#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub3 h LEU 3 N 0.00 0.87 -1.97 -2.67 5.85 -2.00 -2.27 115.31 113.12 1ub3 h LEU 3 Ca 0.00 -0.14 0.17 0.00 0.84 0.00 0.00 57.88 58.76 1ub3 h LEU 3 Cb 0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1ub3 h LEU 3 CO 0.00 0.76 0.51 0.00 -0.34 0.00 0.00 178.44 179.37 1ub3 h ALA 4 N 1.14 2.44 0.00 1.25 0.00 -1.88 0.40 119.26 122.61 1ub3 h ALA 4 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ub3 h ALA 4 Cb 0.13 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ub3 h ALA 4 CO -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 178.41 1ub3 n ALA 5 N -2.51 2.21 -0.20 0.00 0.00 -0.85 -1.52 120.51 117.63 1ub3 n ALA 5 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1ub3 n ALA 5 Cb 0.74 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ub3 n ALA 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ub3 n HIS 6 N -0.83 0.00 -4.68 0.00 -0.00 0.14 -4.58 115.22 105.27 1ub3 n HIS 6 Ca 0.10 -0.37 -0.33 0.00 -0.00 0.00 0.00 57.72 57.11 1ub3 n HIS 6 Cb 0.05 -0.04 -0.13 0.00 -0.00 0.00 0.00 29.99 29.87 1ub3 n HIS 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1ub3 s ILE 7 N -0.74 3.42 -0.62 1.59 1.01 -0.66 -0.42 121.20 124.77 1ub3 s ILE 7 Ca 0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 1ub3 s ILE 7 Cb 0.00 -2.42 0.16 0.00 0.01 0.00 0.00 42.46 40.21 1ub3 s ILE 7 CO 0.00 0.55 0.56 -1.81 0.00 0.00 0.00 174.94 174.25 1ub3 s ASP 8 N -0.21 6.28 -0.02 3.58 1.01 0.41 -1.39 116.67 126.33 1ub3 s ASP 8 Ca 0.02 -2.11 -0.30 0.00 0.71 0.00 0.00 52.55 50.87 1ub3 s ASP 8 Cb -0.13 -2.18 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 1ub3 s ASP 8 CO 0.03 -0.74 1.81 -2.28 0.21 0.00 0.00 175.17 174.19 1ub3 s HIS 9 N 1.09 1.65 -0.07 4.23 2.46 0.11 -2.87 115.29 121.89 1ub3 s HIS 9 Ca 0.08 -0.09 0.01 0.00 0.47 0.00 0.00 55.06 55.53 1ub3 s HIS 9 Cb -0.23 -4.07 -0.03 0.00 -0.13 0.00 0.00 32.58 28.12 1ub3 s HIS 9 CO -0.01 -4.61 -0.08 0.99 -2.47 0.00 0.00 174.74 168.56 1ub3 s THR 10 N 4.35 3.61 -0.33 0.89 2.01 -0.01 0.22 115.64 126.38 1ub3 s THR 10 Ca 0.81 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 1ub3 s THR 10 Cb -0.37 -2.48 0.12 0.00 0.01 0.00 0.00 72.50 69.79 1ub3 s THR 10 CO 0.35 0.59 0.18 -0.22 -0.69 0.00 0.00 174.62 174.83 1ub3 s LEU 11 N -0.67 0.79 -0.06 4.42 2.96 -0.14 -4.18 118.68 121.79 1ub3 s LEU 11 Ca 0.10 -1.81 0.09 0.00 -0.22 0.00 0.00 54.13 52.29 1ub3 s LEU 11 Cb -0.11 -0.37 0.14 0.00 0.50 0.00 0.00 46.19 46.35 1ub3 s LEU 11 CO 0.02 -0.36 1.03 0.18 -1.32 0.00 0.00 176.35 175.89 1ub3 n LEU 12 N 4.54 1.63 -4.77 -0.68 4.77 -1.26 -3.83 117.00 117.40 1ub3 n LEU 12 Ca 0.05 -2.16 -0.40 0.00 -0.03 0.00 0.00 56.01 53.47 1ub3 n LEU 12 Cb 0.39 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1ub3 n LEU 12 CO 0.10 0.51 0.95 -1.59 -1.33 0.00 0.00 177.39 176.03 1ub3 s LYS 13 N -1.64 4.07 0.28 3.23 -2.85 -1.26 -4.91 119.74 116.66 1ub3 s LYS 13 Ca 0.15 2.12 0.01 0.00 -1.00 0.00 0.00 55.97 57.25 1ub3 s LYS 13 Cb 0.13 -2.82 0.64 0.00 -2.06 0.00 0.00 37.83 33.73 1ub3 s LYS 13 CO 0.01 -0.40 1.68 -1.35 0.10 0.00 0.00 175.35 175.40 1ub3 h PRO 14 N 2.83 0.30 -0.67 1.78 0.11 -2.06 -1.86 132.00 132.44 1ub3 h PRO 14 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ub3 h PRO 14 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ub3 h PRO 14 CO 0.63 0.20 0.00 0.25 -0.21 0.00 0.00 178.00 178.87 1ub3 n THR 15 N -5.13 1.41 -1.66 -1.15 -2.24 -1.26 -4.96 114.28 99.29 1ub3 n THR 15 Ca 0.19 -0.80 -0.49 0.00 -2.27 0.00 0.00 64.05 60.69 1ub3 n THR 15 Cb 0.60 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 1ub3 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub3 n ALA 16 N 0.51 0.72 -2.10 6.98 0.00 -0.70 -4.96 120.51 120.94 1ub3 n ALA 16 Ca 0.17 0.41 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 1ub3 n ALA 16 Cb 0.72 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.85 1ub3 n ALA 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ub3 s THR 17 N 1.87 3.18 0.23 0.00 -4.23 -1.26 -4.95 115.64 110.48 1ub3 s THR 17 Ca 0.85 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1ub3 s THR 17 Cb -0.76 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.18 1ub3 s THR 17 CO 0.45 -0.05 1.90 0.25 -0.54 0.00 0.00 174.62 176.63 1ub3 h LEU 18 N 0.54 0.99 -0.83 4.79 5.85 -1.99 -0.02 115.31 124.65 1ub3 h LEU 18 Ca -0.42 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1ub3 h LEU 18 Cb 1.28 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1ub3 h LEU 18 CO 0.49 0.71 0.53 -0.08 -0.34 0.00 0.00 178.44 179.75 1ub3 h GLU 19 N 1.17 1.01 -0.31 1.25 4.81 -1.99 0.39 114.58 120.90 1ub3 h GLU 19 Ca 0.32 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.36 1ub3 h GLU 19 Cb -0.12 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.02 1ub3 h GLU 19 CO -0.08 0.67 -0.36 0.93 -0.73 0.00 0.00 179.01 179.44 1ub3 h GLU 20 N 1.04 0.70 -0.53 1.92 5.08 -1.73 -2.07 114.58 119.00 1ub3 h GLU 20 Ca 0.33 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1ub3 h GLU 20 Cb -0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ub3 h GLU 20 CO -0.11 0.96 0.11 0.28 -1.00 0.00 0.00 179.01 179.25 1ub3 h VAL 21 N 0.58 1.25 -0.68 3.13 2.07 -0.35 -1.01 116.25 121.24 1ub3 h VAL 21 Ca 0.06 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1ub3 h VAL 21 Cb 0.89 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1ub3 h VAL 21 CO 0.08 0.32 0.41 0.00 0.02 0.00 0.00 177.57 178.40 1ub3 h ALA 22 N 1.00 0.86 -0.58 1.67 0.00 -0.81 -0.73 119.26 120.66 1ub3 h ALA 22 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ub3 h ALA 22 Cb 0.36 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ub3 h ALA 22 CO 0.00 0.33 0.26 -0.22 0.00 0.00 0.00 179.25 179.63 1ub3 h LYS 23 N 0.92 0.83 -0.55 0.00 3.64 -0.98 -1.12 116.57 119.31 1ub3 h LYS 23 Ca 0.24 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 1ub3 h LYS 23 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1ub3 h LYS 23 CO -0.05 0.66 -0.11 0.00 -2.27 0.00 0.00 179.45 177.68 1ub3 h ALA 24 N 1.46 0.77 -0.63 5.00 0.00 -0.65 -0.53 119.26 124.69 1ub3 h ALA 24 Ca 0.20 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1ub3 h ALA 24 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ub3 h ALA 24 CO -0.02 0.67 0.10 0.00 0.00 0.00 0.00 179.25 180.00 1ub3 h ALA 25 N 0.94 0.83 -0.72 0.00 0.00 -0.66 -1.55 119.26 118.11 1ub3 h ALA 25 Ca 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1ub3 h ALA 25 Cb 0.68 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ub3 h ALA 25 CO 0.05 0.59 0.26 0.93 0.00 0.00 0.00 179.25 181.08 1ub3 h GLU 26 N 0.95 1.09 -0.62 0.00 4.39 -0.85 -1.99 114.58 117.56 1ub3 h GLU 26 Ca 0.19 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1ub3 h GLU 26 Cb 0.43 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1ub3 h GLU 26 CO 0.01 0.92 0.05 0.93 -1.16 0.00 0.00 179.01 179.76 1ub3 h GLU 27 N 1.04 1.05 -0.94 2.33 5.08 -0.83 -1.60 114.58 120.72 1ub3 h GLU 27 Ca 0.24 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ub3 h GLU 27 Cb 0.26 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1ub3 h GLU 27 CO -0.01 0.99 0.61 0.00 -1.00 0.00 0.00 179.01 179.60 1ub3 h ALA 28 N 1.07 1.32 0.05 3.43 0.00 -0.80 -0.33 119.26 123.99 1ub3 h ALA 28 Ca 0.18 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ub3 h ALA 28 Cb 0.49 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ub3 h ALA 28 CO 0.02 0.63 -0.02 -0.07 0.00 0.00 0.00 179.25 179.80 1ub3 h LEU 29 N 1.28 -0.06 0.27 0.00 3.38 -0.80 0.55 115.31 119.92 1ub3 h LEU 29 Ca 0.34 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ub3 h LEU 29 Cb -0.14 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ub3 h LEU 29 CO -0.07 0.47 -0.44 -0.08 0.09 0.00 0.00 178.44 178.40 1ub3 h GLU 30 N -0.60 -0.73 -0.00 1.13 4.57 -1.16 -3.06 114.58 114.73 1ub3 h GLU 30 Ca -0.01 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ub3 h GLU 30 Cb 0.53 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1ub3 h GLU 30 CO 0.01 -0.48 -0.16 0.66 -1.18 0.00 0.00 179.01 177.86 1ub3 n TYR 31 N -5.04 0.00 -3.12 0.92 4.02 -0.15 -4.98 117.16 108.81 1ub3 n TYR 31 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.66 1ub3 n TYR 31 Cb 0.37 -0.24 0.06 0.00 -0.02 0.00 0.00 39.34 39.51 1ub3 n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ub3 n GLY 32 N 1.35 -0.05 3.77 2.72 0.00 0.09 -4.84 105.19 108.23 1ub3 n GLY 32 Ca 0.12 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1ub3 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ub3 s PHE 33 N -3.22 2.97 0.28 1.61 0.08 -0.65 -4.17 117.98 114.87 1ub3 s PHE 33 Ca 0.24 1.46 -0.03 0.00 0.12 0.00 0.00 56.93 58.73 1ub3 s PHE 33 Cb -0.11 -3.59 0.39 0.00 -0.57 0.00 0.00 43.02 39.15 1ub3 s PHE 33 CO 0.48 -1.78 1.93 -0.92 -0.10 0.00 0.00 175.22 174.83 1ub3 h TYR 34 N 2.89 1.15 -4.24 0.36 5.03 -0.66 -3.42 116.97 118.08 1ub3 h TYR 34 Ca -0.49 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 60.71 1ub3 h TYR 34 Cb 1.24 -0.39 -0.15 0.00 1.55 0.00 0.00 36.73 38.98 1ub3 h TYR 34 CO 0.54 0.68 -0.62 0.20 -1.32 0.00 0.00 178.16 177.64 1ub3 s GLY 35 N -3.26 0.61 -0.19 1.82 0.00 -0.48 -0.76 107.32 105.06 1ub3 s GLY 35 Ca -0.12 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.38 1ub3 s GLY 35 CO 0.81 -1.25 -0.10 -2.27 0.00 0.00 0.00 173.10 170.29 1ub3 s LEU 36 N -2.96 2.16 -0.31 0.66 2.96 0.16 0.09 118.68 121.45 1ub3 s LEU 36 Ca 0.13 -0.84 -0.09 0.00 -0.22 0.00 0.00 54.13 53.11 1ub3 s LEU 36 Cb 0.07 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 1ub3 s LEU 36 CO -0.05 -0.15 0.14 0.00 -1.32 0.00 0.00 176.35 174.97 1ub3 s ILE 38 N 1.59 0.64 0.52 0.00 -5.25 -0.72 -0.97 121.20 117.01 1ub3 s ILE 38 Ca 0.04 -2.00 -0.23 0.00 -0.99 0.00 0.00 60.65 57.48 1ub3 s ILE 38 Cb -0.17 -2.65 -0.06 0.00 2.95 0.00 0.00 42.46 42.53 1ub3 s ILE 38 CO 0.06 0.00 1.36 -2.65 -1.79 0.00 0.00 174.94 171.92 1ub3 n PRO 39 N -0.52 1.81 -0.29 0.37 -0.02 -1.25 -4.24 135.00 130.86 1ub3 n PRO 39 Ca -0.00 0.66 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 1ub3 n PRO 39 Cb 0.66 -2.57 0.45 0.00 -0.02 0.00 0.00 33.50 32.02 1ub3 n PRO 39 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ub3 h PRO 40 N 1.62 0.51 0.00 0.52 0.11 -1.94 -1.25 132.00 131.58 1ub3 h PRO 40 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ub3 h PRO 40 Cb 1.30 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ub3 h PRO 40 CO 0.58 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.58 1ub3 n SER 41 N -4.60 0.00 -0.38 -2.05 3.41 -1.26 -2.68 113.62 106.06 1ub3 n SER 41 Ca 0.21 -0.62 0.05 0.00 -0.26 0.00 0.00 58.87 58.25 1ub3 n SER 41 Cb 0.67 -0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 1ub3 n SER 41 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ub3 n TYR 42 N -1.04 0.01 0.08 7.33 4.02 -0.47 -4.69 117.16 122.39 1ub3 n TYR 42 Ca 0.16 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.90 57.91 1ub3 n TYR 42 Cb 0.09 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.34 1ub3 n TYR 42 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ub3 h VAL 43 N 1.85 0.89 -0.48 -0.72 2.07 -1.56 -2.01 116.25 116.29 1ub3 h VAL 43 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1ub3 h VAL 43 Cb 0.40 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1ub3 h VAL 43 CO 0.00 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.83 1ub3 h ALA 44 N 0.81 0.60 -0.19 1.67 0.00 -1.81 -0.88 119.26 119.46 1ub3 h ALA 44 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 44 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ub3 h ALA 44 CO -0.00 -0.11 0.09 2.35 0.00 0.00 0.00 179.25 181.58 1ub3 h TRP 45 N 0.48 0.16 -0.58 0.00 7.01 -1.83 -1.21 115.95 119.98 1ub3 h TRP 45 Ca 0.21 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1ub3 h TRP 45 Cb 0.11 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.10 1ub3 h TRP 45 CO -0.10 0.09 0.25 0.28 -2.79 0.00 0.00 178.44 176.17 1ub3 h VAL 46 N 0.19 1.22 -0.56 2.65 2.07 -1.08 -0.93 116.25 119.81 1ub3 h VAL 46 Ca 0.08 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1ub3 h VAL 46 Cb 0.03 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1ub3 h VAL 46 CO -0.06 0.26 0.25 -0.09 0.02 0.00 0.00 177.57 177.94 1ub3 h ARG 47 N 0.80 0.79 0.00 1.57 9.65 -0.92 0.11 114.38 126.39 1ub3 h ARG 47 Ca 0.20 -0.11 -0.15 0.00 -1.10 0.00 0.00 59.98 58.82 1ub3 h ARG 47 Cb 0.16 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 1ub3 h ARG 47 CO -0.02 0.63 -0.70 0.00 2.80 0.00 0.00 179.97 182.68 1ub3 h ALA 48 N 1.48 0.65 0.08 2.80 0.00 -0.88 -2.89 119.26 120.50 1ub3 h ALA 48 Ca 0.19 -0.64 -0.31 0.00 0.00 0.00 0.00 54.91 54.15 1ub3 h ALA 48 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ub3 h ALA 48 CO -0.02 0.87 -1.68 -0.09 0.00 0.00 0.00 179.25 178.33 1ub3 h ARG 49 N 0.00 0.17 -2.20 0.00 9.65 -0.73 -3.37 114.38 117.90 1ub3 h ARG 49 Ca -0.01 -0.30 -0.58 0.00 -1.10 0.00 0.00 59.98 58.00 1ub3 h ARG 49 Cb 1.41 0.11 -0.41 0.00 -1.39 0.00 0.00 29.97 29.69 1ub3 h ARG 49 CO 0.09 0.96 -0.73 0.66 2.80 0.00 0.00 179.97 183.75 1ub3 n TYR 50 N -3.34 3.08 0.22 2.20 4.02 0.36 -4.88 117.16 118.82 1ub3 n TYR 50 Ca -0.20 -3.99 0.18 0.00 -0.01 0.00 0.00 57.90 53.88 1ub3 n TYR 50 Cb 1.04 -0.49 0.85 0.00 -0.02 0.00 0.00 39.34 40.72 1ub3 n TYR 50 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ub3 h PRO 51 N 3.44 0.00 -0.06 -0.72 0.13 -1.68 -2.35 132.00 130.75 1ub3 h PRO 51 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ub3 h PRO 51 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ub3 h PRO 51 CO 0.76 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.25 1ub3 n HIS 52 N -3.63 0.18 -1.58 1.56 8.25 -1.26 -5.03 115.22 113.70 1ub3 n HIS 52 Ca 0.01 -0.85 -0.46 0.00 -0.26 0.00 0.00 57.72 56.16 1ub3 n HIS 52 Cb 0.35 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 1ub3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ub3 n ALA 53 N -0.99 -0.43 0.41 -1.41 0.00 -0.89 -4.87 120.51 112.33 1ub3 n ALA 53 Ca 0.13 0.42 0.13 0.00 0.00 0.00 0.00 53.44 54.12 1ub3 n ALA 53 Cb 0.59 -2.02 0.34 0.00 0.00 0.00 0.00 19.45 18.36 1ub3 n ALA 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ub3 h PRO 54 N 2.55 0.00 -7.04 0.00 0.13 -1.96 -3.46 132.00 122.22 1ub3 h PRO 54 Ca -0.41 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.28 1ub3 h PRO 54 Cb 1.34 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1ub3 h PRO 54 CO 0.64 0.00 0.34 -0.59 -0.23 0.00 0.00 178.00 178.17 1ub3 s PHE 55 N -3.21 3.33 0.25 1.56 -0.12 -1.26 -4.99 117.98 113.55 1ub3 s PHE 55 Ca 0.08 1.63 -0.30 0.00 -0.05 0.00 0.00 56.93 58.29 1ub3 s PHE 55 Cb 0.09 -2.87 -0.09 0.00 -0.63 0.00 0.00 43.02 39.52 1ub3 s PHE 55 CO 0.61 -0.11 0.95 1.03 -0.05 0.00 0.00 175.22 177.65 1ub3 s ARG 56 N -3.07 4.82 -0.28 1.99 1.81 0.06 -4.86 118.95 119.41 1ub3 s ARG 56 Ca 0.61 1.50 -0.17 0.00 -1.72 0.00 0.00 55.73 55.95 1ub3 s ARG 56 Cb -0.10 -3.22 -0.03 0.00 -0.45 0.00 0.00 34.95 31.15 1ub3 s ARG 56 CO 0.14 0.47 0.45 -1.17 -0.68 0.00 0.00 175.30 174.52 1ub3 s LEU 57 N -1.29 4.10 0.07 2.53 2.96 -1.26 -0.66 118.68 125.12 1ub3 s LEU 57 Ca 0.42 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.75 1ub3 s LEU 57 Cb -0.26 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 1ub3 s LEU 57 CO 0.32 -0.27 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.12 1ub3 s VAL 58 N 2.22 2.14 0.34 1.68 1.01 0.16 0.26 120.40 128.21 1ub3 s VAL 58 Ca 0.18 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.72 1ub3 s VAL 58 Cb -0.16 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1ub3 s VAL 58 CO 0.10 0.29 0.38 0.28 0.00 0.00 0.00 175.10 176.15 1ub3 s THR 59 N -0.87 0.00 0.10 3.92 -1.32 -0.96 -1.76 115.64 114.75 1ub3 s THR 59 Ca 0.12 -1.81 0.09 0.00 -1.21 0.00 0.00 61.69 58.88 1ub3 s THR 59 Cb -0.10 -2.58 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1ub3 s THR 59 CO 0.03 0.00 -0.20 0.68 -2.21 0.00 0.00 174.62 172.92 1ub3 s VAL 60 N -3.21 2.67 -0.02 5.08 -7.23 -1.26 -0.81 120.40 115.61 1ub3 s VAL 60 Ca 0.36 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1ub3 s VAL 60 Cb 0.01 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1ub3 s VAL 60 CO 0.25 0.17 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.36 1ub3 s VAL 61 N -1.06 1.30 -1.46 1.32 1.01 -0.55 -4.62 120.40 116.34 1ub3 s VAL 61 Ca 0.16 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.36 1ub3 s VAL 61 Cb -0.10 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.24 1ub3 s VAL 61 CO 0.08 0.37 0.79 0.61 0.00 0.00 0.00 175.10 176.95 1ub3 n GLY 62 N 2.88 -0.51 3.77 4.51 0.00 -1.26 -1.87 105.19 112.72 1ub3 n GLY 62 Ca -0.16 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1ub3 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ub3 s PHE 63 N -3.18 3.38 -2.24 1.61 5.36 -1.26 -0.87 117.98 120.78 1ub3 s PHE 63 Ca 0.51 0.33 0.18 0.00 -0.96 0.00 0.00 56.93 57.00 1ub3 s PHE 63 Cb -0.25 -1.90 0.13 0.00 -0.34 0.00 0.00 43.02 40.66 1ub3 s PHE 63 CO 0.63 0.55 1.07 -0.35 -1.46 0.00 0.00 175.22 175.66 1ub3 n PRO 64 N 2.28 1.57 0.15 10.12 -0.04 -1.26 -4.86 135.00 142.95 1ub3 n PRO 64 Ca -0.19 -1.53 0.08 0.00 -0.04 0.00 0.00 63.50 61.82 1ub3 n PRO 64 Cb 0.54 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.71 1ub3 n PRO 64 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ub3 h LEU 65 N 3.47 0.00 0.00 1.53 3.38 -1.96 -3.48 115.31 118.25 1ub3 h LEU 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ub3 h LEU 65 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ub3 h LEU 65 CO 0.00 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1ub3 n GLY 66 N 1.19 0.50 1.66 0.83 0.00 -0.04 -4.44 105.19 104.87 1ub3 n GLY 66 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1ub3 n GLY 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ub3 n TYR 67 N -2.13 1.76 -1.53 1.61 -0.00 -1.26 -3.43 117.16 112.18 1ub3 n TYR 67 Ca 0.00 -0.71 -0.32 0.00 -0.00 0.00 0.00 57.90 56.88 1ub3 n TYR 67 Cb 0.05 -0.48 0.06 0.00 -0.00 0.00 0.00 39.34 38.97 1ub3 n TYR 67 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1ub3 s GLN 68 N -2.42 2.68 0.60 -3.48 1.11 -1.26 -4.98 119.66 111.90 1ub3 s GLN 68 Ca 0.43 1.15 -0.19 0.00 0.01 0.00 0.00 55.36 56.76 1ub3 s GLN 68 Cb 0.34 -1.95 -0.03 0.00 -1.01 0.00 0.00 33.01 30.36 1ub3 s GLN 68 CO 0.12 -1.32 1.27 -1.21 0.01 0.00 0.00 175.29 174.17 1ub3 s GLU 69 N -4.69 2.89 0.24 2.91 0.41 -1.26 -4.83 118.70 114.37 1ub3 s GLU 69 Ca 0.62 2.01 -0.05 0.00 -0.41 0.00 0.00 54.97 57.13 1ub3 s GLU 69 Cb -0.17 -1.99 0.34 0.00 -1.78 0.00 0.00 34.13 30.53 1ub3 s GLU 69 CO 0.51 -1.32 1.84 -0.22 -0.49 0.00 0.00 175.26 175.58 1ub3 h LYS 70 N 0.94 0.91 -0.18 1.61 3.64 -1.96 -0.71 116.57 120.82 1ub3 h LYS 70 Ca -0.51 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1ub3 h LYS 70 Cb 1.31 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1ub3 h LYS 70 CO 0.55 0.60 -0.13 0.93 -2.27 0.00 0.00 179.45 179.13 1ub3 h GLU 71 N 0.94 0.29 -0.09 1.90 3.07 -1.97 -1.58 114.58 117.14 1ub3 h GLU 71 Ca 0.37 -0.07 -0.24 0.00 -0.50 0.00 0.00 59.36 58.93 1ub3 h GLU 71 Cb 0.19 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1ub3 h GLU 71 CO -0.18 0.43 -0.87 0.28 -1.40 0.00 0.00 179.01 177.27 1ub3 h VAL 72 N 0.27 1.28 -0.66 3.13 2.07 -1.65 -1.43 116.25 119.26 1ub3 h VAL 72 Ca 0.05 -2.07 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1ub3 h VAL 72 Cb 0.41 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1ub3 h VAL 72 CO 0.02 0.65 0.26 0.11 0.02 0.00 0.00 177.57 178.64 1ub3 h LYS 73 N 0.45 0.99 -0.35 1.57 1.57 -0.86 0.89 116.57 120.84 1ub3 h LYS 73 Ca -0.08 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1ub3 h LYS 73 Cb 1.51 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1ub3 h LYS 73 CO 0.18 0.83 0.06 0.00 -0.57 0.00 0.00 179.45 179.95 1ub3 h ALA 74 N 1.11 0.46 -0.38 3.86 0.00 -1.29 -1.03 119.26 122.01 1ub3 h ALA 74 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ub3 h ALA 74 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ub3 h ALA 74 CO -0.02 0.16 0.23 1.25 0.00 0.00 0.00 179.25 180.87 1ub3 h LEU 75 N 0.42 0.45 -0.64 0.00 5.85 -1.04 -0.92 115.31 119.43 1ub3 h LEU 75 Ca 0.11 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ub3 h LEU 75 Cb 0.34 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1ub3 h LEU 75 CO 0.01 0.35 0.37 -0.08 -0.34 0.00 0.00 178.44 178.75 1ub3 h GLU 76 N 0.50 0.87 -0.21 1.25 4.81 -0.69 -0.55 114.58 120.55 1ub3 h GLU 76 Ca 0.14 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1ub3 h GLU 76 Cb -0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ub3 h GLU 76 CO -0.03 0.64 0.09 0.00 -0.73 0.00 0.00 179.01 178.99 1ub3 h ALA 77 N 1.18 0.28 -0.64 2.92 0.00 -0.91 -1.22 119.26 120.87 1ub3 h ALA 77 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ub3 h ALA 77 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ub3 h ALA 77 CO -0.04 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.48 1ub3 h ALA 78 N 0.94 0.81 -0.68 0.00 0.00 -0.91 -1.08 119.26 118.33 1ub3 h ALA 78 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ub3 h ALA 78 Cb 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1ub3 h ALA 78 CO -0.01 0.25 0.15 1.25 0.00 0.00 0.00 179.25 180.90 1ub3 h LEU 79 N 0.86 1.04 -0.38 0.00 5.85 -0.97 -0.71 115.31 121.01 1ub3 h LEU 79 Ca 0.23 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ub3 h LEU 79 Cb -0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 1ub3 h LEU 79 CO -0.05 1.01 0.14 0.00 -0.34 0.00 0.00 178.44 179.21 1ub3 h ALA 80 N 1.12 0.49 -0.42 1.25 0.00 -0.77 -0.96 119.26 119.97 1ub3 h ALA 80 Ca 0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1ub3 h ALA 80 Cb 0.39 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ub3 h ALA 80 CO 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 1ub3 h ALA 82 N 0.86 1.71 -0.00 0.00 0.00 -0.96 -1.36 119.26 119.50 1ub3 h ALA 82 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ub3 h ALA 82 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ub3 h ALA 82 CO 0.04 0.27 -0.04 0.54 0.00 0.00 0.00 179.25 180.06 1ub3 n ARG 83 N -4.48 0.95 0.00 0.00 1.74 -0.38 -4.90 116.66 109.60 1ub3 n ARG 83 Ca 0.03 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1ub3 n ARG 83 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1ub3 n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub3 n GLY 84 N 1.16 1.05 3.75 -0.13 0.00 -0.51 -3.84 105.19 106.68 1ub3 n GLY 84 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1ub3 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 85 N -0.69 3.56 -0.11 4.61 0.00 -0.21 -4.75 121.76 124.17 1ub3 s ALA 85 Ca 0.00 1.26 0.16 0.00 0.00 0.00 0.00 51.96 53.38 1ub3 s ALA 85 Cb 0.00 -3.51 -0.22 0.00 0.00 0.00 0.00 23.12 19.38 1ub3 s ALA 85 CO 0.00 -0.67 0.50 -0.25 0.00 0.00 0.00 175.76 175.34 1ub3 n ASP 86 N 1.80 0.54 -3.98 0.00 10.43 0.14 -4.41 116.55 121.07 1ub3 n ASP 86 Ca 0.04 0.25 -0.09 0.00 2.57 0.00 0.00 54.79 57.56 1ub3 n ASP 86 Cb 0.41 0.45 -0.11 0.00 1.84 0.00 0.00 41.12 43.72 1ub3 n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1ub3 s GLU 87 N -2.69 0.40 -0.05 -1.24 2.02 -0.87 -1.99 118.70 114.27 1ub3 s GLU 87 Ca -0.06 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.26 1ub3 s GLU 87 Cb 0.08 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1ub3 s GLU 87 CO 0.83 -0.07 -0.10 0.14 0.02 0.00 0.00 175.26 176.08 1ub3 s VAL 88 N -1.92 0.91 -0.40 2.63 -7.23 -0.37 -2.26 120.40 111.77 1ub3 s VAL 88 Ca -0.11 -0.38 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1ub3 s VAL 88 Cb -0.06 -0.84 0.08 0.00 0.56 0.00 0.00 36.38 36.12 1ub3 s VAL 88 CO -0.02 0.30 0.21 -1.81 -0.31 0.00 0.00 175.10 173.46 1ub3 s ASP 89 N 0.55 5.43 0.05 4.85 1.11 0.01 -0.63 116.67 128.03 1ub3 s ASP 89 Ca -0.10 -1.64 -0.01 0.00 0.18 0.00 0.00 52.55 50.99 1ub3 s ASP 89 Cb -0.13 -1.90 -0.04 0.00 1.07 0.00 0.00 42.92 41.91 1ub3 s ASP 89 CO 0.02 -0.51 0.21 0.00 1.18 0.00 0.00 175.17 176.07 1ub3 s MET 90 N 1.32 3.45 -0.11 8.23 0.23 0.13 -1.48 119.30 131.06 1ub3 s MET 90 Ca 0.03 -0.40 -0.08 0.00 -1.03 0.00 0.00 55.69 54.21 1ub3 s MET 90 Cb -0.23 -3.05 -0.04 0.00 -1.53 0.00 0.00 34.83 29.98 1ub3 s MET 90 CO -0.00 0.62 0.18 0.08 -2.03 0.00 0.00 175.02 173.86 1ub3 s VAL 91 N -1.48 5.44 0.77 5.16 1.01 -0.78 0.35 120.40 130.87 1ub3 s VAL 91 Ca 0.34 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1ub3 s VAL 91 Cb -0.13 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1ub3 s VAL 91 CO 0.26 0.61 1.08 -0.76 0.00 0.00 0.00 175.10 176.29 1ub3 s LEU 92 N -0.97 2.81 -0.58 3.92 1.43 -0.99 -4.72 118.68 119.58 1ub3 s LEU 92 Ca 0.16 1.54 -0.28 0.00 -1.03 0.00 0.00 54.13 54.52 1ub3 s LEU 92 Cb -0.13 -4.23 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1ub3 s LEU 92 CO 0.05 -1.91 1.29 -2.28 0.23 0.00 0.00 176.35 173.74 1ub3 s HIS 93 N -3.03 2.45 0.15 0.29 5.65 -1.22 -4.37 115.29 115.20 1ub3 s HIS 93 Ca 0.60 0.40 0.31 0.00 0.25 0.00 0.00 55.06 56.63 1ub3 s HIS 93 Cb -0.15 -4.47 1.29 0.00 -1.18 0.00 0.00 32.58 28.07 1ub3 s HIS 93 CO 0.55 -1.79 1.96 -0.07 -0.65 0.00 0.00 174.74 174.74 1ub3 h LEU 94 N 12.50 0.00 0.03 8.88 3.38 -1.78 -1.35 115.31 136.98 1ub3 h LEU 94 Ca -0.26 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.46 1ub3 h LEU 94 Cb 1.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 1ub3 h LEU 94 CO 1.19 0.07 -1.00 1.23 0.09 0.00 0.00 178.44 180.01 1ub3 h GLY 95 N 1.90 0.70 1.53 0.83 0.00 -1.90 -0.33 103.07 105.80 1ub3 h GLY 95 Ca -0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 47.33 45.91 1ub3 h GLY 95 CO 0.01 1.13 -0.45 3.21 0.00 0.00 0.00 176.54 180.44 1ub3 h ARG 96 N 0.25 0.51 -0.20 4.80 2.47 -1.90 -1.76 114.38 118.54 1ub3 h ARG 96 Ca -0.14 -0.27 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 1ub3 h ARG 96 Cb 1.68 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.00 1ub3 h ARG 96 CO 0.20 0.86 0.04 0.00 0.56 0.00 0.00 179.97 181.63 1ub3 h ALA 97 N 1.10 0.27 -0.81 0.04 0.00 -1.21 -0.09 119.26 118.57 1ub3 h ALA 97 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ub3 h ALA 97 Cb 0.95 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1ub3 h ALA 97 CO 0.08 -0.08 0.53 -0.22 0.00 0.00 0.00 179.25 179.57 1ub3 h LYS 98 N 0.14 1.04 0.00 0.00 1.63 -0.93 -0.85 116.57 117.60 1ub3 h LYS 98 Ca 0.06 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ub3 h LYS 98 Cb 0.29 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1ub3 h LYS 98 CO 0.00 0.69 0.00 0.00 -3.45 0.00 0.00 179.45 176.69 1ub3 n ALA 99 N -2.41 2.14 -1.01 5.00 0.00 -0.67 -4.90 120.51 118.66 1ub3 n ALA 99 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ub3 n ALA 99 Cb 0.04 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.11 1ub3 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 100 N 0.78 0.43 3.21 0.00 0.00 -0.32 -4.95 105.19 104.33 1ub3 n GLY 100 Ca 0.09 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1ub3 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ub3 n ASP 101 N 1.53 4.63 0.07 1.61 -0.08 -0.12 -4.76 116.55 119.43 1ub3 n ASP 101 Ca -0.00 -2.92 0.02 0.00 -1.51 0.00 0.00 54.79 50.38 1ub3 n ASP 101 Cb 0.01 -1.67 0.36 0.00 2.34 0.00 0.00 41.12 42.16 1ub3 n ASP 101 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ub3 h LEU 102 N 10.94 0.33 -0.88 -2.67 3.38 -1.93 -2.50 115.31 121.98 1ub3 h LEU 102 Ca 0.47 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.33 1ub3 h LEU 102 Cb 0.77 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ub3 h LEU 102 CO 1.60 0.44 0.21 0.44 0.09 0.00 0.00 178.44 181.22 1ub3 h ASP 103 N 0.34 0.96 -0.43 -0.43 3.32 -1.98 -1.24 116.42 116.97 1ub3 h ASP 103 Ca 0.07 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ub3 h ASP 103 Cb 0.33 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1ub3 h ASP 103 CO 0.01 0.90 0.22 0.22 -1.72 0.00 0.00 179.24 178.87 1ub3 h TYR 104 N 1.00 0.60 -0.23 4.55 3.20 -1.85 -1.13 116.97 123.10 1ub3 h TYR 104 Ca 0.22 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1ub3 h TYR 104 Cb 0.28 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1ub3 h TYR 104 CO 0.02 0.47 0.13 -0.07 -1.64 0.00 0.00 178.16 177.08 1ub3 h LEU 105 N 0.55 0.28 -0.89 2.82 3.38 -1.27 -0.90 115.31 119.28 1ub3 h LEU 105 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ub3 h LEU 105 Cb 0.08 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1ub3 h LEU 105 CO -0.02 0.26 0.50 -0.08 0.09 0.00 0.00 178.44 179.19 1ub3 h GLU 106 N 0.27 1.23 -0.70 1.13 4.81 -1.08 -1.95 114.58 118.29 1ub3 h GLU 106 Ca 0.08 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1ub3 h GLU 106 Cb 0.04 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1ub3 h GLU 106 CO -0.01 0.88 0.17 0.00 -0.73 0.00 0.00 179.01 179.32 1ub3 h ALA 107 N 1.27 0.92 -0.04 2.92 0.00 -0.84 -0.10 119.26 123.40 1ub3 h ALA 107 Ca 0.31 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1ub3 h ALA 107 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ub3 h ALA 107 CO -0.05 0.65 -0.78 1.05 0.00 0.00 0.00 179.25 180.12 1ub3 h GLU 108 N 1.06 0.28 -0.46 0.00 4.11 -0.94 -1.12 114.58 117.51 1ub3 h GLU 108 Ca 0.22 -0.26 -0.10 0.00 0.07 0.00 0.00 59.36 59.29 1ub3 h GLU 108 Cb 0.38 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ub3 h GLU 108 CO 0.00 0.93 -0.10 0.28 0.07 0.00 0.00 179.01 180.19 1ub3 h VAL 109 N 0.18 1.27 -0.77 -1.06 2.07 -1.22 -2.06 116.25 114.66 1ub3 h VAL 109 Ca -0.03 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1ub3 h VAL 109 Cb 1.36 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1ub3 h VAL 109 CO 0.12 0.42 0.46 -0.09 0.02 0.00 0.00 177.57 178.50 1ub3 h ARG 110 N 0.72 1.06 -0.49 1.57 9.65 -0.90 0.19 114.38 126.17 1ub3 h ARG 110 Ca 0.12 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1ub3 h ARG 110 Cb 0.64 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1ub3 h ARG 110 CO 0.04 0.76 0.30 0.00 2.80 0.00 0.00 179.97 183.87 1ub3 h ALA 111 N 1.24 0.62 -0.30 2.80 0.00 -0.96 0.22 119.26 122.88 1ub3 h ALA 111 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ub3 h ALA 111 Cb -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ub3 h ALA 111 CO -0.05 0.10 -0.14 0.28 0.00 0.00 0.00 179.25 179.44 1ub3 h VAL 112 N 0.66 1.29 -0.65 0.00 2.07 -1.02 -2.03 116.25 116.57 1ub3 h VAL 112 Ca 0.18 -1.24 0.12 0.00 0.82 0.00 0.00 66.70 66.58 1ub3 h VAL 112 Cb -0.02 1.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.12 1ub3 h VAL 112 CO -0.03 0.40 0.19 -0.09 0.02 0.00 0.00 177.57 178.06 1ub3 h ARG 113 N 0.38 0.33 0.00 1.57 9.65 -0.28 -0.81 114.38 125.21 1ub3 h ARG 113 Ca 0.07 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.85 1ub3 h ARG 113 Cb 0.66 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1ub3 h ARG 113 CO 0.04 0.22 -0.38 0.93 2.80 0.00 0.00 179.97 183.58 1ub3 h GLU 114 N 0.34 0.00 -0.02 0.20 5.08 -0.85 -2.89 114.58 116.45 1ub3 h GLU 114 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.52 1ub3 h GLU 114 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1ub3 h GLU 114 CO -0.39 0.38 -0.81 0.00 -1.00 0.00 0.00 179.01 177.19 1ub3 h ALA 115 N 1.62 0.59 -2.11 3.43 0.00 -0.43 -3.37 119.26 118.99 1ub3 h ALA 115 Ca -0.00 -0.68 -0.58 0.00 0.00 0.00 0.00 54.91 53.64 1ub3 h ALA 115 Cb 0.88 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.18 1ub3 h ALA 115 CO 0.05 0.87 -0.83 1.33 0.00 0.00 0.00 179.25 180.67 1ub3 n VAL 116 N -3.71 0.98 -0.25 0.00 0.24 -0.63 -4.64 118.33 110.32 1ub3 n VAL 116 Ca -0.03 -4.67 0.12 0.00 -2.04 0.00 0.00 64.34 57.71 1ub3 n VAL 116 Cb 0.76 -2.04 0.39 0.00 -1.47 0.00 0.00 33.84 31.49 1ub3 n VAL 116 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ub3 h PRO 117 N 4.11 0.64 -0.00 7.34 0.13 -1.69 -2.58 132.00 139.95 1ub3 h PRO 117 Ca 0.14 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ub3 h PRO 117 Cb 0.76 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1ub3 h PRO 117 CO 0.67 0.42 -0.48 1.04 -0.23 0.00 0.00 178.00 179.42 1ub3 n GLN 118 N -4.54 0.01 -2.85 0.86 6.02 -1.26 -4.95 117.38 110.67 1ub3 n GLN 118 Ca 0.16 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.92 1ub3 n GLN 118 Cb 0.46 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.24 1ub3 n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ub3 s ALA 119 N -2.99 3.74 -0.20 -1.58 0.00 -0.97 -5.03 121.76 114.72 1ub3 s ALA 119 Ca 0.11 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.78 1ub3 s ALA 119 Cb 0.18 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 1ub3 s ALA 119 CO 0.69 -0.50 0.68 0.08 0.00 0.00 0.00 175.76 176.71 1ub3 s VAL 120 N -2.64 4.98 -0.27 0.00 1.01 -0.84 -4.97 120.40 117.66 1ub3 s VAL 120 Ca 0.51 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.68 1ub3 s VAL 120 Cb -0.10 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ub3 s VAL 120 CO 0.39 0.07 0.10 -0.22 0.00 0.00 0.00 175.10 175.44 1ub3 s LEU 121 N 2.08 3.67 -0.10 3.92 2.96 -1.26 -1.23 118.68 128.72 1ub3 s LEU 121 Ca 0.30 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1ub3 s LEU 121 Cb -0.16 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1ub3 s LEU 121 CO 0.10 -0.08 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.48 1ub3 s LYS 122 N 1.62 3.07 -0.22 1.98 1.02 0.20 -0.43 119.74 126.97 1ub3 s LYS 122 Ca 0.06 -0.48 -0.02 0.00 0.02 0.00 0.00 55.97 55.54 1ub3 s LYS 122 Cb -0.16 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1ub3 s LYS 122 CO 0.05 0.58 -0.08 0.08 -0.92 0.00 0.00 175.35 175.06 1ub3 s VAL 123 N -0.55 2.97 -0.20 3.17 1.01 -0.30 -0.70 120.40 125.81 1ub3 s VAL 123 Ca 0.09 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 1ub3 s VAL 123 Cb -0.12 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1ub3 s VAL 123 CO 0.02 0.37 0.81 -0.63 0.00 0.00 0.00 175.10 175.67 1ub3 s ILE 124 N 1.40 4.88 -0.44 2.22 1.01 0.16 -0.51 121.20 129.91 1ub3 s ILE 124 Ca 0.04 1.56 0.23 0.00 0.00 0.00 0.00 60.65 62.48 1ub3 s ILE 124 Cb -0.15 -4.11 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1ub3 s ILE 124 CO -0.06 0.00 0.97 0.18 0.00 0.00 0.00 174.94 176.04 1ub3 n LEU 125 N 5.48 0.59 -3.56 2.97 4.77 -0.37 -2.34 117.00 124.54 1ub3 n LEU 125 Ca 0.04 0.08 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1ub3 n LEU 125 Cb 0.48 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1ub3 n LEU 125 CO 0.47 -0.03 -0.02 1.21 -1.33 0.00 0.00 177.39 177.70 1ub3 n GLU 126 N -2.19 -1.35 0.16 3.23 4.07 -0.78 -4.83 120.64 118.95 1ub3 n GLU 126 Ca 0.01 0.72 0.19 0.00 -0.06 0.00 0.00 57.16 58.01 1ub3 n GLU 126 Cb 0.48 -4.25 0.77 0.00 -0.06 0.00 0.00 31.44 28.37 1ub3 n GLU 126 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ub3 h THR 127 N -1.18 0.28 0.00 6.31 1.35 -1.59 -2.75 112.91 115.34 1ub3 h THR 127 Ca -0.54 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1ub3 h THR 127 Cb 1.30 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1ub3 h THR 127 CO 0.43 0.00 0.07 1.23 -0.25 0.00 0.00 175.52 177.00 1ub3 h GLY 128 N 0.00 0.00 -0.61 5.82 0.00 -1.85 -1.38 103.07 105.06 1ub3 h GLY 128 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1ub3 h GLY 128 CO -0.00 0.00 -0.34 -1.72 0.00 0.00 0.00 176.54 174.48 1ub3 n TYR 129 N -2.90 0.00 -4.27 5.60 4.01 -1.04 -4.91 117.16 113.66 1ub3 n TYR 129 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1ub3 n TYR 129 Cb 0.13 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 1ub3 n TYR 129 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ub3 s PHE 130 N -2.43 1.49 0.70 -0.72 0.08 -0.52 -5.06 117.98 111.52 1ub3 s PHE 130 Ca 0.22 -0.55 -0.11 0.00 0.12 0.00 0.00 56.93 56.61 1ub3 s PHE 130 Cb 0.19 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.88 1ub3 s PHE 130 CO 0.52 0.19 1.09 -1.54 -0.10 0.00 0.00 175.22 175.38 1ub3 s SER 131 N -2.59 5.52 0.23 1.36 1.04 -1.26 -4.80 113.70 113.20 1ub3 s SER 131 Ca 0.12 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 57.69 1ub3 s SER 131 Cb -0.04 -2.04 0.39 0.00 0.10 0.00 0.00 66.02 64.43 1ub3 s SER 131 CO 0.04 -1.30 1.75 -0.65 0.98 0.00 0.00 173.24 174.05 1ub3 h PRO 132 N -0.63 0.47 -0.64 4.02 0.11 -1.99 0.06 132.00 133.40 1ub3 h PRO 132 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1ub3 h PRO 132 Cb 1.24 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ub3 h PRO 132 CO 0.63 0.31 0.17 0.93 -0.21 0.00 0.00 178.00 179.83 1ub3 h GLU 133 N 0.48 1.00 -0.28 1.05 3.07 -2.00 -1.78 114.58 116.13 1ub3 h GLU 133 Ca 0.38 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1ub3 h GLU 133 Cb 0.51 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1ub3 h GLU 133 CO -0.35 0.88 0.00 0.93 -1.40 0.00 0.00 179.01 179.08 1ub3 h GLU 134 N 0.96 0.49 -0.88 2.33 5.08 -1.60 -2.74 114.58 118.22 1ub3 h GLU 134 Ca 0.21 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1ub3 h GLU 134 Cb 0.33 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1ub3 h GLU 134 CO -0.00 0.64 0.56 0.82 -1.00 0.00 0.00 179.01 180.03 1ub3 h ILE 135 N 0.28 1.11 -0.72 3.13 2.04 -0.80 -0.91 117.51 121.64 1ub3 h ILE 135 Ca 0.08 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1ub3 h ILE 135 Cb 0.42 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1ub3 h ILE 135 CO 0.01 0.19 0.47 0.00 0.00 0.00 0.00 178.15 178.83 1ub3 h ALA 136 N 1.38 0.91 -0.52 1.87 0.00 -1.20 0.22 119.26 121.92 1ub3 h ALA 136 Ca 0.36 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1ub3 h ALA 136 Cb 0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ub3 h ALA 136 CO -0.14 0.34 -0.13 0.00 0.00 0.00 0.00 179.25 179.32 1ub3 h ARG 137 N 0.97 0.99 -0.65 0.00 3.08 -1.06 -1.80 114.38 115.91 1ub3 h ARG 137 Ca 0.26 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 1ub3 h ARG 137 Cb -0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 1ub3 h ARG 137 CO -0.06 1.05 0.09 -0.07 -1.07 0.00 0.00 179.97 179.91 1ub3 h LEU 138 N 0.88 1.06 -0.75 3.04 3.38 -0.80 -1.92 115.31 120.19 1ub3 h LEU 138 Ca 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ub3 h LEU 138 Cb 0.69 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1ub3 h LEU 138 CO 0.05 1.06 0.35 0.00 0.09 0.00 0.00 178.44 179.99 1ub3 h ALA 139 N 1.04 0.97 -0.52 1.53 0.00 -0.76 -1.25 119.26 120.26 1ub3 h ALA 139 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 139 Cb 0.47 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ub3 h ALA 139 CO 0.02 0.55 0.16 1.49 0.00 0.00 0.00 179.25 181.46 1ub3 h GLU 140 N 1.06 0.81 -0.64 0.00 4.57 -1.07 -0.85 114.58 118.46 1ub3 h GLU 140 Ca 0.26 -0.18 -0.03 0.00 -1.18 0.00 0.00 59.36 58.23 1ub3 h GLU 140 Cb 0.13 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1ub3 h GLU 140 CO -0.03 0.75 0.29 0.00 -1.18 0.00 0.00 179.01 178.85 1ub3 h ALA 141 N 1.02 0.83 -0.73 2.92 0.00 -1.06 -0.69 119.26 121.55 1ub3 h ALA 141 Ca 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ub3 h ALA 141 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ub3 h ALA 141 CO -0.00 0.41 0.25 0.00 0.00 0.00 0.00 179.25 179.90 1ub3 h ALA 142 N 1.13 0.95 -0.42 0.00 0.00 -0.98 -1.22 119.26 118.72 1ub3 h ALA 142 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 142 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ub3 h ALA 142 CO -0.02 0.62 0.09 0.82 0.00 0.00 0.00 179.25 180.75 1ub3 h ILE 143 N 1.07 1.24 -0.12 0.00 2.04 -0.81 -1.86 117.51 119.07 1ub3 h ILE 143 Ca 0.24 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ub3 h ILE 143 Cb 0.28 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1ub3 h ILE 143 CO -0.01 0.29 0.02 0.03 0.00 0.00 0.00 178.15 178.48 1ub3 h ARG 144 N 0.55 0.16 0.00 2.37 3.08 -0.82 -1.39 114.38 118.33 1ub3 h ARG 144 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ub3 h ARG 144 Cb 0.35 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ub3 h ARG 144 CO 0.00 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1ub3 n GLY 145 N -1.36 -1.38 0.00 0.04 0.00 -0.49 -4.90 105.19 97.09 1ub3 n GLY 145 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ub3 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 146 N 1.00 1.25 3.76 -0.02 0.00 -0.52 -3.28 105.19 107.39 1ub3 n GLY 146 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1ub3 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 n ALA 147 N -1.19 2.17 -0.04 4.61 0.00 -0.75 -4.90 120.51 120.41 1ub3 n ALA 147 Ca 0.00 0.34 -0.11 0.00 0.00 0.00 0.00 53.44 53.66 1ub3 n ALA 147 Cb 0.00 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 16.91 1ub3 n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ub3 n ASP 148 N 0.44 0.87 -4.12 0.00 8.00 0.43 -4.80 116.55 117.37 1ub3 n ASP 148 Ca 0.02 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 1ub3 n ASP 148 Cb 0.39 0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 1ub3 n ASP 148 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ub3 s PHE 149 N -2.56 0.91 -0.22 1.24 0.40 -0.76 -0.79 117.98 116.20 1ub3 s PHE 149 Ca -0.10 -0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.68 1ub3 s PHE 149 Cb 0.07 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 43.09 1ub3 s PHE 149 CO 0.81 -0.03 -0.09 -0.51 0.70 0.00 0.00 175.22 176.09 1ub3 s LEU 150 N -1.85 2.75 -0.13 -0.37 1.43 0.24 -1.15 118.68 119.61 1ub3 s LEU 150 Ca -0.04 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1ub3 s LEU 150 Cb -0.08 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1ub3 s LEU 150 CO 0.01 -0.04 0.01 -0.75 0.23 0.00 0.00 176.35 175.80 1ub3 s LYS 151 N 1.38 3.45 0.08 1.70 2.20 0.34 -0.70 119.74 128.19 1ub3 s LYS 151 Ca 0.04 -0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.06 1ub3 s LYS 151 Cb -0.15 -2.95 -0.08 0.00 -1.51 0.00 0.00 37.83 33.14 1ub3 s LYS 151 CO -0.06 0.47 1.51 1.79 -0.36 0.00 0.00 175.35 178.70 1ub3 h THR 152 N 4.60 1.26 -3.83 3.43 1.35 -1.67 -0.98 112.91 117.06 1ub3 h THR 152 Ca -0.42 -0.95 -0.10 0.00 -0.55 0.00 0.00 66.41 64.39 1ub3 h THR 152 Cb 1.19 1.39 -0.13 0.00 -1.73 0.00 0.00 68.15 68.87 1ub3 h THR 152 CO 0.61 0.30 -0.31 -0.44 -0.25 0.00 0.00 175.52 175.43 1ub3 s SER 153 N -5.98 0.04 0.11 5.36 0.01 -1.26 -1.47 113.70 110.50 1ub3 s SER 153 Ca -0.14 -0.80 0.15 0.00 1.31 0.00 0.00 55.95 56.48 1ub3 s SER 153 Cb 0.07 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.62 1ub3 s SER 153 CO 0.75 -0.87 0.99 0.71 0.41 0.00 0.00 173.24 175.24 1ub3 h THR 154 N 2.56 0.72 0.00 1.44 1.35 -1.87 -3.43 112.91 113.69 1ub3 h THR 154 Ca -0.32 -2.24 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 1ub3 h THR 154 Cb 1.22 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1ub3 h THR 154 CO 0.49 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1ub3 n GLY 155 N 1.37 0.73 0.00 5.82 0.00 -1.26 -4.85 105.19 106.99 1ub3 n GLY 155 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1ub3 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ub3 n PHE 156 N -2.00 0.00 -1.49 1.61 3.01 -1.26 -4.95 117.46 112.37 1ub3 n PHE 156 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1ub3 n PHE 156 Cb 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1ub3 n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ub3 n GLY 157 N -0.04 0.88 0.37 1.37 0.00 -1.26 -4.99 105.19 101.52 1ub3 n GLY 157 Ca 0.00 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1ub3 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ub3 h PRO 158 N 0.00 0.77 -2.98 1.61 0.11 -1.96 -3.46 132.00 126.09 1ub3 h PRO 158 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ub3 h PRO 158 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1ub3 h PRO 158 CO 0.00 0.51 0.28 -0.98 -0.21 0.00 0.00 178.00 177.60 1ub3 s ARG 159 N -5.75 2.13 0.00 1.05 1.70 -1.26 -5.08 118.95 111.74 1ub3 s ARG 159 Ca -0.10 -1.34 0.00 0.00 -0.47 0.00 0.00 55.73 53.82 1ub3 s ARG 159 Cb 0.21 0.62 0.00 0.00 -0.57 0.00 0.00 34.95 35.21 1ub3 s ARG 159 CO 0.79 -0.99 0.00 0.41 -1.08 0.00 0.00 175.30 174.43 1ub3 n GLY 160 N -0.52 2.74 3.77 3.88 0.00 -1.26 -4.71 105.19 109.09 1ub3 n GLY 160 Ca -0.07 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1ub3 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 161 N -2.45 3.06 0.10 4.61 0.00 -0.61 -4.88 121.76 121.59 1ub3 s ALA 161 Ca 0.00 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1ub3 s ALA 161 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1ub3 s ALA 161 CO 0.00 -0.55 -0.13 -1.54 0.00 0.00 0.00 175.76 173.54 1ub3 s SER 162 N -1.30 1.72 0.29 0.00 1.04 -1.26 -4.97 113.70 109.23 1ub3 s SER 162 Ca 0.60 -0.76 -0.02 0.00 0.48 0.00 0.00 55.95 56.25 1ub3 s SER 162 Cb -0.29 -0.04 0.42 0.00 0.10 0.00 0.00 66.02 66.22 1ub3 s SER 162 CO 0.35 -0.17 1.91 -0.07 0.98 0.00 0.00 173.24 176.25 1ub3 h LEU 163 N 3.72 0.89 -0.53 2.42 3.38 -1.98 -1.91 115.31 121.31 1ub3 h LEU 163 Ca -0.39 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1ub3 h LEU 163 Cb 1.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1ub3 h LEU 163 CO 0.49 0.72 0.26 -0.08 0.09 0.00 0.00 178.44 179.91 1ub3 h GLU 164 N 1.01 0.48 0.31 1.13 4.81 -1.99 0.01 114.58 120.33 1ub3 h GLU 164 Ca 0.26 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1ub3 h GLU 164 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1ub3 h GLU 164 CO -0.04 0.32 -0.23 -0.44 -0.73 0.00 0.00 179.01 177.89 1ub3 h ASP 165 N 0.49 -0.59 -0.17 1.04 3.32 -1.78 -0.91 116.42 117.83 1ub3 h ASP 165 Ca 0.24 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.36 1ub3 h ASP 165 Cb 0.17 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1ub3 h ASP 165 CO -0.18 -0.35 -0.01 0.58 -1.72 0.00 0.00 179.24 177.56 1ub3 h VAL 166 N -0.54 0.86 -0.77 -1.35 2.07 -1.09 -0.63 116.25 114.81 1ub3 h VAL 166 Ca -0.02 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ub3 h VAL 166 Cb 0.47 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1ub3 h VAL 166 CO -0.00 0.01 0.50 0.00 0.02 0.00 0.00 177.57 178.10 1ub3 h ALA 167 N 1.15 0.99 -0.32 1.67 0.00 -0.92 -0.67 119.26 121.16 1ub3 h ALA 167 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ub3 h ALA 167 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ub3 h ALA 167 CO -0.15 0.35 0.14 1.25 0.00 0.00 0.00 179.25 180.85 1ub3 h LEU 168 N 1.01 0.42 -0.61 0.00 6.46 -0.76 -1.18 115.31 120.65 1ub3 h LEU 168 Ca 0.29 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 1ub3 h LEU 168 Cb -0.07 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 1ub3 h LEU 168 CO -0.08 0.44 0.08 -0.07 -0.62 0.00 0.00 178.44 178.19 1ub3 h LEU 169 N 0.37 1.00 -0.48 2.25 3.38 -0.82 -0.03 115.31 120.98 1ub3 h LEU 169 Ca 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ub3 h LEU 169 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1ub3 h LEU 169 CO -0.01 1.02 0.19 0.58 0.09 0.00 0.00 178.44 180.30 1ub3 h VAL 170 N 0.94 1.21 -0.22 1.22 2.07 -1.01 0.73 116.25 121.18 1ub3 h VAL 170 Ca 0.18 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1ub3 h VAL 170 Cb 0.46 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1ub3 h VAL 170 CO 0.02 0.24 0.05 -0.09 0.02 0.00 0.00 177.57 177.81 1ub3 h ARG 171 N 0.63 0.35 -0.61 1.57 2.43 -1.00 -2.74 114.38 115.01 1ub3 h ARG 171 Ca 0.16 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1ub3 h ARG 171 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1ub3 h ARG 171 CO -0.01 0.47 0.03 0.28 -1.51 0.00 0.00 179.97 179.23 1ub3 h VAL 172 N 0.17 1.26 -0.89 0.20 2.07 -0.89 -3.07 116.25 115.11 1ub3 h VAL 172 Ca 0.07 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1ub3 h VAL 172 Cb 0.28 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1ub3 h VAL 172 CO 0.00 0.41 0.54 0.00 0.02 0.00 0.00 177.57 178.53 1ub3 h ALA 173 N 1.05 1.27 -6.10 1.67 0.00 -0.80 -3.47 119.26 112.88 1ub3 h ALA 173 Ca 0.18 -0.10 -0.43 0.00 0.00 0.00 0.00 54.91 54.56 1ub3 h ALA 173 Cb 0.52 -0.36 0.04 0.00 0.00 0.00 0.00 17.79 17.99 1ub3 h ALA 173 CO 0.02 0.63 -0.76 1.04 0.00 0.00 0.00 179.25 180.18 1ub3 n GLN 174 N -4.36 -6.03 -0.93 0.00 1.13 -1.04 -1.39 117.38 104.77 1ub3 n GLN 174 Ca 0.10 0.68 0.00 0.00 -1.94 0.00 0.00 57.00 55.83 1ub3 n GLN 174 Cb 0.06 -5.54 0.00 0.00 0.11 0.00 0.00 30.24 24.88 1ub3 n GLN 174 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ub3 n GLY 175 N -1.69 0.50 0.08 1.08 0.00 -1.26 -4.84 105.19 99.05 1ub3 n GLY 175 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1ub3 n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub3 n ARG 176 N -1.85 0.22 -3.47 1.61 1.74 -0.48 -4.88 116.66 109.54 1ub3 n ARG 176 Ca 0.00 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.09 1ub3 n ARG 176 Cb 0.09 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 1ub3 n ARG 176 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ub3 s ALA 177 N -3.10 -1.64 0.59 7.54 0.00 -1.26 -4.94 121.76 118.95 1ub3 s ALA 177 Ca 0.10 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 1ub3 s ALA 177 Cb 0.14 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1ub3 s ALA 177 CO 0.62 -0.59 0.87 -0.65 0.00 0.00 0.00 175.76 176.00 1ub3 s GLN 178 N -2.65 2.69 -0.06 0.00 -0.21 0.03 -4.84 119.66 114.62 1ub3 s GLN 178 Ca -0.04 -0.29 0.05 0.00 0.02 0.00 0.00 55.36 55.10 1ub3 s GLN 178 Cb -0.01 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1ub3 s GLN 178 CO -0.03 -0.77 -0.22 0.08 -2.12 0.00 0.00 175.29 172.22 1ub3 s VAL 179 N -2.94 1.87 -0.19 1.09 1.01 -1.26 -0.59 120.40 119.38 1ub3 s VAL 179 Ca 0.55 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 1ub3 s VAL 179 Cb -0.10 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1ub3 s VAL 179 CO 0.43 0.52 -0.16 -0.75 0.00 0.00 0.00 175.10 175.14 1ub3 s LYS 180 N -0.01 3.09 -0.12 2.72 2.20 0.12 -1.29 119.74 126.46 1ub3 s LYS 180 Ca -0.06 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.56 1ub3 s LYS 180 Cb -0.14 -2.67 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 1ub3 s LYS 180 CO 0.04 -0.20 0.59 0.00 -0.36 0.00 0.00 175.35 175.42 1ub3 s ALA 181 N 1.32 3.44 0.02 3.13 0.00 -0.70 -1.89 121.76 127.08 1ub3 s ALA 181 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.84 1ub3 s ALA 181 Cb -0.13 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.16 1ub3 s ALA 181 CO -0.10 -0.16 0.15 0.00 0.00 0.00 0.00 175.76 175.65 1ub3 s ALA 182 N 0.97 -0.28 0.00 0.00 0.00 -1.26 -0.22 121.76 120.96 1ub3 s ALA 182 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1ub3 s ALA 182 Cb -0.16 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1ub3 s ALA 182 CO 0.13 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1ub3 n GLY 183 N 1.02 -0.56 2.51 0.00 0.00 -1.15 -1.57 105.19 105.43 1ub3 n GLY 183 Ca -0.20 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.75 1ub3 n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 184 N 1.86 0.48 3.54 -0.02 0.00 -1.26 -1.81 105.19 107.98 1ub3 n GLY 184 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1ub3 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub3 s ILE 185 N -1.68 4.07 -0.08 -0.61 1.01 -1.26 -4.80 121.20 117.84 1ub3 s ILE 185 Ca 0.00 0.45 0.07 0.00 0.00 0.00 0.00 60.65 61.16 1ub3 s ILE 185 Cb 0.00 -4.73 -0.09 0.00 0.01 0.00 0.00 42.46 37.65 1ub3 s ILE 185 CO 0.00 -1.45 0.17 0.54 0.00 0.00 0.00 174.94 174.21 1ub3 n ARG 186 N 8.37 1.28 -4.32 2.79 5.12 -1.26 -4.54 116.66 124.09 1ub3 n ARG 186 Ca 0.04 -0.05 -0.24 0.00 -1.93 0.00 0.00 57.85 55.67 1ub3 n ARG 186 Cb 0.48 -1.07 -0.12 0.00 -1.16 0.00 0.00 32.46 30.59 1ub3 n ARG 186 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1ub3 s ASP 187 N -2.49 2.74 0.32 0.55 -4.77 -1.26 -4.64 116.67 107.12 1ub3 s ASP 187 Ca -0.01 -0.75 0.01 0.00 -3.30 0.00 0.00 52.55 48.49 1ub3 s ASP 187 Cb 0.04 -0.16 0.55 0.00 -1.09 0.00 0.00 42.92 42.26 1ub3 s ASP 187 CO 0.27 0.05 1.98 -0.09 0.70 0.00 0.00 175.17 178.08 1ub3 h ARG 188 N 3.77 0.95 0.40 2.11 2.43 -1.85 -2.15 114.38 120.05 1ub3 h ARG 188 Ca -0.46 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1ub3 h ARG 188 Cb 1.19 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1ub3 h ARG 188 CO 0.43 0.63 -0.25 1.49 -1.51 0.00 0.00 179.97 180.76 1ub3 h GLU 189 N 0.98 -0.60 -0.52 0.20 4.81 -1.97 -0.09 114.58 117.39 1ub3 h GLU 189 Ca 0.29 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.61 1ub3 h GLU 189 Cb -0.04 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1ub3 h GLU 189 CO -0.07 -0.40 0.26 1.15 -0.73 0.00 0.00 179.01 179.21 1ub3 h THR 190 N -0.62 0.93 -0.35 0.32 2.02 -1.92 -1.93 112.91 111.36 1ub3 h THR 190 Ca -0.04 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1ub3 h THR 190 Cb 0.51 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1ub3 h THR 190 CO 0.04 0.09 0.17 0.00 0.37 0.00 0.00 175.52 176.20 1ub3 h ALA 191 N 1.29 0.43 -0.73 6.16 0.00 -1.07 -1.95 119.26 123.39 1ub3 h ALA 191 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ub3 h ALA 191 Cb 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ub3 h ALA 191 CO -0.18 -0.20 0.39 -0.07 0.00 0.00 0.00 179.25 179.19 1ub3 h LEU 192 N 0.35 0.91 -0.44 0.00 3.38 -0.72 -2.04 115.31 116.77 1ub3 h LEU 192 Ca 0.15 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1ub3 h LEU 192 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ub3 h LEU 192 CO -0.11 0.74 -0.19 0.03 0.09 0.00 0.00 178.44 179.00 1ub3 h ARG 193 N 1.03 0.90 -0.47 1.13 3.08 -1.03 -1.31 114.38 117.71 1ub3 h ARG 193 Ca 0.26 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1ub3 h ARG 193 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1ub3 h ARG 193 CO -0.04 1.04 0.07 0.52 -1.07 0.00 0.00 179.97 180.49 1ub3 h MET 194 N 0.73 0.74 -0.30 0.04 2.86 -0.93 -1.58 114.93 116.48 1ub3 h MET 194 Ca 0.10 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1ub3 h MET 194 Cb 0.76 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ub3 h MET 194 CO 0.06 0.70 -0.29 -0.07 1.06 0.00 0.00 176.91 178.37 1ub3 h LEU 195 N 0.71 0.78 -1.35 1.22 3.38 -1.01 -2.08 115.31 116.96 1ub3 h LEU 195 Ca 0.15 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1ub3 h LEU 195 Cb 0.33 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ub3 h LEU 195 CO 0.01 1.09 -0.31 0.50 0.09 0.00 0.00 178.44 179.82 1ub3 h LYS 196 N 0.49 0.03 0.00 1.13 3.64 -1.11 -1.76 116.57 118.99 1ub3 h LYS 196 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1ub3 h LYS 196 Cb 0.86 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1ub3 h LYS 196 CO 0.07 0.33 0.00 0.00 -2.27 0.00 0.00 179.45 177.59 1ub3 n ALA 197 N -2.48 1.67 0.00 5.00 0.00 -0.61 -4.85 120.51 119.24 1ub3 n ALA 197 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ub3 n ALA 197 Cb 0.36 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1ub3 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 198 N 0.00 1.47 3.74 0.00 0.00 -0.66 -4.60 105.19 105.14 1ub3 n GLY 198 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1ub3 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 199 N -1.67 3.51 -1.32 4.61 0.00 -0.80 -4.55 121.76 121.54 1ub3 s ALA 199 Ca 0.00 1.11 0.16 0.00 0.00 0.00 0.00 51.96 53.23 1ub3 s ALA 199 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1ub3 s ALA 199 CO 0.00 -0.52 0.81 -1.13 0.00 0.00 0.00 175.76 174.92 1ub3 n SER 200 N 2.22 1.45 -3.82 0.00 3.41 -0.41 -4.30 113.62 112.17 1ub3 n SER 200 Ca 0.05 -1.22 -0.12 0.00 -0.26 0.00 0.00 58.87 57.31 1ub3 n SER 200 Cb 0.43 0.56 -0.11 0.00 -0.26 0.00 0.00 64.21 64.83 1ub3 n SER 200 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ub3 s ARG 201 N -1.97 0.41 -0.13 4.33 6.06 -1.20 -4.81 118.95 121.63 1ub3 s ARG 201 Ca 0.12 -0.05 0.02 0.00 -2.50 0.00 0.00 55.73 53.32 1ub3 s ARG 201 Cb 0.13 0.18 0.01 0.00 0.06 0.00 0.00 34.95 35.33 1ub3 s ARG 201 CO 0.44 -0.09 -0.19 -0.51 -2.50 0.00 0.00 175.30 172.45 1ub3 s LEU 202 N -0.69 1.95 -0.30 -0.88 1.43 0.43 -1.72 118.68 118.90 1ub3 s LEU 202 Ca -0.08 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1ub3 s LEU 202 Cb -0.04 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 1ub3 s LEU 202 CO 0.01 0.05 0.32 -0.83 0.23 0.00 0.00 176.35 176.13 1ub3 s GLY 203 N 0.93 1.90 -0.10 -3.19 0.00 0.69 -0.45 107.32 107.11 1ub3 s GLY 203 Ca -0.06 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.35 1ub3 s GLY 203 CO -0.03 0.90 0.62 -1.08 0.00 0.00 0.00 173.10 173.52 1ub3 s THR 204 N 1.97 0.01 -1.55 0.90 -1.32 -1.14 -2.95 115.64 111.55 1ub3 s THR 204 Ca 0.12 -0.06 0.26 0.00 -1.21 0.00 0.00 61.69 60.79 1ub3 s THR 204 Cb -0.16 -0.92 0.16 0.00 -1.51 0.00 0.00 72.50 70.07 1ub3 s THR 204 CO 0.11 -0.03 1.47 -1.20 -2.21 0.00 0.00 174.62 172.75 1ub3 n SER 205 N 1.47 0.97 -2.06 8.08 7.64 -1.26 -0.83 113.62 127.62 1ub3 n SER 205 Ca -0.18 -0.78 -0.23 0.00 1.01 0.00 0.00 58.87 58.69 1ub3 n SER 205 Cb 0.56 0.22 0.15 0.00 -1.01 0.00 0.00 64.21 64.14 1ub3 n SER 205 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ub3 n SER 206 N -0.85 4.51 -0.30 6.43 7.64 -1.26 -4.73 113.62 125.04 1ub3 n SER 206 Ca 0.10 -3.69 0.09 0.00 1.01 0.00 0.00 58.87 56.38 1ub3 n SER 206 Cb 0.35 -0.82 0.25 0.00 -1.01 0.00 0.00 64.21 62.98 1ub3 n SER 206 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ub3 h GLY 207 N 1.28 1.45 1.06 0.23 0.00 -1.90 -2.04 103.07 103.14 1ub3 h GLY 207 Ca 0.55 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.51 1ub3 h GLY 207 CO 1.09 -0.08 -0.19 -2.08 0.00 0.00 0.00 176.54 175.28 1ub3 h VAL 208 N 0.60 1.27 -0.30 4.60 2.07 -1.94 -2.67 116.25 119.89 1ub3 h VAL 208 Ca 0.49 -1.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1ub3 h VAL 208 Cb 0.75 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1ub3 h VAL 208 CO -0.39 0.45 0.09 0.00 0.02 0.00 0.00 177.57 177.74 1ub3 h ALA 209 N 0.84 0.39 -1.00 1.67 0.00 -1.75 0.85 119.26 120.26 1ub3 h ALA 209 Ca 0.10 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 209 Cb 0.75 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ub3 h ALA 209 CO 0.06 0.03 0.64 -0.07 0.00 0.00 0.00 179.25 179.91 1ub3 h LEU 210 N 0.32 0.99 -1.12 0.00 3.38 -1.05 -3.27 115.31 114.56 1ub3 h LEU 210 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ub3 h LEU 210 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ub3 h LEU 210 CO -0.00 0.59 -0.27 1.33 0.09 0.00 0.00 178.44 180.18 1ub3 n VAL 211 N -4.55 0.00 -0.93 1.22 0.24 -0.89 -4.75 118.33 108.67 1ub3 n VAL 211 Ca 0.17 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1ub3 n VAL 211 Cb 0.25 1.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1ub3 n VAL 211 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69