7 s GLN 55 N 1.35 2.85 0.19 2.79 -2.07 0.42 -1.84 119.66 123.35 3hb7 s GLN 55 Ca 0.04 -0.81 -0.31 0.00 -1.82 0.00 0.00 55.36 52.46 3hb7 s GLN 55 Cb -0.14 -2.20 -0.10 0.00 -1.09 0.00 0.00 33.01 29.48 3hb7 s GLN 55 CO -0.06 0.12 1.55 -2.00 -1.32 0.00 0.00 175.29 173.58 3hb7 s GLU 56 N 0.48 4.22 -0.43 9.60 2.12 -1.26 -1.98 118.70 131.45 3hb7 s GLU 56 Ca -0.16 2.36 0.05 0.00 0.36 0.00 0.00 54.97 57.58 3hb7 s GLU 56 Cb -0.17 -3.14 0.18 0.00 0.26 0.00 0.00 34.13 31.26 3hb7 s GLU 56 CO 0.06 -0.58 0.44 0.00 -0.54 0.00 0.00 175.26 174.65 3hb7 n ALA 57 N 3.60 1.82 -1.43 6.30 0.00 -0.09 -4.67 120.51 126.04 3hb7 n ALA 57 Ca 0.12 -2.69 -0.31 0.00 0.00 0.00 0.00 53.44 50.56 3hb7 n ALA 57 Cb 0.39 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 19.00 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 0.11 2.86 0.66 0.00 3.76 0.58 -4.28 115.29 118.98 3hb7 s HIS 58 Ca 0.33 1.45 -0.15 0.00 -0.15 0.00 0.00 55.06 56.54 3hb7 s HIS 58 Cb 0.05 -2.97 -0.00 0.00 1.11 0.00 0.00 32.58 30.77 3hb7 s HIS 58 CO -0.16 -1.53 1.10 1.03 -0.85 0.00 0.00 174.74 174.32 3hb7 s ARG 59 N -4.99 2.86 0.95 1.40 0.52 -1.26 -1.23 118.95 117.19 3hb7 s ARG 59 Ca 0.60 1.32 -0.15 0.00 -0.52 0.00 0.00 55.73 56.98 3hb7 s ARG 59 Cb -0.15 -1.96 0.17 0.00 0.52 0.00 0.00 34.95 33.53 3hb7 s ARG 59 CO 0.55 -1.19 1.25 -1.59 0.02 0.00 0.00 175.30 174.34 3hb7 s LYS 60 N -4.19 0.80 0.19 3.54 -2.85 -1.26 -4.86 119.74 111.11 3hb7 s LYS 60 Ca 0.66 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.44 3hb7 s LYS 60 Cb -0.19 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 3hb7 s LYS 60 CO 0.42 -2.34 0.00 -1.71 0.10 0.00 0.00 175.35 171.82 3hb7 n ASN 61 N -3.77 -5.32 0.00 0.03 2.85 -1.26 -5.17 115.26 102.62 3hb7 n ASN 61 Ca 0.12 0.62 0.00 0.00 -0.11 0.00 0.00 54.58 55.21 3hb7 n ASN 61 Cb 0.60 -1.78 0.00 0.00 1.24 0.00 0.00 39.78 39.83 3hb7 n ASN 61 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 3hb7 n ARG 66 N -0.17 0.00 -4.94 1.20 1.85 -1.26 -5.12 116.66 108.22 3hb7 n ARG 66 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.58 3hb7 n ARG 66 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 3hb7 n ARG 66 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hb7 s VAL 67 N 0.00 1.57 0.12 8.89 1.01 -1.26 -5.10 120.40 125.64 3hb7 s VAL 67 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3hb7 s VAL 67 Cb 0.00 -1.34 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 3hb7 s VAL 67 CO 0.00 0.45 1.41 -0.13 0.00 0.00 0.00 175.10 176.83 3hb7 s ARG 68 N -0.11 4.31 -1.37 2.72 0.52 -1.26 -4.88 118.95 118.88 3hb7 s ARG 68 Ca -0.01 2.11 -0.12 0.00 -0.52 0.00 0.00 55.73 57.19 3hb7 s ARG 68 Cb -0.11 -3.24 0.11 0.00 0.52 0.00 0.00 34.95 32.23 3hb7 s ARG 68 CO 0.02 -0.46 2.04 -0.35 0.02 0.00 0.00 175.30 176.57 3hb7 n PRO 69 N 3.97 3.25 -0.13 3.54 -0.04 -1.26 -4.66 135.00 139.67 3hb7 n PRO 69 Ca 0.12 -3.08 0.12 0.00 -0.04 0.00 0.00 63.50 60.61 3hb7 n PRO 69 Cb 0.42 -3.11 0.21 0.00 -0.04 0.00 0.00 33.50 30.98 3hb7 n PRO 69 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hb7 n LEU 70 N 5.00 3.16 -4.07 1.53 4.77 -1.26 -4.95 117.00 121.19 3hb7 n LEU 70 Ca 0.46 -1.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.03 3hb7 n LEU 70 Cb 0.38 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 3hb7 n LEU 70 CO 0.86 0.64 -0.39 -1.00 -1.33 0.00 0.00 177.39 176.17 3hb7 s HIS 71 N -1.65 0.63 0.09 -1.77 3.76 -1.26 -5.11 115.29 109.99 3hb7 s HIS 71 Ca 0.36 -0.59 -0.31 0.00 -0.15 0.00 0.00 55.06 54.37 3hb7 s HIS 71 Cb 0.22 -0.39 -0.07 0.00 1.11 0.00 0.00 32.58 33.45 3hb7 s HIS 71 CO 0.31 -0.12 1.29 0.00 -0.85 0.00 0.00 174.74 175.36 3hb7 s ALA 72 N -1.84 3.48 -0.09 -1.40 0.00 -1.26 -4.93 121.76 115.72 3hb7 s ALA 72 Ca -0.07 0.98 -0.05 0.00 0.00 0.00 0.00 51.96 52.82 3hb7 s ALA 72 Cb -0.07 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3hb7 s ALA 72 CO -0.01 -0.51 0.13 0.08 0.00 0.00 0.00 175.76 175.45 3hb7 s VAL 73 N 1.01 5.33 0.21 0.00 1.01 -1.26 -0.30 120.40 126.40 3hb7 s VAL 73 Ca 0.61 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.33 3hb7 s VAL 73 Cb -0.33 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 3hb7 s VAL 73 CO 0.30 0.54 1.68 -0.75 0.00 0.00 0.00 175.10 176.88 3hb7 s LYS 74 N -1.24 4.14 0.00 2.72 2.20 -0.37 -2.45 119.74 124.74 3hb7 s LYS 74 Ca 0.18 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 3hb7 s LYS 74 Cb -0.12 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 3hb7 s LYS 74 CO 0.07 -0.72 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 3hb7 n GLY 75 N 3.70 2.17 3.89 5.54 0.00 -1.26 -4.95 105.19 114.28 3hb7 n GLY 75 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.57 3.09 0.26 2.61 -4.23 -1.03 -4.98 115.64 108.80 3hb7 s THR 76 Ca 0.00 0.30 -0.04 0.00 -1.18 0.00 0.00 61.69 60.78 3hb7 s THR 76 Cb 0.00 -3.34 0.17 0.00 1.34 0.00 0.00 72.50 70.67 3hb7 s THR 76 CO 0.00 -0.44 1.83 -0.25 -0.54 0.00 0.00 174.62 175.21 3hb7 h TRP 77 N -0.72 1.02 -0.72 3.99 7.01 -1.96 -2.95 115.95 121.63 3hb7 h TRP 77 Ca -0.45 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.46 3hb7 h TRP 77 Cb 1.27 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.99 3hb7 h TRP 77 CO 0.45 0.79 0.38 0.78 -2.79 0.00 0.00 178.44 178.05 3hb7 h GLY 78 N 1.06 1.06 1.86 2.65 0.00 -1.92 -2.33 103.07 105.46 3hb7 h GLY 78 Ca 0.23 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 3hb7 h GLY 78 CO -0.02 0.46 -0.24 0.23 0.00 0.00 0.00 176.54 176.97 3hb7 h SER 79 N 1.00 0.17 -4.19 0.19 0.87 -1.67 -1.42 113.55 108.50 3hb7 h SER 79 Ca 0.25 -0.04 -0.51 0.00 -1.23 0.00 0.00 61.79 60.26 3hb7 h SER 79 Cb 0.04 -0.04 0.10 0.00 -0.44 0.00 0.00 62.40 62.05 3hb7 h SER 79 CO -0.04 0.42 0.38 -0.62 -0.53 0.00 0.00 176.83 176.44 3hb7 s ASP 80 N -6.90 5.18 0.53 6.23 2.15 -0.88 -4.75 116.67 118.23 3hb7 s ASP 80 Ca -0.05 2.02 -0.21 0.00 0.43 0.00 0.00 52.55 54.75 3hb7 s ASP 80 Cb 0.15 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.16 3hb7 s ASP 80 CO 0.74 -1.58 1.18 -0.36 -0.17 0.00 0.00 175.17 174.97 3hb7 s PHE 81 N -2.27 2.63 0.44 -5.34 0.08 -1.26 -2.07 117.98 110.19 3hb7 s PHE 81 Ca 0.68 1.52 -0.24 0.00 0.12 0.00 0.00 56.93 59.01 3hb7 s PHE 81 Cb -0.21 -3.41 -0.08 0.00 -0.57 0.00 0.00 43.02 38.76 3hb7 s PHE 81 CO 0.40 -1.83 1.21 0.96 -0.10 0.00 0.00 175.22 175.86 3hb7 s ILE 82 N -1.61 2.93 0.38 0.64 -4.36 -1.26 -4.70 121.20 113.22 3hb7 s ILE 82 Ca 0.71 0.74 0.07 0.00 -0.26 0.00 0.00 60.65 61.91 3hb7 s ILE 82 Cb -0.28 -3.40 0.20 0.00 1.25 0.00 0.00 42.46 40.23 3hb7 s ILE 82 CO 0.33 0.03 1.96 -0.65 0.24 0.00 0.00 174.94 176.84 3hb7 h PRO 83 N 2.23 0.43 -0.20 0.37 0.11 -1.97 -0.73 132.00 132.25 3hb7 h PRO 83 Ca -0.49 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3hb7 h PRO 83 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hb7 h PRO 83 CO 0.61 0.42 -0.02 0.93 -0.21 0.00 0.00 178.00 179.73 3hb7 h GLU 84 N 0.42 0.29 -0.02 1.05 3.07 -2.01 -2.57 114.58 114.81 3hb7 h GLU 84 Ca 0.10 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 3hb7 h GLU 84 Cb 0.20 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3hb7 h GLU 84 CO -0.00 0.33 -0.35 1.28 -1.40 0.00 0.00 179.01 178.88 3hb7 n LEU 85 N -4.35 2.69 -4.77 1.33 4.77 -0.38 -4.92 117.00 111.37 3hb7 n LEU 85 Ca -0.00 -3.68 -0.38 0.00 -0.03 0.00 0.00 56.01 51.92 3hb7 n LEU 85 Cb 0.20 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 3hb7 n LEU 85 CO 0.37 1.21 0.87 -0.47 -1.33 0.00 0.00 177.39 178.04 3hb7 s TYR 86 N -3.14 2.76 0.39 -1.77 6.14 -0.58 -4.81 117.35 116.35 3hb7 s TYR 86 Ca 0.37 1.49 -0.26 0.00 0.64 0.00 0.00 57.07 59.32 3hb7 s TYR 86 Cb 0.35 -3.49 -0.09 0.00 0.42 0.00 0.00 41.96 39.15 3hb7 s TYR 86 CO -0.04 -1.83 1.16 -2.14 0.64 0.00 0.00 175.55 173.34 3hb7 s PRO 87 N -2.68 4.11 0.16 4.97 0.02 -1.26 -5.06 135.00 135.26 3hb7 s PRO 87 Ca 0.64 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.53 3hb7 s PRO 87 Cb -0.32 -2.72 -0.04 0.00 0.02 0.00 0.00 34.50 31.45 3hb7 s PRO 87 CO 0.39 -0.26 0.18 -0.65 -0.33 0.00 0.00 177.00 176.33 3hb7 s GLN 88 N -2.23 3.08 0.58 5.54 -0.21 -1.26 -5.01 119.66 120.14 3hb7 s GLN 88 Ca 0.56 -0.77 0.28 0.00 0.02 0.00 0.00 55.36 55.45 3hb7 s GLN 88 Cb -0.30 -2.75 1.71 0.00 1.00 0.00 0.00 33.01 32.66 3hb7 s GLN 88 CO 0.38 0.50 2.18 0.93 -2.12 0.00 0.00 175.29 177.16 3hb7 h GLU 89 N 2.35 0.00 -0.00 2.91 3.07 -2.04 0.12 114.58 120.99 3hb7 h GLU 89 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3hb7 h GLU 89 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3hb7 h GLU 89 CO 0.65 0.00 -0.03 -0.40 -1.40 0.00 0.00 179.01 177.83 3hb7 n ASP 90 N -3.88 0.40 -4.57 1.42 3.85 -1.26 -4.87 116.55 107.64 3hb7 n ASP 90 Ca -0.01 -0.89 -0.35 0.00 -0.71 0.00 0.00 54.79 52.83 3hb7 n ASP 90 Cb 0.20 -0.05 -0.11 0.00 -1.35 0.00 0.00 41.12 39.81 3hb7 n ASP 90 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3hb7 s GLU 91 N -2.18 3.87 0.30 0.11 2.02 0.41 -5.04 118.70 118.19 3hb7 s GLU 91 Ca 0.39 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.70 3hb7 s GLU 91 Cb 0.21 -3.25 -0.10 0.00 0.10 0.00 0.00 34.13 31.09 3hb7 s GLU 91 CO 0.40 0.13 1.33 -0.47 0.02 0.00 0.00 175.26 176.66 3hb7 s TYR 92 N 0.77 3.07 -0.06 1.61 5.04 -1.24 -4.82 117.35 121.71 3hb7 s TYR 92 Ca 0.03 1.33 0.06 0.00 -2.44 0.00 0.00 57.07 56.05 3hb7 s TYR 92 Cb -0.13 -3.69 -0.01 0.00 0.35 0.00 0.00 41.96 38.47 3hb7 s TYR 92 CO 0.02 -1.99 -0.24 0.42 -1.34 0.00 0.00 175.55 172.42 3hb7 s ILE 93 N -0.81 2.17 -0.13 3.14 1.01 -1.26 -1.24 121.20 124.08 3hb7 s ILE 93 Ca 0.51 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3hb7 s ILE 93 Cb -0.40 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3hb7 s ILE 93 CO 0.50 0.57 -0.20 -0.69 0.00 0.00 0.00 174.94 175.12 3hb7 s VAL 94 N -0.14 1.86 -0.07 2.92 1.01 -0.02 -4.95 120.40 121.01 3hb7 s VAL 94 Ca -0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 3hb7 s VAL 94 Cb -0.14 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3hb7 s VAL 94 CO 0.04 0.51 0.30 0.00 0.00 0.00 0.00 175.10 175.95 3hb7 s GLN 95 N 0.83 3.82 0.06 2.72 0.00 -1.26 -0.43 119.66 125.39 3hb7 s GLN 95 Ca -0.08 0.18 0.05 0.00 -0.00 0.00 0.00 55.36 55.51 3hb7 s GLN 95 Cb -0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 33.01 29.58 3hb7 s GLN 95 CO -0.01 0.64 -0.15 -1.59 0.00 0.00 0.00 175.29 174.18 3hb7 s LYS 96 N -0.79 0.91 0.00 9.60 -2.85 -0.84 -4.88 119.74 120.89 3hb7 s LYS 96 Ca 0.20 -0.90 0.10 0.00 -1.00 0.00 0.00 55.97 54.36 3hb7 s LYS 96 Cb -0.14 -0.95 0.14 0.00 -2.06 0.00 0.00 37.83 34.81 3hb7 s LYS 96 CO 0.09 0.22 0.94 0.54 0.10 0.00 0.00 175.35 177.24 3hb7 n ARG 97 N 1.51 1.11 -4.23 1.78 1.74 -1.26 -0.91 116.66 116.40 3hb7 n ARG 97 Ca -0.20 -1.36 -0.20 0.00 -0.77 0.00 0.00 57.85 55.33 3hb7 n ARG 97 Cb 0.54 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.52 0.43 0.05 5.56 5.12 -1.26 -4.91 116.66 122.17 3hb7 n ARG 98 Ca 0.07 -3.31 -0.13 0.00 -1.93 0.00 0.00 57.85 52.56 3hb7 n ARG 98 Cb 0.30 2.56 -0.08 0.00 -1.16 0.00 0.00 32.46 34.08 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 1.99 -0.06 -3.94 -1.55 3.86 -1.95 -3.44 115.15 110.07 3hb7 h HIS 99 Ca -0.25 -0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.47 3hb7 h HIS 99 Cb 1.19 0.02 0.03 0.00 1.06 0.00 0.00 27.41 29.70 3hb7 h HIS 99 CO 0.00 0.06 0.44 0.45 0.86 0.00 0.00 177.93 179.74 3hb7 s SER 100 N -5.24 6.77 0.50 2.45 0.15 -1.26 -4.70 113.70 112.37 3hb7 s SER 100 Ca -0.14 2.14 0.22 0.00 0.70 0.00 0.00 55.95 58.87 3hb7 s SER 100 Cb 0.05 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 63.06 3hb7 s SER 100 CO 0.66 -0.49 2.06 1.23 1.20 0.00 0.00 173.24 177.90 3hb7 h GLY 101 N 2.71 0.00 1.50 9.45 0.00 -1.85 -2.71 103.07 112.17 3hb7 h GLY 101 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3hb7 h GLY 101 CO 0.63 0.00 -0.40 0.74 0.00 0.00 0.00 176.54 177.51 3hb7 h PHE 102 N 0.00 0.00 -3.38 5.60 0.04 -1.92 -3.41 116.94 113.87 3hb7 h PHE 102 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 3hb7 h PHE 102 Cb 0.28 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.34 3hb7 h PHE 102 CO 0.00 0.00 0.65 0.00 -0.60 0.00 0.00 178.31 178.36 3hb7 s ALA 103 N -3.17 3.49 -1.53 2.45 0.00 -1.02 -3.26 121.76 118.72 3hb7 s ALA 103 Ca 0.07 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 3hb7 s ALA 103 Cb 0.12 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3hb7 s ALA 103 CO 0.68 -1.41 0.62 0.72 0.00 0.00 0.00 175.76 176.38 3hb7 n HIS 104 N 6.62 -2.00 -4.58 0.00 8.25 -1.26 -4.63 115.22 117.62 3hb7 n HIS 104 Ca 0.08 0.54 -0.27 0.00 -0.26 0.00 0.00 57.72 57.81 3hb7 n HIS 104 Cb 0.48 -4.38 -0.09 0.00 1.12 0.00 0.00 29.99 27.11 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 -3.16 1.11 -0.27 1.59 -4.23 -1.20 -4.96 115.64 104.52 3hb7 s THR 105 Ca 0.33 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.96 3hb7 s THR 105 Cb -0.15 -2.52 0.78 0.00 1.34 0.00 0.00 72.50 71.96 3hb7 s THR 105 CO 0.40 0.00 1.76 -0.90 -0.54 0.00 0.00 174.62 175.34 3hb7 n ASP 106 N -1.08 5.33 -0.13 3.99 3.85 -1.26 -4.63 116.55 122.62 3hb7 n ASP 106 Ca -0.08 -3.05 -0.09 0.00 -0.71 0.00 0.00 54.79 50.85 3hb7 n ASP 106 Cb 0.66 -0.70 -0.01 0.00 -1.35 0.00 0.00 41.12 39.72 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 3.41 0.55 -0.65 -2.12 5.85 -1.88 -2.49 115.31 117.98 3hb7 h LEU 107 Ca 0.09 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hb7 h LEU 107 Cb 2.08 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 3hb7 h LEU 107 CO 0.57 0.60 0.41 -0.78 -0.34 0.00 0.00 178.44 178.90 3hb7 h ASP 108 N 0.47 0.76 -0.77 1.25 3.58 -1.90 -1.62 116.42 118.20 3hb7 h ASP 108 Ca 0.12 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 3hb7 h ASP 108 Cb 0.24 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 3hb7 h ASP 108 CO -0.01 0.58 0.43 0.25 -2.88 0.00 0.00 179.24 177.61 3hb7 h LEU 109 N 0.88 0.95 -0.58 2.28 5.85 -1.86 -0.81 115.31 122.02 3hb7 h LEU 109 Ca 0.24 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hb7 h LEU 109 Cb -0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 3hb7 h LEU 109 CO -0.05 0.77 0.30 0.22 -0.34 0.00 0.00 178.44 179.34 3hb7 h TYR 110 N 1.06 0.81 -0.61 1.25 3.20 -1.12 0.22 116.97 121.78 3hb7 h TYR 110 Ca 0.27 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 3hb7 h TYR 110 Cb 0.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3hb7 h TYR 110 CO -0.00 0.60 0.08 -0.07 -1.64 0.00 0.00 178.16 177.13 3hb7 h LEU 111 N 0.78 0.97 -0.63 2.82 4.07 -0.71 -1.28 115.31 121.33 3hb7 h LEU 111 Ca 0.20 -0.27 -0.06 0.00 0.08 0.00 0.00 57.88 57.83 3hb7 h LEU 111 Cb 0.07 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 3hb7 h LEU 111 CO -0.03 1.00 0.14 0.11 -1.08 0.00 0.00 178.44 178.58 3hb7 h LYS 112 N 0.92 1.02 -0.83 1.13 1.57 -0.97 -0.67 116.57 118.74 3hb7 h LYS 112 Ca 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3hb7 h LYS 112 Cb 0.45 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3hb7 h LYS 112 CO 0.01 0.93 0.40 0.93 -0.57 0.00 0.00 179.45 181.15 3hb7 h GLU 113 N 0.94 1.19 -0.09 3.15 5.08 -0.24 -2.36 114.58 122.25 3hb7 h GLU 113 Ca 0.20 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hb7 h GLU 113 Cb 0.37 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hb7 h GLU 113 CO 0.00 0.92 0.00 0.39 -1.00 0.00 0.00 179.01 179.32 3hb7 n GLU 114 N -4.33 1.72 -3.60 2.33 -0.58 -0.51 -4.94 120.64 110.73 3hb7 n GLU 114 Ca 0.08 -1.06 -0.23 0.00 -0.42 0.00 0.00 57.16 55.53 3hb7 n GLU 114 Cb 0.14 -1.44 0.07 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.16 -0.49 3.74 0.62 0.00 -0.72 -4.96 105.19 104.54 3hb7 n GLY 115 Ca 0.18 0.21 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.34 5.16 -0.29 -0.61 1.01 -0.34 -4.70 121.20 118.09 3hb7 s ILE 116 Ca 0.43 0.93 0.08 0.00 0.00 0.00 0.00 60.65 62.09 3hb7 s ILE 116 Cb -0.19 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 3hb7 s ILE 116 CO 0.74 0.37 0.31 -0.90 0.00 0.00 0.00 174.94 175.46 3hb7 n ASP 117 N 3.35 1.08 -4.03 3.58 3.85 -0.99 -4.73 116.55 118.66 3hb7 n ASP 117 Ca -0.08 -0.51 -0.19 0.00 -0.71 0.00 0.00 54.79 53.29 3hb7 n ASP 117 Cb 0.52 1.10 -0.15 0.00 -1.35 0.00 0.00 41.12 41.24 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 -1.99 0.76 -0.05 2.12 2.01 -1.11 -1.83 115.64 115.56 3hb7 s THR 118 Ca 0.01 -0.41 0.05 0.00 0.31 0.00 0.00 61.69 61.66 3hb7 s THR 118 Cb 0.06 -0.64 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 3hb7 s THR 118 CO 0.34 0.22 -0.20 0.68 -0.69 0.00 0.00 174.62 174.97 3hb7 s VAL 119 N -0.21 2.55 -0.09 3.82 -7.23 -0.18 -1.55 120.40 117.51 3hb7 s VAL 119 Ca 0.03 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.34 3hb7 s VAL 119 Cb -0.04 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 3hb7 s VAL 119 CO -0.00 0.58 -0.24 0.54 -0.31 0.00 0.00 175.10 175.66 3hb7 s VAL 120 N -0.51 2.05 -0.16 1.32 0.11 0.86 -1.06 120.40 123.01 3hb7 s VAL 120 Ca 0.07 -1.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.03 3hb7 s VAL 120 Cb -0.11 -1.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3hb7 s VAL 120 CO 0.01 0.56 0.05 -0.76 -3.33 0.00 0.00 175.10 171.63 3hb7 s LEU 121 N 0.26 3.78 0.10 2.54 1.02 0.14 -0.33 118.68 126.18 3hb7 s LEU 121 Ca -0.16 0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.05 3hb7 s LEU 121 Cb -0.17 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 3hb7 s LEU 121 CO 0.08 0.23 0.09 0.42 0.02 0.00 0.00 176.35 177.19 3hb7 s THR 122 N 0.04 0.15 0.00 5.49 -4.23 -0.53 -2.71 115.64 113.85 3hb7 s THR 122 Ca 0.05 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3hb7 s THR 122 Cb -0.12 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.04 3hb7 s THR 122 CO 0.01 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 3hb7 n GLY 123 N -0.03 -0.38 3.00 3.99 0.00 -0.92 -1.12 105.19 109.71 3hb7 n GLY 123 Ca -0.11 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 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 0.13 0.38 1.61 1.01 -0.66 -2.36 120.40 120.51 3hb7 s VAL 124 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 3hb7 s VAL 124 Cb 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 3hb7 s VAL 124 CO 0.00 -0.57 0.77 0.26 0.00 0.00 0.00 175.10 175.56 3hb7 s TRP 125 N -1.81 3.44 0.18 5.22 0.52 -1.26 -4.39 118.94 120.84 3hb7 s TRP 125 Ca -0.13 1.12 -0.12 0.00 0.02 0.00 0.00 56.10 56.99 3hb7 s TRP 125 Cb -0.07 -2.49 0.09 0.00 -1.15 0.00 0.00 33.47 29.85 3hb7 s TRP 125 CO -0.02 -0.05 1.81 1.15 0.02 0.00 0.00 176.95 179.86 3hb7 h THR 126 N 1.37 1.19 -0.02 2.01 2.02 -1.47 -1.26 112.91 116.76 3hb7 h THR 126 Ca -0.47 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3hb7 h THR 126 Cb 1.18 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3hb7 h THR 126 CO 0.64 0.20 -0.02 -0.46 0.37 0.00 0.00 175.52 176.25 3hb7 n ASN 127 N -4.59 1.55 0.00 4.18 2.04 -1.26 -2.13 115.26 115.05 3hb7 n ASN 127 Ca 0.04 -1.48 0.00 0.00 -0.44 0.00 0.00 54.58 52.70 3hb7 n ASN 127 Cb 0.07 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 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 0.18 0.00 -0.11 3.53 0.31 -0.97 -4.65 118.33 116.61 3hb7 n VAL 128 Ca 0.18 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.48 3hb7 n VAL 128 Cb 0.37 0.00 0.18 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.76 1.24 -0.59 0.00 2.07 -1.44 -2.47 116.25 115.82 3hb7 h VAL 130 Ca 0.16 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 3hb7 h VAL 130 Cb 0.36 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3hb7 h VAL 130 CO 0.01 0.30 0.27 -0.09 0.02 0.00 0.00 177.57 178.08 3hb7 h ARG 131 N 0.57 0.86 -0.59 1.57 9.65 -1.07 -1.53 114.38 123.84 3hb7 h ARG 131 Ca 0.13 -0.14 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3hb7 h ARG 131 Cb 0.36 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 3hb7 h ARG 131 CO 0.01 0.71 0.17 1.03 2.80 0.00 0.00 179.97 184.69 3hb7 h SER 132 N 0.81 0.87 -0.70 -3.80 0.87 -1.14 -0.92 113.55 109.53 3hb7 h SER 132 Ca 0.20 -0.21 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 3hb7 h SER 132 Cb 0.15 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3hb7 h SER 132 CO -0.02 0.85 0.32 0.74 -0.53 0.00 0.00 176.83 178.19 3hb7 h THR 133 N 0.84 1.24 -0.64 2.23 2.02 -1.37 -2.50 112.91 114.72 3hb7 h THR 133 Ca 0.19 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 3hb7 h THR 133 Cb 0.30 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3hb7 h THR 133 CO -0.00 0.29 0.23 0.00 0.37 0.00 0.00 175.52 176.40 3hb7 h ALA 134 N 1.15 0.84 -0.67 6.16 0.00 -0.69 -2.18 119.26 123.88 3hb7 h ALA 134 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hb7 h ALA 134 Cb 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hb7 h ALA 134 CO -0.03 0.48 0.29 1.15 0.00 0.00 0.00 179.25 181.14 3hb7 h THR 135 N 0.91 1.23 -0.46 0.00 2.02 -1.06 -2.71 112.91 112.85 3hb7 h THR 135 Ca 0.21 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 3hb7 h THR 135 Cb 0.25 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3hb7 h THR 135 CO -0.01 0.28 0.03 0.44 0.37 0.00 0.00 175.52 176.63 3hb7 h ASP 136 N 0.94 0.70 -0.37 4.18 5.19 -1.29 -2.04 116.42 123.73 3hb7 h ASP 136 Ca 0.23 -0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3hb7 h ASP 136 Cb 0.17 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 3hb7 h ASP 136 CO -0.02 0.75 0.15 0.00 -3.12 0.00 0.00 179.24 176.99 3hb7 h ALA 137 N 1.34 0.48 -0.85 3.45 0.00 -1.12 -1.75 119.26 120.81 3hb7 h ALA 137 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hb7 h ALA 137 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3hb7 h ALA 137 CO 0.01 0.09 0.41 1.25 0.00 0.00 0.00 179.25 181.01 3hb7 h LEU 138 N 0.45 1.10 -2.14 0.00 7.12 -1.43 -1.04 115.31 119.37 3hb7 h LEU 138 Ca 0.12 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 3hb7 h LEU 138 Cb 0.19 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 3hb7 h LEU 138 CO -0.01 0.92 -0.06 0.00 -0.13 0.00 0.00 178.44 179.16 3hb7 h ALA 139 N 1.25 1.17 -0.48 1.25 0.00 -1.04 -1.15 119.26 120.25 3hb7 h ALA 139 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 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 -0.04 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3hb7 n ASN 140 N -3.40 4.66 -0.48 0.00 3.02 -0.66 -4.94 115.26 113.45 3hb7 n ASN 140 Ca -0.02 -2.73 -0.06 0.00 -0.03 0.00 0.00 54.58 51.74 3hb7 n ASN 140 Cb 0.20 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 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 0.42 -0.10 -1.89 5.41 0.00 -0.43 -5.01 120.51 118.91 3hb7 n ALA 141 Ca 0.24 0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.44 3hb7 n ALA 141 Cb 0.95 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.17 3.39 0.37 0.00 2.02 -0.49 -4.99 117.35 115.47 3hb7 s TYR 142 Ca 0.00 1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 58.00 3hb7 s TYR 142 Cb 0.00 -2.79 -0.10 0.00 -0.40 0.00 0.00 41.96 38.67 3hb7 s TYR 142 CO 0.00 -0.01 0.99 0.15 -1.57 0.00 0.00 175.55 175.11 3hb7 s LYS 143 N -2.94 4.38 -0.07 -0.62 1.02 -0.76 -4.18 119.74 116.56 3hb7 s LYS 143 Ca 0.58 1.39 0.04 0.00 0.02 0.00 0.00 55.97 58.00 3hb7 s LYS 143 Cb -0.11 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 3hb7 s LYS 143 CO 0.16 0.07 -0.19 0.08 -0.92 0.00 0.00 175.35 174.55 3hb7 s VAL 144 N -1.69 1.67 -0.08 3.17 1.01 -1.26 -1.01 120.40 122.20 3hb7 s VAL 144 Ca 0.54 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3hb7 s VAL 144 Cb -0.19 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3hb7 s VAL 144 CO 0.24 0.47 -0.22 -0.63 0.00 0.00 0.00 175.10 174.97 3hb7 s ILE 145 N 0.32 2.34 -0.15 2.22 1.01 -0.22 -1.67 121.20 125.04 3hb7 s ILE 145 Ca -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 60.65 59.56 3hb7 s ILE 145 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3hb7 s ILE 145 CO 0.06 0.56 -0.10 -0.89 0.00 0.00 0.00 174.94 174.57 3hb7 s THR 146 N -0.01 3.20 -0.45 2.92 2.01 0.12 -0.68 115.64 122.75 3hb7 s THR 146 Ca -0.07 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.14 3hb7 s THR 146 Cb -0.15 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.02 3hb7 s THR 146 CO 0.05 0.50 0.58 -0.76 -0.69 0.00 0.00 174.62 174.30 3hb7 s LEU 147 N 0.61 4.72 0.28 4.42 1.02 -1.10 -4.22 118.68 124.41 3hb7 s LEU 147 Ca -0.06 -0.57 -0.00 0.00 0.02 0.00 0.00 54.13 53.51 3hb7 s LEU 147 Cb -0.15 -2.56 0.42 0.00 0.02 0.00 0.00 46.19 43.91 3hb7 s LEU 147 CO 0.03 -0.75 1.82 0.77 0.02 0.00 0.00 176.35 178.24 3hb7 h SER 148 N 8.86 0.72 -0.53 2.29 4.64 -1.89 -0.92 113.55 126.72 3hb7 h SER 148 Ca -0.26 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hb7 h SER 148 Cb 1.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3hb7 h SER 148 CO 0.88 0.74 0.00 -0.90 -0.87 0.00 0.00 176.83 176.68 3hb7 n ASP 149 N -4.26 3.64 -0.65 4.97 5.75 -1.26 -3.80 116.55 120.94 3hb7 n ASP 149 Ca 0.03 -1.99 0.12 0.00 -0.01 0.00 0.00 54.79 52.94 3hb7 n ASP 149 Cb 0.25 -0.35 0.06 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.51 0.34 3.31 6.12 0.00 -0.42 -4.83 105.19 111.22 3hb7 n GLY 150 Ca 0.21 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.31 1.61 0.25 2.61 -4.23 -0.76 -2.17 115.64 110.65 3hb7 s THR 151 Ca 0.22 -1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 58.56 3hb7 s THR 151 Cb 0.19 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.21 3hb7 s THR 151 CO 0.47 -0.48 0.62 0.00 -0.54 0.00 0.00 174.62 174.70 3hb7 s ALA 152 N -2.51 -1.01 0.21 3.99 0.00 -0.99 -4.93 121.76 116.51 3hb7 s ALA 152 Ca 0.16 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3hb7 s ALA 152 Cb -0.03 0.90 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3hb7 s ALA 152 CO 0.05 -0.94 0.19 0.45 0.00 0.00 0.00 175.76 175.52 3hb7 n SER 153 N -0.42 -0.48 -0.17 0.00 2.88 -1.26 -1.40 113.62 112.77 3hb7 n SER 153 Ca -0.06 -2.37 -0.02 0.00 -1.33 0.00 0.00 58.87 55.09 3hb7 n SER 153 Cb 0.61 1.10 0.19 0.00 -0.75 0.00 0.00 64.21 65.36 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 0.91 -5.16 -1.46 3.64 -1.95 -2.94 116.57 109.62 3hb7 h LYS 154 Ca -0.15 -0.15 -0.35 0.00 -1.27 0.00 0.00 60.65 58.73 3hb7 h LYS 154 Cb 0.75 -0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 32.26 3hb7 h LYS 154 CO 0.22 0.75 -0.73 0.95 -2.27 0.00 0.00 179.45 178.37 3hb7 s THR 155 N -5.40 1.19 0.30 1.00 -4.23 -1.26 -4.27 115.64 102.97 3hb7 s THR 155 Ca -0.10 -1.89 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3hb7 s THR 155 Cb 0.16 -1.67 0.08 0.00 1.34 0.00 0.00 72.50 72.41 3hb7 s THR 155 CO 0.80 -0.61 1.75 -0.33 -0.54 0.00 0.00 174.62 175.69 3hb7 h GLU 156 N 3.13 0.45 -1.39 3.99 5.08 -2.02 -2.67 114.58 121.14 3hb7 h GLU 156 Ca -0.38 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3hb7 h GLU 156 Cb 1.19 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hb7 h GLU 156 CO 0.58 0.65 0.00 -0.85 -1.00 0.00 0.00 179.01 178.39 3hb7 n GLU 157 N -4.14 0.23 0.00 2.33 0.00 -1.26 -1.11 120.64 116.69 3hb7 n GLU 157 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3hb7 n GLU 157 Cb 0.38 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.51 3hb7 n GLU 157 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3hb7 n HIS 159 N 0.76 0.00 -0.02 -1.84 -0.00 -1.01 -1.61 115.22 111.51 3hb7 n HIS 159 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 3hb7 n HIS 159 Cb 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.03 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 0.15 0.00 1.57 4.81 -1.40 -0.66 114.58 119.05 3hb7 h GLU 160 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3hb7 h GLU 160 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3hb7 h GLU 160 CO 0.00 0.30 -0.21 0.10 -0.73 0.00 0.00 179.01 178.48 3hb7 h TYR 161 N -0.03 0.00 -0.37 0.92 -0.00 -1.57 -2.57 116.97 113.35 3hb7 h TYR 161 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.75 3hb7 h TYR 161 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.93 3hb7 h TYR 161 CO -0.00 0.21 0.17 0.78 -0.00 0.00 0.00 178.16 179.31 3hb7 h GLY 162 N 1.97 0.57 1.65 0.10 0.00 -1.66 -2.25 103.07 103.44 3hb7 h GLY 162 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3hb7 h GLY 162 CO 0.03 0.28 0.05 1.41 0.00 0.00 0.00 176.54 178.30 3hb7 h LEU 163 N 0.45 0.41 -0.39 3.11 3.38 -0.96 -2.30 115.31 119.02 3hb7 h LEU 163 Ca 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hb7 h LEU 163 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hb7 h LEU 163 CO -0.01 0.45 0.21 -1.13 0.09 0.00 0.00 178.44 178.04 3hb7 h ASN 164 N 0.44 0.48 -0.44 -0.43 -0.73 -1.02 -0.02 115.58 113.87 3hb7 h ASN 164 Ca 0.10 -0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.12 3hb7 h ASN 164 Cb 0.22 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 3hb7 h ASN 164 CO 0.00 0.44 0.02 0.44 -0.37 0.00 0.00 177.43 177.96 3hb7 h ASP 165 N 0.49 0.75 -0.25 1.15 5.19 -1.29 -3.18 116.42 119.28 3hb7 h ASP 165 Ca 0.14 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 3hb7 h ASP 165 Cb 0.06 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.36 3hb7 h ASP 165 CO -0.02 0.86 0.07 -0.07 -3.12 0.00 0.00 179.24 176.95 3hb7 h LEU 166 N 0.61 0.45 -1.85 1.55 3.38 -1.06 -0.91 115.31 117.48 3hb7 h LEU 166 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hb7 h LEU 166 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hb7 h LEU 166 CO 0.02 0.47 0.00 0.77 0.09 0.00 0.00 178.44 179.79 3hb7 h SER 167 N 0.48 0.00 -0.54 -0.43 4.64 -0.98 0.28 113.55 116.99 3hb7 h SER 167 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 3hb7 h SER 167 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3hb7 h SER 167 CO -0.00 0.00 0.19 0.40 -0.87 0.00 0.00 176.83 176.55 3hb7 h ILE 168 N 0.00 1.23 0.00 0.95 2.04 -1.20 -3.32 117.51 117.21 3hb7 h ILE 168 Ca 0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3hb7 h ILE 168 Cb 0.33 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3hb7 h ILE 168 CO 0.00 0.28 -0.17 2.22 0.00 0.00 0.00 178.15 180.48 3hb7 n PHE 169 N -4.48 0.00 -3.98 1.37 1.16 -1.04 -5.06 117.46 105.43 3hb7 n PHE 169 Ca 0.02 -0.64 -0.09 0.00 -1.87 0.00 0.00 57.45 54.88 3hb7 n PHE 169 Cb 0.18 -0.11 -0.10 0.00 -1.61 0.00 0.00 39.48 37.83 3hb7 n PHE 169 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 3hb7 s THR 170 N -1.83 0.13 -0.28 1.97 -1.32 0.06 -4.78 115.64 109.59 3hb7 s THR 170 Ca 0.20 -1.10 -0.19 0.00 -1.21 0.00 0.00 61.69 59.39 3hb7 s THR 170 Cb 0.18 -0.67 -0.02 0.00 -1.51 0.00 0.00 72.50 70.48 3hb7 s THR 170 CO 0.02 -0.61 0.57 -1.59 -2.21 0.00 0.00 174.62 170.81 3hb7 s LYS 171 N -2.19 4.00 0.02 7.08 0.00 -0.67 -4.39 119.74 123.59 3hb7 s LYS 171 Ca -0.09 0.33 -0.00 0.00 0.00 0.00 0.00 55.97 56.21 3hb7 s LYS 171 Cb -0.04 -3.68 -0.04 0.00 0.00 0.00 0.00 37.83 34.06 3hb7 s LYS 171 CO -0.03 -0.45 0.13 0.08 0.00 0.00 0.00 175.35 175.08 3hb7 s VAL 172 N 2.44 5.00 0.39 1.79 1.01 -1.26 -0.70 120.40 129.07 3hb7 s VAL 172 Ca 0.23 -0.42 0.08 0.00 0.00 0.00 0.00 61.98 61.87 3hb7 s VAL 172 Cb -0.15 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3hb7 s VAL 172 CO 0.10 0.26 0.47 0.42 0.00 0.00 0.00 175.10 176.35 3hb7 s THR 174 N -1.33 3.21 0.16 3.92 -4.23 -1.26 -4.96 115.64 111.15 3hb7 s THR 174 Ca 0.28 -1.12 -0.12 0.00 -1.18 0.00 0.00 61.69 59.54 3hb7 s THR 174 Cb -0.12 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.67 3hb7 s THR 174 CO 0.20 -0.05 1.70 0.58 -0.54 0.00 0.00 174.62 176.51 3hb7 h VAL 175 N 0.85 1.23 -0.61 2.29 2.07 -1.92 -2.41 116.25 117.76 3hb7 h VAL 175 Ca -0.42 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 3hb7 h VAL 175 Cb 1.27 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3hb7 h VAL 175 CO 0.51 0.29 0.08 0.44 0.02 0.00 0.00 177.57 178.91 3hb7 h ASP 176 N 0.78 0.96 -0.80 0.57 3.32 -1.99 -1.99 116.42 117.27 3hb7 h ASP 176 Ca 0.18 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3hb7 h ASP 176 Cb 0.25 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3hb7 h ASP 176 CO -0.01 0.97 0.34 1.56 -1.72 0.00 0.00 179.24 180.38 3hb7 h GLN 177 N 0.94 1.18 -0.10 3.56 4.20 -1.92 0.30 115.11 123.27 3hb7 h GLN 177 Ca 0.19 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3hb7 h GLN 177 Cb 0.43 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3hb7 h GLN 177 CO 0.01 0.94 0.01 -0.92 -0.67 0.00 0.00 178.83 178.20 3hb7 h TYR 178 N 1.16 0.18 -0.50 2.96 3.20 -1.19 0.19 116.97 122.97 3hb7 h TYR 178 Ca 0.27 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3hb7 h TYR 178 Cb 0.18 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3hb7 h TYR 178 CO 0.02 0.41 0.21 0.82 -1.64 0.00 0.00 178.16 177.98 3hb7 h ILE 179 N -0.09 1.21 -0.68 1.81 2.04 -1.23 -2.28 117.51 118.29 3hb7 h ILE 179 Ca 0.03 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3hb7 h ILE 179 Cb 0.33 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3hb7 h ILE 179 CO 0.00 0.24 0.40 -0.61 0.00 0.00 0.00 178.15 178.18 3hb7 h GLN 180 N 0.67 0.91 0.00 2.37 4.15 -0.29 0.18 115.11 123.10 3hb7 h GLN 180 Ca 0.17 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hb7 h GLN 180 Cb 0.18 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3hb7 h GLN 180 CO -0.02 0.65 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 3hb7 n ALA 181 N -2.43 1.61 0.02 3.38 0.00 0.64 -1.62 120.51 122.11 3hb7 n ALA 181 Ca 0.07 0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.50 3hb7 n ALA 181 Cb 0.08 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.22 3hb7 n ALA 181 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3hb7 n TRP 182 N -2.25 1.34 -0.91 0.00 7.02 0.05 -5.07 117.44 117.62 3hb7 n TRP 182 Ca 0.02 -1.10 0.00 0.00 -1.02 0.00 0.00 57.50 55.40 3hb7 n TRP 182 Cb 0.21 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.55 3hb7 n TRP 182 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06