#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8a n PRO 3 N 0.00 0.79 0.24 0.00 -0.02 -0.58 -4.50 135.00 130.93 1u8a n PRO 3 Ca 0.00 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.91 1u8a n PRO 3 Cb 0.00 -2.08 0.53 0.00 -0.02 0.00 0.00 33.50 31.92 1u8a n PRO 3 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1u8a h LYS 4 N 0.37 0.00 -1.62 -0.52 1.79 -0.27 -3.44 116.57 112.88 1u8a h LYS 4 Ca -0.48 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1u8a h LYS 4 Cb 1.37 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.77 1u8a h LYS 4 CO 0.50 0.17 0.44 0.00 -1.08 0.00 0.00 179.45 179.48 1u8a s ALA 5 N -3.70 -1.96 -0.20 3.86 0.00 -1.25 -4.84 121.76 113.68 1u8a s ALA 5 Ca 0.00 1.87 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 1u8a s ALA 5 Cb 0.10 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.84 1u8a s ALA 5 CO 0.61 -0.25 -0.10 0.08 0.00 0.00 0.00 175.76 176.11 1u8a s VAL 6 N 0.17 2.91 -0.18 0.00 1.01 0.61 -0.90 120.40 124.03 1u8a s VAL 6 Ca 0.03 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.21 1u8a s VAL 6 Cb -0.05 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1u8a s VAL 6 CO -0.05 0.47 0.33 -0.76 0.00 0.00 0.00 175.10 175.08 1u8a s LEU 7 N 1.38 4.20 0.14 3.92 1.43 0.17 0.11 118.68 130.04 1u8a s LEU 7 Ca 0.05 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1u8a s LEU 7 Cb -0.14 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 1u8a s LEU 7 CO -0.06 0.03 -0.11 0.68 0.23 0.00 0.00 176.35 177.12 1u8a s VAL 8 N 0.84 1.17 0.00 -1.59 -7.23 -0.18 -1.98 120.40 111.43 1u8a s VAL 8 Ca 0.17 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1u8a s VAL 8 Cb -0.14 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1u8a s VAL 8 CO 0.06 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 1u8a n GLY 9 N -0.07 2.17 3.62 2.32 0.00 -1.26 -0.77 105.19 111.20 1u8a n GLY 9 Ca -0.11 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1u8a n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u8a s LEU 10 N 0.00 1.71 0.27 0.99 1.43 -1.26 -4.45 118.68 117.37 1u8a s LEU 10 Ca 0.00 1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 54.35 1u8a s LEU 10 Cb 0.00 -3.74 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1u8a s LEU 10 CO 0.00 -3.37 1.51 -2.84 0.23 0.00 0.00 176.35 171.88 1u8a s PRO 11 N -4.73 4.20 0.00 1.29 0.02 -1.26 -1.70 135.00 132.82 1u8a s PRO 11 Ca 0.66 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1u8a s PRO 11 Cb -0.21 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1u8a s PRO 11 CO 0.60 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1u8a n GLY 12 N 2.11 1.06 0.19 0.52 0.00 -1.26 -4.88 105.19 102.93 1u8a n GLY 12 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1u8a n GLY 12 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u8a h SER 13 N 0.00 0.00 0.00 1.61 4.64 -1.65 -3.46 113.55 114.68 1u8a h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u8a h SER 13 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1u8a h SER 13 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1u8a n GLY 14 N 0.72 1.45 0.29 -0.77 0.00 -1.26 -4.86 105.19 100.76 1u8a n GLY 14 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1u8a n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8a h LYS 15 N 0.83 -0.22 -0.36 1.61 1.57 -1.91 0.23 116.57 118.32 1u8a h LYS 15 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1u8a h LYS 15 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1u8a h LYS 15 CO 0.00 -0.15 -0.15 0.77 -0.57 0.00 0.00 179.45 179.35 1u8a h SER 16 N -0.23 0.76 0.36 0.86 0.02 -1.95 -1.15 113.55 112.22 1u8a h SER 16 Ca 0.16 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1u8a h SER 16 Cb 0.49 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1u8a h SER 16 CO -0.46 0.98 -0.17 0.74 -1.14 0.00 0.00 176.83 176.78 1u8a h THR 17 N 0.53 0.50 -0.06 -2.27 2.02 -1.92 -2.47 112.91 109.25 1u8a h THR 17 Ca 0.08 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1u8a h THR 17 Cb 0.69 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1u8a h THR 17 CO 0.05 0.10 -0.19 0.40 0.37 0.00 0.00 175.52 176.25 1u8a h ILE 18 N -0.92 1.17 -0.14 3.11 2.04 -0.66 -2.35 117.51 119.77 1u8a h ILE 18 Ca -0.05 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 1u8a h ILE 18 Cb 0.54 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1u8a h ILE 18 CO 0.08 0.23 0.05 1.23 0.00 0.00 0.00 178.15 179.75 1u8a h GLY 19 N 0.71 0.24 0.69 5.37 0.00 -1.21 0.31 103.07 109.18 1u8a h GLY 19 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1u8a h GLY 19 CO 0.03 0.13 -0.38 -0.09 0.00 0.00 0.00 176.54 176.22 1u8a h ARG 20 N 0.06 -0.82 -0.51 4.80 2.43 -1.13 0.26 114.38 119.48 1u8a h ARG 20 Ca 0.05 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1u8a h ARG 20 Cb 0.20 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1u8a h ARG 20 CO -0.00 -0.55 0.32 0.00 -1.51 0.00 0.00 179.97 178.23 1u8a h ARG 21 N -0.85 0.68 -0.24 0.20 3.08 -1.36 0.10 114.38 115.99 1u8a h ARG 21 Ca -0.05 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 1u8a h ARG 21 Cb 0.73 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1u8a h ARG 21 CO -0.01 0.46 -0.09 1.25 -1.07 0.00 0.00 179.97 180.51 1u8a h LEU 22 N 0.69 0.49 0.07 3.04 6.46 -0.10 -1.75 115.31 124.22 1u8a h LEU 22 Ca 0.18 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1u8a h LEU 22 Cb -0.05 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 1u8a h LEU 22 CO -0.04 0.77 -0.14 0.00 -0.62 0.00 0.00 178.44 178.41 1u8a h ALA 23 N 0.73 -0.22 -0.93 1.25 0.00 0.60 -1.03 119.26 119.66 1u8a h ALA 23 Ca 0.06 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1u8a h ALA 23 Cb 0.57 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 1u8a h ALA 23 CO 0.03 -0.65 0.60 -0.22 0.00 0.00 0.00 179.25 179.01 1u8a h LYS 24 N -0.27 0.96 0.08 0.00 3.64 -0.81 0.11 116.57 120.29 1u8a h LYS 24 Ca 0.03 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1u8a h LYS 24 Cb 0.30 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1u8a h LYS 24 CO -0.09 0.64 -0.04 0.00 -2.27 0.00 0.00 179.45 177.69 1u8a h ALA 25 N 1.52 -0.11 0.00 5.00 0.00 -0.70 -2.96 119.26 122.01 1u8a h ALA 25 Ca 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1u8a h ALA 25 Cb 0.32 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1u8a h ALA 25 CO -0.18 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 178.57 1u8a h LEU 26 N -0.37 0.00 0.00 0.00 3.38 -0.81 -3.46 115.31 114.05 1u8a h LEU 26 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u8a h LEU 26 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1u8a h LEU 26 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1u8a n GLY 27 N 0.04 0.56 3.73 0.83 0.00 0.31 -5.06 105.19 105.59 1u8a n GLY 27 Ca 0.01 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1u8a n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u8a s VAL 28 N -2.00 1.42 0.45 1.61 -7.23 -0.76 -5.02 120.40 108.86 1u8a s VAL 28 Ca 0.00 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.10 1u8a s VAL 28 Cb 0.00 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 1u8a s VAL 28 CO 0.00 0.00 0.80 -0.83 -0.31 0.00 0.00 175.10 174.76 1u8a s GLY 29 N -3.84 1.78 -0.19 2.32 0.00 -1.26 -4.30 107.32 101.83 1u8a s GLY 29 Ca 0.15 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.52 1u8a s GLY 29 CO 0.08 -0.10 0.00 -2.27 0.00 0.00 0.00 173.10 170.81 1u8a s LEU 30 N -4.24 3.33 -0.25 0.66 2.96 -1.26 -0.95 118.68 118.93 1u8a s LEU 30 Ca 0.50 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.24 1u8a s LEU 30 Cb -0.10 -1.84 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1u8a s LEU 30 CO 0.37 0.09 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.21 1u8a s LEU 31 N 0.85 3.16 -0.40 -0.68 0.20 0.00 -4.98 118.68 116.83 1u8a s LEU 31 Ca 0.01 -0.87 -0.10 0.00 0.69 0.00 0.00 54.13 53.85 1u8a s LEU 31 Cb -0.14 -1.66 0.05 0.00 -0.43 0.00 0.00 46.19 44.02 1u8a s LEU 31 CO 0.02 -0.12 0.24 -0.62 -0.29 0.00 0.00 176.35 175.57 1u8a s ASP 32 N 1.32 5.69 0.38 3.68 -1.08 -1.26 -0.76 116.67 124.65 1u8a s ASP 32 Ca 0.00 -1.26 0.18 0.00 -0.52 0.00 0.00 52.55 50.95 1u8a s ASP 32 Cb -0.17 -2.01 1.10 0.00 -1.46 0.00 0.00 42.92 40.38 1u8a s ASP 32 CO -0.05 -0.47 1.74 0.71 0.52 0.00 0.00 175.17 177.62 1u8a h THR 33 N 5.98 0.47 -0.00 1.71 1.35 -1.33 0.17 112.91 121.27 1u8a h THR 33 Ca -0.24 -0.13 -0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1u8a h THR 33 Cb 1.09 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1u8a h THR 33 CO 0.72 0.07 0.00 0.44 -0.25 0.00 0.00 175.52 176.50 1u8a h ASP 34 N 0.39 0.00 0.03 5.36 3.32 -1.90 0.11 116.42 123.74 1u8a h ASP 34 Ca 0.63 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.60 1u8a h ASP 34 Cb 1.58 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.09 1u8a h ASP 34 CO -0.36 0.11 -0.20 0.58 -1.72 0.00 0.00 179.24 177.65 1u8a h VAL 35 N -0.10 0.53 -0.79 -1.35 2.07 -1.16 -1.86 116.25 113.59 1u8a h VAL 35 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1u8a h VAL 35 Cb 0.11 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.32 1u8a h VAL 35 CO -0.00 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.96 1u8a h ALA 36 N 0.53 1.16 0.47 1.67 0.00 -0.68 -2.39 119.26 120.01 1u8a h ALA 36 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u8a h ALA 36 Cb 0.40 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u8a h ALA 36 CO -0.17 -0.15 -0.44 0.82 0.00 0.00 0.00 179.25 179.32 1u8a h ILE 37 N 0.53 0.13 0.00 0.00 1.08 0.01 -1.43 117.51 117.83 1u8a h ILE 37 Ca 0.43 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.90 1u8a h ILE 37 Cb 0.63 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1u8a h ILE 37 CO -0.38 0.00 0.26 -0.62 -0.69 0.00 0.00 178.15 176.72 1u8a n GLU 38 N -5.53 0.04 -0.11 2.37 1.02 -0.84 -0.84 120.64 116.76 1u8a n GLU 38 Ca -0.11 0.41 -0.25 0.00 -0.02 0.00 0.00 57.16 57.19 1u8a n GLU 38 Cb 0.42 -1.88 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 1u8a n GLU 38 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u8a n GLN 39 N -1.63 0.61 0.32 3.49 6.02 -0.61 -1.11 117.38 124.46 1u8a n GLN 39 Ca -0.00 0.37 0.20 0.00 -0.01 0.00 0.00 57.00 57.56 1u8a n GLN 39 Cb 0.26 -1.62 1.05 0.00 1.02 0.00 0.00 30.24 30.95 1u8a n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1u8a h ARG 40 N -0.78 0.00 0.00 -1.09 2.43 -0.24 -2.85 114.38 111.85 1u8a h ARG 40 Ca -0.53 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.38 1u8a h ARG 40 Cb 1.57 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 1u8a h ARG 40 CO -0.25 0.01 -2.03 0.25 -1.51 0.00 0.00 179.97 176.44 1u8a n THR 41 N -3.18 0.98 -0.01 0.20 -2.24 -0.31 -4.98 114.28 104.75 1u8a n THR 41 Ca -0.02 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1u8a n THR 41 Cb 0.14 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1u8a n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8a n GLY 42 N 2.02 2.86 3.69 3.38 0.00 -0.27 -4.98 105.19 111.89 1u8a n GLY 42 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1u8a n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8a s ARG 43 N -0.00 2.41 0.55 1.61 0.52 -1.22 -4.96 118.95 117.85 1u8a s ARG 43 Ca 0.00 -1.39 -0.16 0.00 -0.52 0.00 0.00 55.73 53.67 1u8a s ARG 43 Cb 0.00 -2.22 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 1u8a s ARG 43 CO 0.00 0.32 1.01 -1.54 0.02 0.00 0.00 175.30 175.12 1u8a s SER 44 N -3.73 6.31 0.22 0.23 1.04 -1.26 -4.30 113.70 112.20 1u8a s SER 44 Ca 0.33 1.63 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 1u8a s SER 44 Cb -0.06 -2.51 0.22 0.00 0.10 0.00 0.00 66.02 63.77 1u8a s SER 44 CO 0.21 -0.81 1.85 0.40 0.98 0.00 0.00 173.24 175.88 1u8a h ILE 45 N 0.62 1.09 -0.48 -1.02 1.08 -1.96 -0.60 117.51 116.25 1u8a h ILE 45 Ca -0.46 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 63.72 1u8a h ILE 45 Cb 1.20 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 1u8a h ILE 45 CO 0.60 0.16 0.32 0.00 -0.69 0.00 0.00 178.15 178.54 1u8a h ALA 46 N 1.32 1.74 0.00 1.87 0.00 -1.93 -1.15 119.26 121.12 1u8a h ALA 46 Ca 0.30 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1u8a h ALA 46 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1u8a h ALA 46 CO -0.12 0.21 -0.76 -0.44 0.00 0.00 0.00 179.25 178.15 1u8a h ASP 47 N 0.57 0.00 0.03 0.00 3.32 -1.55 -2.77 116.42 116.02 1u8a h ASP 47 Ca 0.19 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 1u8a h ASP 47 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1u8a h ASP 47 CO -0.05 0.76 -0.61 0.40 -1.72 0.00 0.00 179.24 178.02 1u8a h ILE 48 N 0.00 1.32 0.33 0.35 1.08 -0.37 -2.01 117.51 118.21 1u8a h ILE 48 Ca -0.01 -1.88 -0.02 0.00 -0.39 0.00 0.00 64.86 62.56 1u8a h ILE 48 Cb 1.51 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.12 1u8a h ILE 48 CO 0.10 0.59 -0.16 -0.26 -0.69 0.00 0.00 178.15 177.73 1u8a h PHE 49 N 0.43 -0.41 0.00 1.37 0.04 -1.22 0.55 116.94 117.70 1u8a h PHE 49 Ca -0.01 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1u8a h PHE 49 Cb 1.18 0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.47 1u8a h PHE 49 CO 0.05 -0.21 0.00 0.00 -0.60 0.00 0.00 178.31 177.55 1u8a n ALA 50 N -2.32 2.45 -0.02 2.45 0.00 -1.05 -0.39 120.51 121.63 1u8a n ALA 50 Ca -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1u8a n ALA 50 Cb 0.21 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1u8a n ALA 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u8a n THR 51 N -1.09 0.30 0.00 0.00 -1.04 -0.76 -4.84 114.28 106.85 1u8a n THR 51 Ca 0.18 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1u8a n THR 51 Cb 0.13 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1u8a n THR 51 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1u8a n ASP 52 N -2.11 2.20 0.00 8.00 8.00 0.19 -5.05 116.55 127.78 1u8a n ASP 52 Ca -0.07 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1u8a n ASP 52 Cb 0.59 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1u8a n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8a n GLY 53 N 1.13 -0.80 0.30 0.44 0.00 0.48 -4.27 105.19 102.46 1u8a n GLY 53 Ca 0.00 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 1u8a n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u8a h GLU 54 N 0.00 -0.67 -1.59 1.61 5.08 -1.89 -2.30 114.58 114.81 1u8a h GLU 54 Ca 0.00 0.05 0.47 0.00 -1.00 0.00 0.00 59.36 58.88 1u8a h GLU 54 Cb 0.00 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 1u8a h GLU 54 CO 0.00 -0.37 1.12 1.96 -1.00 0.00 0.00 179.01 180.72 1u8a h GLN 55 N -0.93 0.03 0.19 2.33 7.50 -1.99 0.80 115.11 123.05 1u8a h GLN 55 Ca -0.07 -0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.73 1u8a h GLN 55 Cb 0.61 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.15 1u8a h GLN 55 CO 0.12 0.02 -1.72 1.49 -1.50 0.00 0.00 178.83 177.24 1u8a h GLU 56 N 0.03 0.40 -0.53 1.46 4.57 -1.72 -2.96 114.58 115.84 1u8a h GLU 56 Ca 0.80 -0.69 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 1u8a h GLU 56 Cb 3.03 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 31.86 1u8a h GLU 56 CO -0.11 1.32 0.01 0.35 -1.18 0.00 0.00 179.01 179.39 1u8a h PHE 57 N 0.11 0.96 -0.53 0.92 3.57 0.70 -2.51 116.94 120.16 1u8a h PHE 57 Ca -0.33 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 60.94 1u8a h PHE 57 Cb 2.10 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 40.56 1u8a h PHE 57 CO 0.10 0.87 -0.02 0.00 -2.23 0.00 0.00 178.31 177.03 1u8a h ARG 58 N 0.83 0.92 -0.40 1.11 2.47 0.19 0.16 114.38 119.65 1u8a h ARG 58 Ca 0.16 -0.28 -0.14 0.00 -1.26 0.00 0.00 59.98 58.46 1u8a h ARG 58 Cb 0.48 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 1u8a h ARG 58 CO 0.02 0.92 -0.30 0.07 0.56 0.00 0.00 179.97 181.24 1u8a h ARG 59 N 0.84 0.88 0.47 0.04 0.11 -1.35 0.12 114.38 115.49 1u8a h ARG 59 Ca 0.15 -0.41 -0.02 0.00 0.10 0.00 0.00 59.98 59.80 1u8a h ARG 59 Cb 0.53 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1u8a h ARG 59 CO 0.03 1.06 -0.22 0.82 0.10 0.00 0.00 179.97 181.75 1u8a h ILE 60 N 0.74 0.47 -0.48 0.08 2.04 -1.26 -1.87 117.51 117.24 1u8a h ILE 60 Ca 0.08 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.66 1u8a h ILE 60 Cb 0.87 0.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.47 1u8a h ILE 60 CO 0.08 0.06 -0.32 -0.08 0.00 0.00 0.00 178.15 177.89 1u8a h GLU 61 N -0.87 -0.20 -0.79 2.37 4.81 -0.63 0.26 114.58 119.54 1u8a h GLU 61 Ca -0.06 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1u8a h GLU 61 Cb 0.58 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.91 1u8a h GLU 61 CO 0.11 -0.13 0.39 1.49 -0.73 0.00 0.00 179.01 180.13 1u8a h GLU 62 N -0.20 0.58 -0.54 1.92 4.81 -0.70 0.34 114.58 120.80 1u8a h GLU 62 Ca 0.20 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1u8a h GLU 62 Cb 0.54 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1u8a h GLU 62 CO -0.59 0.38 0.01 0.22 -0.73 0.00 0.00 179.01 178.30 1u8a h ASP 63 N 0.60 0.87 -0.14 1.04 3.58 -0.15 -1.44 116.42 120.78 1u8a h ASP 63 Ca 0.42 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1u8a h ASP 63 Cb 0.54 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1u8a h ASP 63 CO -0.33 0.92 -0.09 0.58 -2.88 0.00 0.00 179.24 177.44 1u8a h VAL 64 N 0.84 1.33 -0.28 2.25 2.07 0.30 -2.79 116.25 119.96 1u8a h VAL 64 Ca 0.16 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1u8a h VAL 64 Cb 0.48 1.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1u8a h VAL 64 CO 0.02 0.35 -0.06 0.58 0.02 0.00 0.00 177.57 178.48 1u8a h VAL 65 N -0.05 0.73 -0.32 2.57 2.07 -0.18 0.16 116.25 121.23 1u8a h VAL 65 Ca 0.03 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1u8a h VAL 65 Cb 0.59 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1u8a h VAL 65 CO 0.03 0.00 0.13 0.03 0.02 0.00 0.00 177.57 177.78 1u8a h ARG 66 N 0.01 0.28 0.26 1.57 3.08 -1.31 0.20 114.38 118.47 1u8a h ARG 66 Ca 0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1u8a h ARG 66 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1u8a h ARG 66 CO -0.28 0.18 -0.26 0.00 -1.07 0.00 0.00 179.97 178.54 1u8a h ALA 67 N 1.18 -0.53 -0.74 0.04 0.00 -1.15 -2.12 119.26 115.94 1u8a h ALA 67 Ca 0.14 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1u8a h ALA 67 Cb 0.08 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1u8a h ALA 67 CO -0.12 -0.83 0.41 0.00 0.00 0.00 0.00 179.25 178.71 1u8a h ALA 68 N 0.10 1.02 0.00 0.00 0.00 -0.34 0.31 119.26 120.35 1u8a h ALA 68 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u8a h ALA 68 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1u8a h ALA 68 CO -0.06 0.05 -0.02 -0.07 0.00 0.00 0.00 179.25 179.16 1u8a h LEU 69 N 0.71 0.00 0.09 0.00 3.38 -0.34 0.22 115.31 119.37 1u8a h LEU 69 Ca 0.35 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.99 1u8a h LEU 69 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1u8a h LEU 69 CO -0.23 0.02 -1.79 0.00 0.09 0.00 0.00 178.44 176.53 1u8a n ALA 70 N -2.46 0.86 0.35 1.53 0.00 0.08 -4.28 120.51 116.58 1u8a n ALA 70 Ca -0.03 -0.57 0.11 0.00 0.00 0.00 0.00 53.44 52.96 1u8a n ALA 70 Cb 0.10 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.85 1u8a n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u8a n ASP 71 N -3.78 0.47 -4.65 0.00 8.00 0.86 -4.41 116.55 113.04 1u8a n ASP 71 Ca -0.32 -0.17 -0.38 0.00 0.71 0.00 0.00 54.79 54.62 1u8a n ASP 71 Cb 0.94 1.22 -0.08 0.00 -0.02 0.00 0.00 41.12 43.18 1u8a n ASP 71 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1u8a s HIS 72 N -3.31 3.32 -1.89 1.24 2.46 0.06 -4.94 115.29 112.23 1u8a s HIS 72 Ca -0.01 0.51 0.21 0.00 0.47 0.00 0.00 55.06 56.24 1u8a s HIS 72 Cb 0.14 -2.52 -0.02 0.00 -0.13 0.00 0.00 32.58 30.05 1u8a s HIS 72 CO 0.85 -0.09 1.04 -0.25 -2.47 0.00 0.00 174.74 173.82 1u8a n ASP 73 N 4.79 1.92 0.00 9.88 8.00 -1.26 -1.52 116.55 138.35 1u8a n ASP 73 Ca -0.09 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1u8a n ASP 73 Cb 0.51 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1u8a n ASP 73 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8a n GLY 74 N 1.38 0.84 3.61 0.44 0.00 -1.26 -3.18 105.19 107.01 1u8a n GLY 74 Ca 0.09 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1u8a n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8a s VAL 75 N 1.06 4.22 -0.14 1.61 1.01 -0.13 0.13 120.40 128.15 1u8a s VAL 75 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1u8a s VAL 75 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1u8a s VAL 75 CO 0.00 0.55 -0.16 -0.22 0.00 0.00 0.00 175.10 175.26 1u8a s LEU 76 N -0.27 2.44 -0.22 3.92 2.96 -0.07 -0.82 118.68 126.62 1u8a s LEU 76 Ca 0.06 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 1u8a s LEU 76 Cb -0.12 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1u8a s LEU 76 CO 0.02 0.10 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.60 1u8a s SER 77 N 0.70 3.86 0.52 3.68 0.01 0.06 0.45 113.70 122.98 1u8a s SER 77 Ca -0.08 -0.72 -0.06 0.00 1.31 0.00 0.00 55.95 56.40 1u8a s SER 77 Cb -0.16 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1u8a s SER 77 CO 0.01 -0.06 0.85 -0.76 0.41 0.00 0.00 173.24 173.69 1u8a s LEU 78 N 1.33 3.49 0.54 2.44 1.43 -0.84 -0.85 118.68 126.23 1u8a s LEU 78 Ca 0.03 0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 53.91 1u8a s LEU 78 Cb -0.15 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.09 1u8a s LEU 78 CO -0.08 -0.71 1.13 -0.83 0.23 0.00 0.00 176.35 176.10 1u8a s GLY 79 N -4.15 2.65 0.43 -3.19 0.00 -1.26 -4.86 107.32 96.93 1u8a s GLY 79 Ca 0.50 0.84 0.26 0.00 0.00 0.00 0.00 44.72 46.32 1u8a s GLY 79 CO 0.46 1.20 1.68 -1.33 0.00 0.00 0.00 173.10 175.12 1u8a h GLY 80 N 1.24 1.20 -1.85 0.20 0.00 -1.91 -1.67 103.07 100.27 1u8a h GLY 80 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1u8a h GLY 80 CO 0.57 -0.28 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1u8a n GLY 81 N -1.52 3.73 0.34 4.60 0.00 -1.26 -4.61 105.19 106.47 1u8a n GLY 81 Ca 0.32 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 1u8a n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8a h ALA 82 N 2.17 1.37 0.00 4.61 0.00 -1.66 -1.97 119.26 123.78 1u8a h ALA 82 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u8a h ALA 82 Cb 1.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1u8a h ALA 82 CO 0.23 0.54 0.00 1.33 0.00 0.00 0.00 179.25 181.35 1u8a n VAL 83 N -4.38 1.60 0.41 0.00 0.24 -1.26 -1.50 118.33 113.44 1u8a n VAL 83 Ca 0.08 0.60 0.13 0.00 -2.04 0.00 0.00 64.34 63.11 1u8a n VAL 83 Cb 0.07 -1.60 0.41 0.00 -1.47 0.00 0.00 33.84 31.25 1u8a n VAL 83 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1u8a h THR 84 N 0.00 0.00 -3.37 3.34 1.35 -1.71 -3.43 112.91 109.09 1u8a h THR 84 Ca 0.00 -0.57 -0.58 0.00 -0.55 0.00 0.00 66.41 64.70 1u8a h THR 84 Cb 0.00 1.52 -0.08 0.00 -1.73 0.00 0.00 68.15 67.86 1u8a h THR 84 CO 0.00 0.00 0.21 -0.44 -0.25 0.00 0.00 175.52 175.04 1u8a s SER 85 N -5.12 6.82 0.38 5.36 0.01 -0.56 -4.94 113.70 115.65 1u8a s SER 85 Ca 0.07 1.01 0.06 0.00 1.31 0.00 0.00 55.95 58.40 1u8a s SER 85 Cb 0.09 -2.39 0.78 0.00 0.21 0.00 0.00 66.02 64.71 1u8a s SER 85 CO 0.57 -0.29 2.00 -0.65 0.41 0.00 0.00 173.24 175.28 1u8a h PRO 86 N 7.31 0.66 -0.09 12.44 0.11 -1.88 -1.43 132.00 149.13 1u8a h PRO 86 Ca -0.32 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1u8a h PRO 86 Cb 1.15 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1u8a h PRO 86 CO 0.79 0.44 -0.23 0.78 -0.21 0.00 0.00 178.00 179.58 1u8a h GLY 87 N 0.68 0.16 1.12 -0.55 0.00 -1.94 -1.29 103.07 101.26 1u8a h GLY 87 Ca 0.24 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 1u8a h GLY 87 CO -0.07 0.10 -0.68 -2.08 0.00 0.00 0.00 176.54 173.82 1u8a h VAL 88 N 0.14 1.29 -0.76 4.60 2.07 -1.55 -2.06 116.25 119.97 1u8a h VAL 88 Ca 0.02 -1.88 -0.05 0.00 0.82 0.00 0.00 66.70 65.61 1u8a h VAL 88 Cb 0.48 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1u8a h VAL 88 CO 0.03 0.60 0.27 0.03 0.02 0.00 0.00 177.57 178.52 1u8a h ARG 89 N 0.50 1.16 -0.39 1.57 3.08 -1.00 -1.68 114.38 117.62 1u8a h ARG 89 Ca -0.03 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.64 1u8a h ARG 89 Cb 1.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 1u8a h ARG 89 CO 0.14 0.97 -0.34 0.00 -1.07 0.00 0.00 179.97 179.67 1u8a h ALA 90 N 1.16 0.66 0.00 0.04 0.00 -1.23 -2.78 119.26 117.11 1u8a h ALA 90 Ca 0.25 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1u8a h ALA 90 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u8a h ALA 90 CO -0.01 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.75 1u8a h ALA 91 N 0.87 1.37 0.00 0.00 0.00 -1.05 -2.80 119.26 117.64 1u8a h ALA 91 Ca 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1u8a h ALA 91 Cb 0.92 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1u8a h ALA 91 CO 0.08 0.20 -0.64 -0.07 0.00 0.00 0.00 179.25 178.82 1u8a h LEU 92 N 0.00 0.00 -9.14 0.00 3.38 -1.03 -3.46 115.31 105.06 1u8a h LEU 92 Ca -0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1u8a h LEU 92 Cb 0.38 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.17 1u8a h LEU 92 CO 0.02 0.64 0.50 0.00 0.09 0.00 0.00 178.44 179.70 1u8a n ALA 93 N -2.32 -1.48 0.00 1.53 0.00 -1.06 -0.38 120.51 116.80 1u8a n ALA 93 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1u8a n ALA 93 Cb 0.71 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1u8a n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8a n GLY 94 N 2.89 3.27 3.86 0.00 0.00 -1.26 -5.06 105.19 108.90 1u8a n GLY 94 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1u8a n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8a s HIS 95 N -2.76 2.92 -0.50 1.61 4.02 0.49 -5.00 115.29 116.07 1u8a s HIS 95 Ca 0.00 0.87 -0.22 0.00 1.02 0.00 0.00 55.06 56.72 1u8a s HIS 95 Cb 0.00 -3.36 0.04 0.00 -1.02 0.00 0.00 32.58 28.24 1u8a s HIS 95 CO 0.00 -1.78 0.80 0.99 1.02 0.00 0.00 174.74 175.76 1u8a s THR 96 N -3.44 4.62 -0.26 1.30 2.01 -1.26 -4.81 115.64 113.79 1u8a s THR 96 Ca 0.61 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 1u8a s THR 96 Cb -0.12 -4.39 0.02 0.00 0.01 0.00 0.00 72.50 68.02 1u8a s THR 96 CO 0.51 -0.89 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.84 1u8a s VAL 97 N 3.35 3.15 -0.31 3.82 1.01 -1.26 -0.28 120.40 129.87 1u8a s VAL 97 Ca 0.26 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 1u8a s VAL 97 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1u8a s VAL 97 CO 0.18 0.14 0.41 -0.69 0.00 0.00 0.00 175.10 175.15 1u8a s VAL 98 N 1.36 5.12 -0.44 2.92 1.01 0.12 -1.21 120.40 129.27 1u8a s VAL 98 Ca 0.00 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 1u8a s VAL 98 Cb -0.17 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1u8a s VAL 98 CO -0.02 -0.02 0.48 -0.47 0.00 0.00 0.00 175.10 175.06 1u8a s TYR 99 N 2.15 3.15 -0.56 5.22 5.04 0.75 -1.01 117.35 132.09 1u8a s TYR 99 Ca 0.15 -0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 54.07 1u8a s TYR 99 Cb -0.16 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.12 1u8a s TYR 99 CO 0.11 -0.78 1.02 -0.51 -1.34 0.00 0.00 175.55 174.05 1u8a s LEU 100 N 2.20 3.90 0.30 6.97 1.43 0.05 -0.87 118.68 132.67 1u8a s LEU 100 Ca 0.12 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 1u8a s LEU 100 Cb -0.18 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 1u8a s LEU 100 CO 0.13 -1.31 0.72 -1.61 0.23 0.00 0.00 176.35 174.51 1u8a s GLU 101 N 4.26 4.03 -0.06 1.70 2.02 0.03 -4.46 118.70 126.21 1u8a s GLU 101 Ca 0.34 0.68 -0.28 0.00 0.02 0.00 0.00 54.97 55.73 1u8a s GLU 101 Cb -0.11 -2.50 0.06 0.00 0.10 0.00 0.00 34.13 31.68 1u8a s GLU 101 CO 0.21 0.20 0.63 -1.50 0.02 0.00 0.00 175.26 174.82 1u8a s ILE 102 N -1.91 0.01 0.68 -1.63 2.07 -1.26 -1.05 121.20 118.11 1u8a s ILE 102 Ca 0.52 -0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.59 1u8a s ILE 102 Cb -0.11 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1u8a s ILE 102 CO 0.18 -0.04 1.06 -0.94 -1.91 0.00 0.00 174.94 173.29 1u8a s SER 103 N -1.07 5.52 0.23 4.50 1.04 -1.26 -4.86 113.70 117.80 1u8a s SER 103 Ca -0.10 1.57 -0.05 0.00 0.48 0.00 0.00 55.95 57.85 1u8a s SER 103 Cb -0.01 -2.48 0.22 0.00 0.10 0.00 0.00 66.02 63.85 1u8a s SER 103 CO 0.08 -1.35 1.71 0.00 0.98 0.00 0.00 173.24 174.67 1u8a h ALA 104 N -0.65 0.99 -0.16 5.32 0.00 -1.97 0.94 119.26 123.73 1u8a h ALA 104 Ca -0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1u8a h ALA 104 Cb 1.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1u8a h ALA 104 CO 0.58 0.62 0.06 0.00 0.00 0.00 0.00 179.25 180.50 1u8a h ALA 105 N 1.15 0.21 -0.22 0.00 0.00 -1.97 -0.47 119.26 117.96 1u8a h ALA 105 Ca 0.16 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1u8a h ALA 105 Cb 0.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u8a h ALA 105 CO 0.02 -0.18 -0.50 1.49 0.00 0.00 0.00 179.25 180.08 1u8a h GLU 106 N 0.10 0.73 -0.34 0.00 4.57 -1.94 -2.70 114.58 114.99 1u8a h GLU 106 Ca 0.05 -0.49 0.05 0.00 -1.18 0.00 0.00 59.36 57.79 1u8a h GLU 106 Cb 0.20 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 1u8a h GLU 106 CO -0.00 1.11 0.05 0.78 -1.18 0.00 0.00 179.01 179.77 1u8a h GLY 107 N 0.46 0.37 1.55 1.92 0.00 -0.70 0.27 103.07 106.93 1u8a h GLY 107 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1u8a h GLY 107 CO 0.11 -0.04 -0.16 -0.24 0.00 0.00 0.00 176.54 176.21 1u8a h VAL 108 N 0.15 1.24 0.00 4.60 3.04 -1.11 -2.41 116.25 121.76 1u8a h VAL 108 Ca 0.16 -1.12 -0.06 0.00 -1.01 0.00 0.00 66.70 64.67 1u8a h VAL 108 Cb 0.20 1.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 1u8a h VAL 108 CO -0.23 0.36 -0.30 0.03 -1.01 0.00 0.00 177.57 176.42 1u8a h ARG 109 N 0.49 0.00 0.03 4.17 3.08 -1.01 -3.02 114.38 118.13 1u8a h ARG 109 Ca 0.08 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 1u8a h ARG 109 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1u8a h ARG 109 CO 0.04 0.30 -0.99 0.00 -1.07 0.00 0.00 179.97 178.25 1u8a h ARG 110 N 0.00 0.26 -0.57 0.04 3.08 -0.50 -3.22 114.38 113.46 1u8a h ARG 110 Ca -0.00 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1u8a h ARG 110 Cb 0.85 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1u8a h ARG 110 CO 0.04 1.06 0.00 0.25 -1.07 0.00 0.00 179.97 180.25 1u8a n THR 111 N -3.63 0.85 0.00 2.04 -2.24 -0.98 -4.65 114.28 105.67 1u8a n THR 111 Ca -0.05 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1u8a n THR 111 Cb 0.88 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1u8a n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u8a n GLY 112 N 0.66 -2.99 0.00 3.38 0.00 -1.16 -5.05 105.19 100.03 1u8a n GLY 112 Ca 0.12 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1u8a n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8a n GLY 113 N -1.00 -0.47 3.03 -0.02 0.00 -1.26 -5.12 105.19 100.35 1u8a n GLY 113 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1u8a n GLY 113 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8a s VAL 116 N 0.00 0.11 -0.35 1.61 1.01 -1.26 -5.18 120.40 116.35 1u8a s VAL 116 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1u8a s VAL 116 Cb 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1u8a s VAL 116 CO 0.00 -0.52 0.18 -0.13 0.00 0.00 0.00 175.10 174.64 1u8a s ARG 117 N -1.74 3.06 0.30 2.72 3.00 -1.26 -4.81 118.95 120.23 1u8a s ARG 117 Ca -0.13 -0.91 0.02 0.00 0.00 0.00 0.00 55.73 54.71 1u8a s ARG 117 Cb -0.07 -3.66 0.49 0.00 0.00 0.00 0.00 34.95 31.71 1u8a s ARG 117 CO -0.01 -0.57 1.83 -1.35 0.00 0.00 0.00 175.30 175.19 1u8a h PRO 118 N 8.40 0.63 0.00 3.54 0.11 -1.96 -2.06 132.00 140.67 1u8a h PRO 118 Ca -0.29 -0.15 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1u8a h PRO 118 Cb 1.12 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1u8a h PRO 118 CO 0.64 0.65 -0.47 -0.07 -0.21 0.00 0.00 178.00 178.55 1u8a h LEU 119 N 0.60 0.00 0.09 2.35 3.38 -2.03 -3.35 115.31 116.35 1u8a h LEU 119 Ca 0.12 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.75 1u8a h LEU 119 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1u8a h LEU 119 CO 0.01 0.35 -1.93 0.18 0.09 0.00 0.00 178.44 177.14 1u8a n LEU 120 N -3.13 2.19 -4.21 1.67 4.77 -1.18 -4.94 117.00 112.16 1u8a n LEU 120 Ca 0.01 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.91 1u8a n LEU 120 Cb 0.68 -0.79 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1u8a n LEU 120 CO 0.39 0.74 -0.87 0.00 -1.33 0.00 0.00 177.39 176.32 1u8a n ALA 121 N -2.89 -4.28 0.00 -1.18 0.00 -0.78 -4.60 120.51 106.78 1u8a n ALA 121 Ca -0.28 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.17 1u8a n ALA 121 Cb 1.05 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1u8a n ALA 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8a n GLY 122 N 2.44 -2.68 2.87 0.00 0.00 -1.26 -4.89 105.19 101.67 1u8a n GLY 122 Ca 0.01 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.15 1u8a n GLY 122 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u8a n PRO 123 N -0.78 -3.37 -4.20 1.61 -0.02 -1.26 -3.92 135.00 123.06 1u8a n PRO 123 Ca 0.00 -1.08 -0.33 0.00 -2.02 0.00 0.00 63.50 60.07 1u8a n PRO 123 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1u8a n PRO 123 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1u8a n ASP 124 N -3.96 -1.40 0.10 2.55 8.00 -1.26 -4.86 116.55 115.72 1u8a n ASP 124 Ca 0.10 -1.09 -0.01 0.00 0.71 0.00 0.00 54.79 54.50 1u8a n ASP 124 Cb 0.45 -2.50 0.25 0.00 -0.02 0.00 0.00 41.12 39.30 1u8a n ASP 124 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1u8a h ARG 125 N -1.59 0.24 -0.27 -1.24 3.08 -1.81 -1.96 114.38 110.83 1u8a h ARG 125 Ca -0.62 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 59.34 1u8a h ARG 125 Cb 1.38 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.41 1u8a h ARG 125 CO 0.73 0.58 0.15 0.00 -1.07 0.00 0.00 179.97 180.37 1u8a h ALA 126 N 1.41 0.33 -0.11 0.04 0.00 -1.93 0.62 119.26 119.63 1u8a h ALA 126 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1u8a h ALA 126 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1u8a h ALA 126 CO 0.06 -0.23 0.03 0.93 0.00 0.00 0.00 179.25 180.03 1u8a h GLU 127 N 0.32 0.18 -0.72 0.00 5.08 -1.91 -1.39 114.58 116.13 1u8a h GLU 127 Ca 0.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1u8a h GLU 127 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1u8a h GLU 127 CO -0.05 0.35 0.36 0.87 -1.00 0.00 0.00 179.01 179.55 1u8a h LYS 128 N -0.03 1.02 -0.04 2.33 1.57 -1.14 -0.22 116.57 120.06 1u8a h LYS 128 Ca 0.03 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1u8a h LYS 128 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1u8a h LYS 128 CO 0.00 0.79 0.03 -0.92 -0.57 0.00 0.00 179.45 178.77 1u8a h TYR 129 N 1.00 0.05 -0.63 -1.35 5.03 0.34 -0.21 116.97 121.21 1u8a h TYR 129 Ca 0.25 0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.58 1u8a h TYR 129 Cb 0.09 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.31 1u8a h TYR 129 CO 0.00 0.07 0.41 0.00 -1.32 0.00 0.00 178.16 177.33 1u8a h ARG 130 N 0.02 0.76 -0.31 1.82 3.08 -0.90 -0.47 114.38 118.38 1u8a h ARG 130 Ca 0.02 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1u8a h ARG 130 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1u8a h ARG 130 CO -0.00 0.50 -0.08 0.00 -1.07 0.00 0.00 179.97 179.32 1u8a h ALA 131 N 1.63 0.42 -0.74 0.04 0.00 -0.57 -0.87 119.26 119.17 1u8a h ALA 131 Ca 0.24 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1u8a h ALA 131 Cb 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1u8a h ALA 131 CO -0.06 0.26 0.41 1.25 0.00 0.00 0.00 179.25 181.11 1u8a h LEU 132 N 0.37 0.60 -0.39 0.00 5.85 -0.28 -1.01 115.31 120.45 1u8a h LEU 132 Ca 0.08 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1u8a h LEU 132 Cb 0.58 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1u8a h LEU 132 CO 0.03 0.37 0.00 -0.03 -0.34 0.00 0.00 178.44 178.48 1u8a h MET 133 N 0.73 0.69 -0.44 1.25 4.05 -0.80 -0.52 114.93 119.89 1u8a h MET 133 Ca 0.34 -0.22 0.03 0.00 -0.28 0.00 0.00 59.70 59.57 1u8a h MET 133 Cb 0.26 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1u8a h MET 133 CO -0.21 0.78 0.25 0.00 0.23 0.00 0.00 176.91 177.96 1u8a h ALA 134 N 0.88 0.56 -0.17 0.39 0.00 -0.54 0.68 119.26 121.06 1u8a h ALA 134 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1u8a h ALA 134 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1u8a h ALA 134 CO 0.02 -0.08 0.04 0.87 0.00 0.00 0.00 179.25 180.09 1u8a h LYS 135 N 0.50 0.28 0.00 0.00 1.57 -1.07 -3.35 116.57 114.49 1u8a h LYS 135 Ca 0.18 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1u8a h LYS 135 Cb 0.04 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1u8a h LYS 135 CO -0.10 0.43 -1.27 0.54 -0.57 0.00 0.00 179.45 178.48 1u8a n ARG 136 N -4.79 0.62 -0.28 3.15 1.74 -0.21 -4.33 116.66 112.55 1u8a n ARG 136 Ca -0.05 0.15 -0.04 0.00 -0.77 0.00 0.00 57.85 57.14 1u8a n ARG 136 Cb 0.17 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 29.82 1u8a n ARG 136 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8a h ALA 137 N 1.72 -0.02 -0.96 7.54 0.00 -1.00 0.20 119.26 126.73 1u8a h ALA 137 Ca -0.09 0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.18 1u8a h ALA 137 Cb 1.29 0.92 -0.09 0.00 0.00 0.00 0.00 17.79 19.91 1u8a h ALA 137 CO 0.02 -0.69 0.61 -1.35 0.00 0.00 0.00 179.25 177.84 1u8a h PRO 138 N -0.10 0.78 -0.14 0.00 0.11 -1.79 -2.20 132.00 128.65 1u8a h PRO 138 Ca 0.27 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 1u8a h PRO 138 Cb 0.57 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 1u8a h PRO 138 CO -0.81 0.51 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.35 1u8a h LEU 139 N 0.80 0.31 -0.63 2.35 3.38 -0.88 -2.28 115.31 118.36 1u8a h LEU 139 Ca 0.50 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1u8a h LEU 139 Cb 0.72 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1u8a h LEU 139 CO -0.27 0.66 0.40 1.88 0.09 0.00 0.00 178.44 181.19 1u8a h TYR 140 N -0.03 0.74 -0.00 1.13 0.05 -0.96 -1.72 116.97 116.18 1u8a h TYR 140 Ca 0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 1u8a h TYR 140 Cb 0.54 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1u8a h TYR 140 CO 0.07 0.43 -0.21 0.00 -1.05 0.00 0.00 178.16 177.40 1u8a h ARG 141 N 0.78 0.00 -0.21 4.88 3.08 -1.38 -1.41 114.38 120.13 1u8a h ARG 141 Ca 0.25 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1u8a h ARG 141 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1u8a h ARG 141 CO -0.09 0.21 -0.41 -0.09 -1.07 0.00 0.00 179.97 178.52 1u8a h ARG 142 N 0.00 0.66 0.00 0.04 2.43 -0.71 -3.26 114.38 113.54 1u8a h ARG 142 Ca -0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1u8a h ARG 142 Cb 0.37 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1u8a h ARG 142 CO 0.03 1.04 -0.35 -0.39 -1.51 0.00 0.00 179.97 178.78 1u8a h VAL 143 N 0.35 0.00 -3.60 0.20 -1.51 -1.30 -3.47 116.25 106.92 1u8a h VAL 143 Ca 0.01 -0.63 -0.51 0.00 -1.23 0.00 0.00 66.70 64.33 1u8a h VAL 143 Cb 1.02 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1u8a h VAL 143 CO 0.09 0.00 0.49 0.00 -1.23 0.00 0.00 177.57 176.93 1u8a s ALA 144 N -3.17 3.39 -0.53 5.19 0.00 -0.54 -4.65 121.76 121.44 1u8a s ALA 144 Ca 0.07 0.86 0.13 0.00 0.00 0.00 0.00 51.96 53.02 1u8a s ALA 144 Cb 0.11 -3.36 -0.14 0.00 0.00 0.00 0.00 23.12 19.73 1u8a s ALA 144 CO 0.68 -0.24 0.51 0.25 0.00 0.00 0.00 175.76 176.96 1u8a n THR 145 N 2.13 0.00 -3.62 0.00 -2.24 -0.35 -4.91 114.28 105.29 1u8a n THR 145 Ca 0.02 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1u8a n THR 145 Cb 0.45 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 1u8a n THR 145 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1u8a s MET 146 N -2.27 0.22 -0.25 -0.78 -2.45 -0.77 -4.94 119.30 108.06 1u8a s MET 146 Ca 0.04 0.77 -0.09 0.00 -1.25 0.00 0.00 55.69 55.16 1u8a s MET 146 Cb 0.09 -0.05 -0.04 0.00 1.25 0.00 0.00 34.83 36.08 1u8a s MET 146 CO 0.52 -0.34 0.13 1.03 1.05 0.00 0.00 175.02 177.42 1u8a s ARG 147 N 2.48 3.89 -0.23 4.11 0.52 -1.26 -0.18 118.95 128.29 1u8a s ARG 147 Ca 0.02 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1u8a s ARG 147 Cb -0.13 -3.47 0.03 0.00 0.52 0.00 0.00 34.95 31.91 1u8a s ARG 147 CO -0.11 -0.07 -0.13 0.08 0.02 0.00 0.00 175.30 175.10 1u8a s VAL 148 N 1.37 2.35 -0.28 3.52 1.01 -0.05 -4.96 120.40 123.36 1u8a s VAL 148 Ca 0.06 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 1u8a s VAL 148 Cb -0.15 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 1u8a s VAL 148 CO 0.06 0.26 1.34 -0.62 0.00 0.00 0.00 175.10 176.13 1u8a s ASP 149 N 1.24 6.65 -0.06 3.32 -1.08 -1.26 -0.79 116.67 124.69 1u8a s ASP 149 Ca -0.01 1.28 0.19 0.00 -0.52 0.00 0.00 52.55 53.49 1u8a s ASP 149 Cb -0.16 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.38 1u8a s ASP 149 CO -0.08 -1.08 1.53 0.35 0.52 0.00 0.00 175.17 176.41 1u8a n THR 150 N 6.18 1.42 0.20 1.71 -2.24 -0.21 -4.65 114.28 116.68 1u8a n THR 150 Ca 0.15 -1.13 -0.15 0.00 -2.27 0.00 0.00 64.05 60.65 1u8a n THR 150 Cb 0.46 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.92 1u8a n THR 150 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1u8a h ASN 151 N 3.70 -0.38 -0.39 3.42 2.35 -1.91 -3.27 115.58 119.10 1u8a h ASN 151 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1u8a h ASN 151 Cb 1.16 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1u8a h ASN 151 CO 0.11 -0.20 0.00 0.54 -1.65 0.00 0.00 177.43 176.23 1u8a n ARG 152 N -5.25 3.51 -4.58 0.81 1.74 -1.26 -4.95 116.66 106.68 1u8a n ARG 152 Ca -0.10 -2.85 -0.33 0.00 -0.77 0.00 0.00 57.85 53.79 1u8a n ARG 152 Cb 0.22 -1.90 -0.13 0.00 -1.02 0.00 0.00 32.46 29.63 1u8a n ARG 152 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1u8a s ARG 153 N -2.52 3.52 0.80 5.56 0.52 -1.24 -5.12 118.95 120.48 1u8a s ARG 153 Ca 0.44 -0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 54.93 1u8a s ARG 153 Cb 0.34 -2.78 0.07 0.00 0.52 0.00 0.00 34.95 33.10 1u8a s ARG 153 CO 0.13 0.22 1.10 0.54 0.02 0.00 0.00 175.30 177.31 1u8a s ASN 154 N 0.38 4.44 0.19 0.23 2.20 -1.26 -4.77 114.94 116.35 1u8a s ASN 154 Ca -0.07 1.27 -0.15 0.00 -0.94 0.00 0.00 52.86 52.97 1u8a s ASN 154 Cb -0.15 -2.00 0.18 0.00 -2.00 0.00 0.00 41.25 37.29 1u8a s ASN 154 CO 0.04 -2.00 1.64 -0.65 -2.94 0.00 0.00 177.10 173.19 1u8a h PRO 155 N -1.11 -0.01 -0.92 3.55 0.11 -1.99 -1.23 132.00 130.39 1u8a h PRO 155 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.75 1u8a h PRO 155 Cb 1.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1u8a h PRO 155 CO 0.60 -0.01 0.59 0.78 -0.21 0.00 0.00 178.00 179.75 1u8a h GLY 156 N -0.01 1.35 1.31 -0.55 0.00 -1.99 0.96 103.07 104.14 1u8a h GLY 156 Ca 0.26 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1u8a h GLY 156 CO -0.57 0.17 -0.40 0.00 0.00 0.00 0.00 176.54 175.74 1u8a h ALA 157 N 1.56 0.71 -0.28 3.60 0.00 -1.60 -1.08 119.26 122.16 1u8a h ALA 157 Ca 0.44 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1u8a h ALA 157 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u8a h ALA 157 CO -0.20 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 179.98 1u8a h VAL 158 N 0.61 1.26 -0.45 0.00 2.07 -0.57 -0.11 116.25 119.06 1u8a h VAL 158 Ca 0.05 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1u8a h VAL 158 Cb 0.95 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 1u8a h VAL 158 CO 0.09 0.31 0.23 0.58 0.02 0.00 0.00 177.57 178.79 1u8a h VAL 159 N 0.28 0.98 -0.58 2.57 2.07 -0.71 -1.12 116.25 119.73 1u8a h VAL 159 Ca 0.08 -0.16 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1u8a h VAL 159 Cb 0.45 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1u8a h VAL 159 CO 0.02 0.08 -0.04 0.03 0.02 0.00 0.00 177.57 177.68 1u8a h ARG 160 N 0.46 1.05 -0.91 1.57 3.08 -1.10 0.76 114.38 119.29 1u8a h ARG 160 Ca 0.19 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1u8a h ARG 160 Cb 0.09 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1u8a h ARG 160 CO -0.13 1.05 0.60 1.25 -1.07 0.00 0.00 179.97 181.67 1u8a h HIS 161 N 0.94 1.12 0.05 3.04 2.76 -0.51 -0.39 115.15 122.16 1u8a h HIS 161 Ca 0.16 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1u8a h HIS 161 Cb 0.61 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1u8a h HIS 161 CO 0.04 0.67 -0.02 0.82 -1.30 0.00 0.00 177.93 178.14 1u8a h ILE 162 N 1.17 1.31 -0.82 6.26 2.04 -0.90 -3.05 117.51 123.53 1u8a h ILE 162 Ca 0.35 -1.45 0.18 0.00 1.00 0.00 0.00 64.86 64.93 1u8a h ILE 162 Cb -0.04 2.24 -0.11 0.00 -0.74 0.00 0.00 36.82 38.17 1u8a h ILE 162 CO -0.10 0.35 0.31 -0.07 0.00 0.00 0.00 178.15 178.65 1u8a h LEU 163 N -0.74 0.25 -1.29 1.44 3.38 -0.65 0.22 115.31 117.92 1u8a h LEU 163 Ca -0.01 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1u8a h LEU 163 Cb 0.63 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1u8a h LEU 163 CO 0.01 0.04 -0.11 0.77 0.09 0.00 0.00 178.44 179.24 1u8a h SER 164 N 0.40 0.33 -0.53 -0.43 4.64 -1.12 -2.95 113.55 113.90 1u8a h SER 164 Ca 0.48 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1u8a h SER 164 Cb 0.82 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1u8a h SER 164 CO -0.48 0.48 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1u8a n ARG 165 N -4.25 3.44 0.00 4.77 1.74 0.03 -5.11 116.66 117.27 1u8a n ARG 165 Ca 0.00 -2.40 0.13 0.00 -0.77 0.00 0.00 57.85 54.80 1u8a n ARG 165 Cb 0.28 -1.85 0.25 0.00 -1.02 0.00 0.00 32.46 30.11 1u8a n ARG 165 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39