#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub3 n ASP 2 N 0.00 5.77 0.00 3.17 5.75 -1.26 -4.70 116.55 125.28 1ub3 n ASP 2 Ca 0.00 -2.86 -0.03 0.00 -0.01 0.00 0.00 54.79 51.89 1ub3 n ASP 2 Cb 0.00 -1.57 0.22 0.00 -1.03 0.00 0.00 41.12 38.75 1ub3 n ASP 2 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1ub3 h LEU 3 N 8.36 0.51 -1.61 -2.12 5.85 -1.99 -2.84 115.31 121.47 1ub3 h LEU 3 Ca 0.62 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.29 1ub3 h LEU 3 Cb 0.51 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1ub3 h LEU 3 CO 1.77 0.70 0.41 0.00 -0.34 0.00 0.00 178.44 180.97 1ub3 h ALA 4 N 1.35 1.99 0.00 1.25 0.00 -1.87 -0.05 119.26 121.93 1ub3 h ALA 4 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ub3 h ALA 4 Cb 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ub3 h ALA 4 CO 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1ub3 n ALA 5 N -2.51 1.67 0.03 0.00 0.00 -1.07 -1.43 120.51 117.20 1ub3 n ALA 5 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1ub3 n ALA 5 Cb 0.36 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.21 0.02 -4.13 0.00 -0.00 -0.04 -4.56 115.22 105.30 1ub3 n HIS 6 Ca 0.05 -0.19 -0.35 0.00 -0.00 0.00 0.00 57.72 57.24 1ub3 n HIS 6 Cb 0.06 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.99 29.94 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 -0.44 4.62 -0.66 1.59 1.01 -0.65 0.01 121.20 126.68 1ub3 s ILE 7 Ca 0.02 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.41 1ub3 s ILE 7 Cb 0.01 -3.04 0.16 0.00 0.01 0.00 0.00 42.46 39.60 1ub3 s ILE 7 CO 0.02 0.50 0.64 -1.81 0.00 0.00 0.00 174.94 174.29 1ub3 s ASP 8 N 0.03 6.42 0.00 3.58 1.11 0.28 -1.58 116.67 126.51 1ub3 s ASP 8 Ca 0.05 -2.10 -0.30 0.00 0.18 0.00 0.00 52.55 50.38 1ub3 s ASP 8 Cb -0.12 -2.23 -0.07 0.00 1.07 0.00 0.00 42.92 41.57 1ub3 s ASP 8 CO 0.01 -0.78 1.75 -2.28 1.18 0.00 0.00 175.17 175.05 1ub3 s HIS 9 N 1.21 1.87 -0.03 4.23 2.46 0.90 -2.93 115.29 123.00 1ub3 s HIS 9 Ca 0.10 0.02 0.04 0.00 0.47 0.00 0.00 55.06 55.69 1ub3 s HIS 9 Cb -0.21 -4.03 -0.03 0.00 -0.13 0.00 0.00 32.58 28.18 1ub3 s HIS 9 CO -0.02 -4.38 -0.13 0.99 -2.47 0.00 0.00 174.74 168.73 1ub3 s THR 10 N 3.84 3.21 -0.30 0.89 2.01 -0.03 -0.02 115.64 125.23 1ub3 s THR 10 Ca 0.78 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 1ub3 s THR 10 Cb -0.38 -2.31 0.11 0.00 0.01 0.00 0.00 72.50 69.94 1ub3 s THR 10 CO 0.34 0.51 0.18 -0.22 -0.69 0.00 0.00 174.62 174.74 1ub3 s LEU 11 N -0.99 0.48 -0.04 4.42 2.96 -0.40 -4.14 118.68 120.98 1ub3 s LEU 11 Ca 0.13 -1.38 0.06 0.00 -0.22 0.00 0.00 54.13 52.72 1ub3 s LEU 11 Cb -0.11 -0.20 0.08 0.00 0.50 0.00 0.00 46.19 46.47 1ub3 s LEU 11 CO 0.03 -0.40 0.94 0.18 -1.32 0.00 0.00 176.35 175.77 1ub3 n LEU 12 N 5.01 1.14 -4.77 -0.68 4.77 -1.26 -3.80 117.00 117.41 1ub3 n LEU 12 Ca -0.02 -1.62 -0.40 0.00 -0.03 0.00 0.00 56.01 53.95 1ub3 n LEU 12 Cb 0.42 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 1ub3 n LEU 12 CO 0.05 0.39 0.96 -1.59 -1.33 0.00 0.00 177.39 175.87 1ub3 s LYS 13 N -1.06 4.07 0.31 3.23 -2.85 -1.26 -4.90 119.74 117.29 1ub3 s LYS 13 Ca 0.09 2.15 0.09 0.00 -1.00 0.00 0.00 55.97 57.30 1ub3 s LYS 13 Cb 0.08 -2.83 0.85 0.00 -2.06 0.00 0.00 37.83 33.87 1ub3 s LYS 13 CO 0.01 -0.40 1.74 -1.35 0.10 0.00 0.00 175.35 175.44 1ub3 h PRO 14 N 2.86 0.59 -0.62 1.78 0.11 -2.06 -1.64 132.00 133.02 1ub3 h PRO 14 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ub3 h PRO 14 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ub3 h PRO 14 CO 0.63 0.39 0.00 0.25 -0.21 0.00 0.00 178.00 179.06 1ub3 n THR 15 N -4.87 1.35 -1.66 -1.15 -2.24 -1.26 -4.95 114.28 99.49 1ub3 n THR 15 Ca 0.26 -0.86 -0.49 0.00 -2.27 0.00 0.00 64.05 60.69 1ub3 n THR 15 Cb 0.71 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.76 0.65 -2.05 6.98 0.00 -0.62 -4.95 120.51 121.27 1ub3 n ALA 16 Ca 0.19 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.84 1ub3 n ALA 16 Cb 0.69 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.83 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 1.97 2.99 0.27 0.00 -4.23 -1.26 -4.94 115.64 110.44 1ub3 s THR 17 Ca 0.86 -0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1ub3 s THR 17 Cb -0.77 -3.08 0.24 0.00 1.34 0.00 0.00 72.50 70.23 1ub3 s THR 17 CO 0.46 -0.05 1.92 0.25 -0.54 0.00 0.00 174.62 176.67 1ub3 h LEU 18 N 0.32 1.04 -0.99 4.79 5.85 -1.99 -0.44 115.31 123.89 1ub3 h LEU 18 Ca -0.42 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 1ub3 h LEU 18 Cb 1.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1ub3 h LEU 18 CO 0.51 0.79 -0.04 1.05 -0.34 0.00 0.00 178.44 180.40 1ub3 h GLU 19 N 1.20 0.68 -0.20 1.25 4.11 -1.99 0.01 114.58 119.64 1ub3 h GLU 19 Ca 0.31 -0.19 -0.15 0.00 0.07 0.00 0.00 59.36 59.41 1ub3 h GLU 19 Cb -0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1ub3 h GLU 19 CO -0.06 0.73 -0.51 0.93 0.07 0.00 0.00 179.01 180.17 1ub3 h GLU 20 N 0.64 0.56 -0.50 1.06 5.08 -1.74 -1.63 114.58 118.05 1ub3 h GLU 20 Ca 0.12 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 1ub3 h GLU 20 Cb 0.46 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1ub3 h GLU 20 CO 0.02 0.94 0.07 0.28 -1.00 0.00 0.00 179.01 179.33 1ub3 h VAL 21 N 0.44 1.25 -0.96 3.13 2.07 -0.67 -0.78 116.25 120.73 1ub3 h VAL 21 Ca 0.02 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ub3 h VAL 21 Cb 1.05 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1ub3 h VAL 21 CO 0.10 0.34 0.59 0.00 0.02 0.00 0.00 177.57 178.61 1ub3 h ALA 22 N 0.96 1.22 -0.56 1.67 0.00 -0.83 -1.23 119.26 120.50 1ub3 h ALA 22 Ca 0.15 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 22 Cb 0.41 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ub3 h ALA 22 CO 0.01 0.67 0.16 -0.22 0.00 0.00 0.00 179.25 179.87 1ub3 h LYS 23 N 1.32 0.88 -0.81 0.00 3.64 -0.92 -2.30 116.57 118.38 1ub3 h LYS 23 Ca 0.35 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1ub3 h LYS 23 Cb -0.07 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 1ub3 h LYS 23 CO -0.07 0.81 0.40 0.00 -2.27 0.00 0.00 179.45 178.33 1ub3 h ALA 24 N 1.03 1.19 -0.58 5.00 0.00 -0.57 -0.98 119.26 124.35 1ub3 h ALA 24 Ca 0.18 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 24 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ub3 h ALA 24 CO -0.00 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.97 1ub3 h ALA 25 N 1.30 1.07 -0.01 0.00 0.00 -0.94 -1.72 119.26 118.95 1ub3 h ALA 25 Ca 0.28 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1ub3 h ALA 25 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ub3 h ALA 25 CO -0.04 0.60 -0.78 0.93 0.00 0.00 0.00 179.25 179.96 1ub3 h GLU 26 N 0.88 0.14 -0.44 0.00 5.08 -0.97 -2.10 114.58 117.17 1ub3 h GLU 26 Ca 0.18 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1ub3 h GLU 26 Cb 0.39 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1ub3 h GLU 26 CO 0.01 0.85 -0.10 0.93 -1.00 0.00 0.00 179.01 179.70 1ub3 h GLU 27 N 0.09 0.78 -0.39 2.33 5.08 -0.85 -0.77 114.58 120.86 1ub3 h GLU 27 Ca -0.02 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 1ub3 h GLU 27 Cb 1.36 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1ub3 h GLU 27 CO 0.11 0.85 -0.05 0.00 -1.00 0.00 0.00 179.01 178.93 1ub3 h ALA 28 N 1.18 1.19 -0.07 3.43 0.00 -0.82 0.05 119.26 124.21 1ub3 h ALA 28 Ca 0.12 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1ub3 h ALA 28 Cb 0.57 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ub3 h ALA 28 CO 0.04 0.53 -0.73 -0.07 0.00 0.00 0.00 179.25 179.01 1ub3 h LEU 29 N 0.61 0.75 0.29 0.00 3.38 -1.00 -0.48 115.31 118.87 1ub3 h LEU 29 Ca 0.12 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1ub3 h LEU 29 Cb 0.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ub3 h LEU 29 CO 0.02 1.33 -0.14 -0.33 0.09 0.00 0.00 178.44 179.41 1ub3 h GLU 30 N 0.24 -0.38 -0.01 1.13 5.08 -0.99 -3.23 114.58 116.42 1ub3 h GLU 30 Ca -0.07 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ub3 h GLU 30 Cb 1.39 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1ub3 h GLU 30 CO 0.15 -0.15 -0.15 0.66 -1.00 0.00 0.00 179.01 178.52 1ub3 n TYR 31 N -5.19 0.00 -3.14 4.33 4.02 -0.01 -4.97 117.16 112.19 1ub3 n TYR 31 Ca -0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.64 1ub3 n TYR 31 Cb 0.22 -0.05 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.28 -0.02 3.77 2.72 0.00 -0.25 -4.81 105.19 107.88 1ub3 n GLY 32 Ca 0.15 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.17 2.85 0.28 1.61 0.08 -0.82 -4.16 117.98 114.64 1ub3 s PHE 33 Ca 0.35 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.77 1ub3 s PHE 33 Cb -0.16 -3.68 0.37 0.00 -0.57 0.00 0.00 43.02 38.99 1ub3 s PHE 33 CO 0.44 -2.07 1.95 -0.92 -0.10 0.00 0.00 175.22 174.52 1ub3 h TYR 34 N 2.77 1.13 -4.34 0.36 5.03 -0.70 -3.41 116.97 117.81 1ub3 h TYR 34 Ca -0.50 0.03 -0.16 0.00 2.58 0.00 0.00 58.73 60.68 1ub3 h TYR 34 Cb 1.24 -0.38 -0.15 0.00 1.55 0.00 0.00 36.73 38.99 1ub3 h TYR 34 CO 0.53 0.71 -0.63 0.20 -1.32 0.00 0.00 178.16 177.65 1ub3 s GLY 35 N -3.23 0.80 -0.17 1.82 0.00 -0.61 -0.65 107.32 105.28 1ub3 s GLY 35 Ca -0.12 -1.35 -0.00 0.00 0.00 0.00 0.00 44.72 43.24 1ub3 s GLY 35 CO 0.80 -1.31 -0.07 -2.27 0.00 0.00 0.00 173.10 170.25 1ub3 s LEU 36 N -3.01 1.80 -0.30 0.66 2.96 -0.09 -0.07 118.68 120.64 1ub3 s LEU 36 Ca 0.19 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.30 1ub3 s LEU 36 Cb 0.07 -1.01 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1ub3 s LEU 36 CO -0.02 -0.17 0.10 0.00 -1.32 0.00 0.00 176.35 174.94 1ub3 s ILE 38 N 1.54 0.92 0.53 0.00 -5.25 -0.77 -1.27 121.20 116.90 1ub3 s ILE 38 Ca 0.03 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 57.47 1ub3 s ILE 38 Cb -0.17 -2.69 -0.06 0.00 2.95 0.00 0.00 42.46 42.49 1ub3 s ILE 38 CO 0.04 -0.03 1.31 -2.65 -1.79 0.00 0.00 174.94 171.82 1ub3 n PRO 39 N -0.57 1.68 -0.03 0.37 -0.02 -1.25 -4.19 135.00 130.98 1ub3 n PRO 39 Ca -0.01 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1ub3 n PRO 39 Cb 0.66 -2.51 0.62 0.00 -0.02 0.00 0.00 33.50 32.25 1ub3 n PRO 39 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ub3 h PRO 40 N 1.47 0.14 0.00 0.52 0.13 -1.94 -1.25 132.00 131.08 1ub3 h PRO 40 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ub3 h PRO 40 Cb 1.31 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ub3 h PRO 40 CO 0.57 0.09 0.00 -1.13 -0.23 0.00 0.00 178.00 177.30 1ub3 n SER 41 N -4.42 0.00 -0.39 1.44 3.41 -1.26 -2.74 113.62 109.66 1ub3 n SER 41 Ca 0.10 -0.68 0.05 0.00 -0.26 0.00 0.00 58.87 58.08 1ub3 n SER 41 Cb 0.52 -0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.05 0.01 -0.07 7.33 4.02 -0.47 -4.67 117.16 122.26 1ub3 n TYR 42 Ca 0.18 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.90 57.96 1ub3 n TYR 42 Cb 0.11 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 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 1.89 1.09 -0.79 -0.72 2.07 -1.56 -2.39 116.25 115.85 1ub3 h VAL 43 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ub3 h VAL 43 Cb 0.41 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1ub3 h VAL 43 CO 0.00 0.09 0.51 0.00 0.02 0.00 0.00 177.57 178.19 1ub3 h ALA 44 N 1.07 1.01 -0.17 1.67 0.00 -1.81 -1.52 119.26 119.52 1ub3 h ALA 44 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ub3 h ALA 44 Cb -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ub3 h ALA 44 CO -0.02 0.36 0.06 2.35 0.00 0.00 0.00 179.25 182.00 1ub3 h TRP 45 N 1.02 0.26 -0.61 0.00 7.01 -1.83 -0.99 115.95 120.80 1ub3 h TRP 45 Ca 0.30 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 1ub3 h TRP 45 Cb -0.05 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 26.90 1ub3 h TRP 45 CO -0.02 0.33 0.30 0.28 -2.79 0.00 0.00 178.44 176.54 1ub3 h VAL 46 N 0.11 1.21 -0.39 2.65 2.07 -1.21 -0.98 116.25 119.72 1ub3 h VAL 46 Ca 0.06 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1ub3 h VAL 46 Cb 0.18 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ub3 h VAL 46 CO -0.00 0.24 -0.10 -0.09 0.02 0.00 0.00 177.57 177.64 1ub3 h ARG 47 N 0.84 0.67 -0.35 1.57 9.65 -1.19 0.14 114.38 125.72 1ub3 h ARG 47 Ca 0.21 -0.21 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 1ub3 h ARG 47 Cb 0.11 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 1ub3 h ARG 47 CO -0.03 0.76 -0.31 0.00 2.80 0.00 0.00 179.97 183.19 1ub3 h ALA 48 N 1.28 0.79 0.00 2.80 0.00 -0.84 -1.62 119.26 121.67 1ub3 h ALA 48 Ca 0.11 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1ub3 h ALA 48 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ub3 h ALA 48 CO 0.03 0.65 -0.77 -0.09 0.00 0.00 0.00 179.25 179.07 1ub3 h ARG 49 N 0.65 0.00 -2.23 0.00 9.65 -0.88 -3.38 114.38 118.18 1ub3 h ARG 49 Ca 0.07 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 58.37 1ub3 h ARG 49 Cb 0.84 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.03 1ub3 h ARG 49 CO 0.07 0.77 -0.94 0.66 2.80 0.00 0.00 179.97 183.33 1ub3 n TYR 50 N -3.49 0.50 0.29 2.20 4.02 0.48 -4.96 117.16 116.20 1ub3 n TYR 50 Ca -0.00 -3.66 0.14 0.00 -0.01 0.00 0.00 57.90 54.37 1ub3 n TYR 50 Cb 0.78 -0.25 0.85 0.00 -0.02 0.00 0.00 39.34 40.70 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 4.60 0.00 -0.47 -0.72 0.13 -1.49 -3.12 132.00 130.93 1ub3 h PRO 51 Ca 0.15 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.94 1ub3 h PRO 51 Cb 0.84 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.64 1ub3 h PRO 51 CO 0.52 0.05 -0.84 0.72 -0.23 0.00 0.00 178.00 178.23 1ub3 n HIS 52 N -3.72 1.65 -1.75 1.56 8.25 -1.26 -5.08 115.22 114.88 1ub3 n HIS 52 Ca -0.02 -1.91 -0.36 0.00 -0.26 0.00 0.00 57.72 55.16 1ub3 n HIS 52 Cb 0.15 -0.28 0.06 0.00 1.12 0.00 0.00 29.99 31.04 1ub3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ub3 s ALA 53 N -3.27 2.36 -0.31 -1.41 0.00 -1.18 -4.93 121.76 113.02 1ub3 s ALA 53 Ca 0.42 1.02 0.23 0.00 0.00 0.00 0.00 51.96 53.63 1ub3 s ALA 53 Cb 0.38 -3.48 0.46 0.00 0.00 0.00 0.00 23.12 20.48 1ub3 s ALA 53 CO -0.02 -1.52 1.65 -1.00 0.00 0.00 0.00 175.76 174.87 1ub3 h PRO 54 N 0.40 0.00 -6.62 0.00 0.13 -1.96 -3.45 132.00 120.49 1ub3 h PRO 54 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 1ub3 h PRO 54 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1ub3 h PRO 54 CO 0.53 0.07 0.05 -0.59 -0.23 0.00 0.00 178.00 177.83 1ub3 s PHE 55 N -3.26 3.45 0.15 1.56 -0.12 -1.26 -4.97 117.98 113.53 1ub3 s PHE 55 Ca 0.06 1.18 -0.30 0.00 -0.05 0.00 0.00 56.93 57.81 1ub3 s PHE 55 Cb 0.06 -2.49 -0.07 0.00 -0.63 0.00 0.00 43.02 39.89 1ub3 s PHE 55 CO 0.66 0.19 1.00 1.03 -0.05 0.00 0.00 175.22 178.05 1ub3 s ARG 56 N -2.71 4.69 -0.30 1.99 3.00 0.17 -4.87 118.95 120.93 1ub3 s ARG 56 Ca 0.50 1.53 -0.20 0.00 0.00 0.00 0.00 55.73 57.56 1ub3 s ARG 56 Cb -0.12 -3.34 -0.01 0.00 0.00 0.00 0.00 34.95 31.49 1ub3 s ARG 56 CO 0.19 0.22 0.62 -1.17 0.00 0.00 0.00 175.30 175.16 1ub3 s LEU 57 N -0.27 4.13 0.04 2.53 2.96 -1.26 -0.91 118.68 125.90 1ub3 s LEU 57 Ca 0.47 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.93 1ub3 s LEU 57 Cb -0.25 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 1ub3 s LEU 57 CO 0.32 -0.45 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.00 1ub3 s VAL 58 N 2.58 2.67 0.32 1.68 1.01 0.43 0.41 120.40 129.50 1ub3 s VAL 58 Ca 0.25 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1ub3 s VAL 58 Cb -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1ub3 s VAL 58 CO 0.11 0.34 0.36 0.28 0.00 0.00 0.00 175.10 176.20 1ub3 s THR 59 N -0.90 0.00 0.07 3.92 -1.32 -0.94 -1.84 115.64 114.63 1ub3 s THR 59 Ca 0.14 -1.78 0.07 0.00 -1.21 0.00 0.00 61.69 58.91 1ub3 s THR 59 Cb -0.10 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 1ub3 s THR 59 CO 0.05 0.00 -0.16 0.68 -2.21 0.00 0.00 174.62 172.98 1ub3 s VAL 60 N -3.37 2.98 -0.04 5.08 -7.23 -1.26 -0.87 120.40 115.68 1ub3 s VAL 60 Ca 0.35 -1.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 1ub3 s VAL 60 Cb 0.01 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1ub3 s VAL 60 CO 0.21 0.24 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.35 1ub3 s VAL 61 N -1.04 1.65 -1.52 1.32 1.01 -0.46 -4.59 120.40 116.77 1ub3 s VAL 61 Ca 0.17 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1ub3 s VAL 61 Cb -0.11 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1ub3 s VAL 61 CO 0.08 0.47 0.46 0.61 0.00 0.00 0.00 175.10 176.72 1ub3 n GLY 62 N 2.95 -0.51 3.86 4.51 0.00 -1.26 -1.63 105.19 113.11 1ub3 n GLY 62 Ca -0.17 0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.08 3.60 -2.00 1.61 5.36 -1.26 -0.84 117.98 121.36 1ub3 s PHE 63 Ca 0.25 0.56 0.19 0.00 -0.96 0.00 0.00 56.93 56.97 1ub3 s PHE 63 Cb -0.12 -2.00 0.06 0.00 -0.34 0.00 0.00 43.02 40.63 1ub3 s PHE 63 CO 0.31 0.69 1.02 -0.35 -1.46 0.00 0.00 175.22 175.42 1ub3 n PRO 64 N 2.11 1.60 0.08 10.12 -0.04 -1.26 -4.87 135.00 142.75 1ub3 n PRO 64 Ca -0.19 -1.21 0.01 0.00 -0.04 0.00 0.00 63.50 62.07 1ub3 n PRO 64 Cb 0.54 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 2.79 0.00 0.00 1.53 3.38 -1.96 -3.48 115.31 117.58 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 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ub3 h LEU 65 CO 0.00 0.54 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1ub3 n GLY 66 N 1.31 0.74 1.55 0.83 0.00 -0.02 -4.43 105.19 105.16 1ub3 n GLY 66 Ca -0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.03 1.59 -1.61 1.61 -0.00 -1.26 -3.38 117.16 112.08 1ub3 n TYR 67 Ca 0.00 -0.72 -0.31 0.00 -0.00 0.00 0.00 57.90 56.87 1ub3 n TYR 67 Cb 0.01 -0.47 0.05 0.00 -0.00 0.00 0.00 39.34 38.93 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 -2.22 2.91 0.61 -3.48 1.11 -1.26 -4.99 119.66 112.35 1ub3 s GLN 68 Ca 0.38 1.02 -0.19 0.00 0.01 0.00 0.00 55.36 56.58 1ub3 s GLN 68 Cb 0.30 -1.99 -0.03 0.00 -1.01 0.00 0.00 33.01 30.28 1ub3 s GLN 68 CO 0.10 -1.12 1.28 -1.21 0.01 0.00 0.00 175.29 174.35 1ub3 s GLU 69 N -4.87 2.80 0.38 2.91 0.41 -1.26 -4.84 118.70 114.23 1ub3 s GLU 69 Ca 0.59 2.03 0.08 0.00 -0.41 0.00 0.00 54.97 57.26 1ub3 s GLU 69 Cb -0.15 -1.96 0.75 0.00 -1.78 0.00 0.00 34.13 31.00 1ub3 s GLU 69 CO 0.52 -1.39 1.93 1.57 -0.49 0.00 0.00 175.26 177.40 1ub3 h LYS 70 N 0.85 0.36 -0.18 1.61 2.10 -1.96 -1.35 116.57 118.00 1ub3 h LYS 70 Ca -0.51 -0.07 -0.07 0.00 -2.00 0.00 0.00 60.65 58.01 1ub3 h LYS 70 Cb 1.32 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1ub3 h LYS 70 CO 0.55 0.42 -0.19 0.93 -2.00 0.00 0.00 179.45 179.16 1ub3 h GLU 71 N 0.35 0.31 -0.12 0.07 3.07 -1.97 -1.04 114.58 115.25 1ub3 h GLU 71 Ca 0.08 -0.09 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 1ub3 h GLU 71 Cb 0.28 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1ub3 h GLU 71 CO 0.01 0.50 -0.40 0.28 -1.40 0.00 0.00 179.01 178.00 1ub3 h VAL 72 N 0.29 1.37 -0.92 3.13 2.07 -1.67 -2.32 116.25 118.21 1ub3 h VAL 72 Ca 0.05 -1.70 0.01 0.00 0.82 0.00 0.00 66.70 65.88 1ub3 h VAL 72 Cb 0.50 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 1ub3 h VAL 72 CO 0.03 0.51 0.61 0.11 0.02 0.00 0.00 177.57 178.85 1ub3 h LYS 73 N 0.09 1.21 -0.10 1.57 1.57 -0.99 0.10 116.57 120.04 1ub3 h LYS 73 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ub3 h LYS 73 Cb 1.02 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ub3 h LYS 73 CO 0.09 0.80 0.04 0.00 -0.57 0.00 0.00 179.45 179.80 1ub3 h ALA 74 N 1.34 0.12 -0.17 3.86 0.00 -1.17 -1.25 119.26 122.00 1ub3 h ALA 74 Ca 0.34 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1ub3 h ALA 74 Cb -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ub3 h ALA 74 CO -0.07 -0.28 -0.41 -0.07 0.00 0.00 0.00 179.25 178.41 1ub3 h LEU 75 N -0.01 0.40 -0.56 0.00 3.38 -1.19 -1.26 115.31 116.07 1ub3 h LEU 75 Ca 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1ub3 h LEU 75 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ub3 h LEU 75 CO -0.00 0.77 0.25 -0.08 0.09 0.00 0.00 178.44 179.47 1ub3 h GLU 76 N 0.32 0.82 -0.35 1.13 4.81 -0.66 -0.20 114.58 120.45 1ub3 h GLU 76 Ca 0.03 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1ub3 h GLU 76 Cb 0.86 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1ub3 h GLU 76 CO 0.07 0.70 0.10 0.00 -0.73 0.00 0.00 179.01 179.15 1ub3 h ALA 77 N 1.09 0.46 -0.51 2.92 0.00 -1.00 -1.65 119.26 120.57 1ub3 h ALA 77 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 77 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ub3 h ALA 77 CO -0.02 0.10 0.32 0.00 0.00 0.00 0.00 179.25 179.66 1ub3 h ALA 78 N 0.95 0.64 -0.76 0.00 0.00 -0.94 -0.86 119.26 118.30 1ub3 h ALA 78 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ub3 h ALA 78 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ub3 h ALA 78 CO -0.00 0.10 0.30 1.25 0.00 0.00 0.00 179.25 180.90 1ub3 h LEU 79 N 0.68 1.04 -0.32 0.00 5.85 -0.94 0.07 115.31 121.69 1ub3 h LEU 79 Ca 0.18 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ub3 h LEU 79 Cb -0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1ub3 h LEU 79 CO -0.04 0.93 0.15 0.00 -0.34 0.00 0.00 178.44 179.15 1ub3 h ALA 80 N 1.15 0.41 -0.56 1.25 0.00 -0.87 -0.71 119.26 119.93 1ub3 h ALA 80 Ca 0.25 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ub3 h ALA 80 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ub3 h ALA 80 CO -0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 1ub3 h ALA 82 N 0.94 1.48 -0.00 0.00 0.00 -0.79 -1.83 119.26 119.06 1ub3 h ALA 82 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ub3 h ALA 82 Cb 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ub3 h ALA 82 CO 0.04 0.41 -0.05 0.54 0.00 0.00 0.00 179.25 180.20 1ub3 n ARG 83 N -4.38 0.83 0.00 0.00 1.74 -0.29 -4.89 116.66 109.67 1ub3 n ARG 83 Ca 0.04 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 1ub3 n ARG 83 Cb 0.13 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.19 0.82 3.75 -0.13 0.00 -0.69 -3.93 105.19 106.21 1ub3 n GLY 84 Ca 0.18 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 -0.62 3.50 -0.12 4.61 0.00 -0.20 -4.76 121.76 124.16 1ub3 s ALA 85 Ca 0.00 1.12 0.17 0.00 0.00 0.00 0.00 51.96 53.25 1ub3 s ALA 85 Cb 0.00 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.44 1ub3 s ALA 85 CO 0.00 -0.51 0.45 -0.25 0.00 0.00 0.00 175.76 175.45 1ub3 n ASP 86 N 1.82 0.43 -3.95 0.00 10.43 0.17 -4.43 116.55 121.01 1ub3 n ASP 86 Ca 0.03 0.20 -0.10 0.00 2.57 0.00 0.00 54.79 57.49 1ub3 n ASP 86 Cb 0.43 0.64 -0.11 0.00 1.84 0.00 0.00 41.12 43.92 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 -2.74 0.38 -0.05 -1.24 2.02 -0.81 -2.12 118.70 114.15 1ub3 s GLU 87 Ca -0.07 -0.58 0.03 0.00 0.02 0.00 0.00 54.97 54.37 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 -0.12 0.14 0.02 0.00 0.00 175.26 176.06 1ub3 s VAL 88 N -1.55 1.04 -0.39 2.63 -7.23 -0.41 -2.22 120.40 112.27 1ub3 s VAL 88 Ca -0.15 -0.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1ub3 s VAL 88 Cb -0.09 -0.93 0.07 0.00 0.56 0.00 0.00 36.38 35.99 1ub3 s VAL 88 CO -0.01 0.32 0.20 -1.81 -0.31 0.00 0.00 175.10 173.50 1ub3 s ASP 89 N 0.39 5.49 0.01 4.85 1.11 -0.05 -0.74 116.67 127.72 1ub3 s ASP 89 Ca -0.08 -1.46 -0.03 0.00 0.18 0.00 0.00 52.55 51.16 1ub3 s ASP 89 Cb -0.12 -1.93 -0.04 0.00 1.07 0.00 0.00 42.92 41.90 1ub3 s ASP 89 CO 0.02 -0.47 0.21 0.00 1.18 0.00 0.00 175.17 176.10 1ub3 s MET 90 N 1.38 3.46 -0.07 8.23 0.23 0.25 -1.36 119.30 131.43 1ub3 s MET 90 Ca 0.02 -0.30 -0.10 0.00 -1.03 0.00 0.00 55.69 54.28 1ub3 s MET 90 Cb -0.22 -3.07 -0.05 0.00 -1.53 0.00 0.00 34.83 29.96 1ub3 s MET 90 CO 0.01 0.65 0.26 0.08 -2.03 0.00 0.00 175.02 173.99 1ub3 s VAL 91 N -1.37 5.30 0.76 5.16 1.01 -0.65 0.39 120.40 131.00 1ub3 s VAL 91 Ca 0.29 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 1ub3 s VAL 91 Cb -0.13 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1ub3 s VAL 91 CO 0.20 0.60 1.08 -0.76 0.00 0.00 0.00 175.10 176.22 1ub3 s LEU 92 N -1.02 2.81 -0.54 3.92 1.43 -1.04 -4.72 118.68 119.53 1ub3 s LEU 92 Ca 0.19 1.43 -0.28 0.00 -1.03 0.00 0.00 54.13 54.43 1ub3 s LEU 92 Cb -0.14 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 41.96 1ub3 s LEU 92 CO 0.08 -1.76 1.28 -2.28 0.23 0.00 0.00 176.35 173.90 1ub3 s HIS 93 N -3.11 2.51 0.04 0.29 5.65 -1.22 -4.36 115.29 115.08 1ub3 s HIS 93 Ca 0.60 0.51 0.29 0.00 0.25 0.00 0.00 55.06 56.71 1ub3 s HIS 93 Cb -0.14 -4.44 1.07 0.00 -1.18 0.00 0.00 32.58 27.89 1ub3 s HIS 93 CO 0.54 -1.72 1.88 -0.07 -0.65 0.00 0.00 174.74 174.73 1ub3 h LEU 94 N 12.23 0.00 -0.01 8.88 3.38 -1.77 -1.65 115.31 136.36 1ub3 h LEU 94 Ca -0.26 0.00 -0.26 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 1.16 0.08 -0.99 1.23 0.09 0.00 0.00 178.44 180.01 1ub3 h GLY 95 N 2.33 0.76 1.46 0.83 0.00 -1.91 0.38 103.07 106.93 1ub3 h GLY 95 Ca -0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 47.33 45.86 1ub3 h GLY 95 CO 0.01 1.17 -0.43 3.21 0.00 0.00 0.00 176.54 180.50 1ub3 h ARG 96 N 0.35 0.58 -0.23 4.80 2.47 -1.91 -1.90 114.38 118.55 1ub3 h ARG 96 Ca -0.12 -0.31 -0.03 0.00 -1.26 0.00 0.00 59.98 58.26 1ub3 h ARG 96 Cb 1.65 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.98 1ub3 h ARG 96 CO 0.20 0.90 0.04 0.00 0.56 0.00 0.00 179.97 181.67 1ub3 h ALA 97 N 1.05 0.30 -0.71 0.04 0.00 -1.24 0.65 119.26 119.35 1ub3 h ALA 97 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ub3 h ALA 97 Cb 0.95 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1ub3 h ALA 97 CO 0.08 -0.02 0.47 -0.22 0.00 0.00 0.00 179.25 179.56 1ub3 h LYS 98 N 0.18 0.86 0.00 0.00 1.63 -0.80 0.20 116.57 118.64 1ub3 h LYS 98 Ca 0.07 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ub3 h LYS 98 Cb 0.32 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1ub3 h LYS 98 CO 0.00 0.57 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 1ub3 n ALA 99 N -2.43 2.23 -1.38 5.00 0.00 -0.73 -4.89 120.51 118.31 1ub3 n ALA 99 Ca 0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1ub3 n ALA 99 Cb 0.10 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 0.90 0.49 3.16 0.00 0.00 0.06 -4.95 105.19 104.86 1ub3 n GLY 100 Ca 0.10 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 1.52 4.71 0.08 1.61 -0.08 0.16 -4.76 116.55 119.79 1ub3 n ASP 101 Ca -0.03 -2.95 0.03 0.00 -1.51 0.00 0.00 54.79 50.33 1ub3 n ASP 101 Cb 0.23 -1.63 0.40 0.00 2.34 0.00 0.00 41.12 42.46 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 10.30 0.31 -0.75 -2.67 3.38 -1.92 -2.48 115.31 121.47 1ub3 h LEU 102 Ca 0.45 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 1ub3 h LEU 102 Cb 0.75 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ub3 h LEU 102 CO 1.58 0.37 0.08 0.44 0.09 0.00 0.00 178.44 181.00 1ub3 h ASP 103 N 0.33 0.99 -0.42 -0.43 3.32 -1.98 -1.35 116.42 116.88 1ub3 h ASP 103 Ca 0.08 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1ub3 h ASP 103 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1ub3 h ASP 103 CO 0.01 0.99 0.17 0.22 -1.72 0.00 0.00 179.24 178.91 1ub3 h TYR 104 N 0.96 0.64 -0.12 4.55 3.20 -1.86 -1.41 116.97 122.94 1ub3 h TYR 104 Ca 0.19 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ub3 h TYR 104 Cb 0.44 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1ub3 h TYR 104 CO 0.03 0.55 0.07 -0.07 -1.64 0.00 0.00 178.16 177.11 1ub3 h LEU 105 N 0.54 0.14 -0.82 2.82 3.38 -1.23 -0.72 115.31 119.43 1ub3 h LEU 105 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ub3 h LEU 105 Cb 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1ub3 h LEU 105 CO -0.01 0.14 0.51 -0.08 0.09 0.00 0.00 178.44 179.08 1ub3 h GLU 106 N 0.14 1.11 -0.69 1.13 4.81 -1.15 -1.79 114.58 118.14 1ub3 h GLU 106 Ca 0.04 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1ub3 h GLU 106 Cb 0.02 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1ub3 h GLU 106 CO -0.01 0.77 0.21 0.00 -0.73 0.00 0.00 179.01 179.25 1ub3 h ALA 107 N 1.27 0.91 -0.14 2.92 0.00 -0.93 -0.29 119.26 123.00 1ub3 h ALA 107 Ca 0.30 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1ub3 h ALA 107 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ub3 h ALA 107 CO -0.06 0.59 -0.60 1.05 0.00 0.00 0.00 179.25 180.23 1ub3 h GLU 108 N 1.01 0.47 -0.53 0.00 4.11 -0.85 -0.65 114.58 118.14 1ub3 h GLU 108 Ca 0.22 -0.32 -0.10 0.00 0.07 0.00 0.00 59.36 59.23 1ub3 h GLU 108 Cb 0.31 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ub3 h GLU 108 CO -0.01 0.93 -0.07 0.28 0.07 0.00 0.00 179.01 180.22 1ub3 h VAL 109 N 0.35 1.27 -0.79 -1.06 2.07 -1.16 -2.28 116.25 114.65 1ub3 h VAL 109 Ca -0.00 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1ub3 h VAL 109 Cb 1.15 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1ub3 h VAL 109 CO 0.11 0.42 0.33 -0.09 0.02 0.00 0.00 177.57 178.36 1ub3 h ARG 110 N 0.84 1.16 -0.44 1.57 9.65 -0.86 0.13 114.38 126.43 1ub3 h ARG 110 Ca 0.14 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1ub3 h ARG 110 Cb 0.62 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1ub3 h ARG 110 CO 0.04 0.93 0.28 0.00 2.80 0.00 0.00 179.97 184.02 1ub3 h ALA 111 N 1.17 0.56 -0.39 2.80 0.00 -0.89 0.42 119.26 122.94 1ub3 h ALA 111 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ub3 h ALA 111 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ub3 h ALA 111 CO -0.03 0.03 -0.14 0.28 0.00 0.00 0.00 179.25 179.40 1ub3 h VAL 112 N 0.59 1.28 -0.72 0.00 2.07 -1.09 -2.02 116.25 116.36 1ub3 h VAL 112 Ca 0.16 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.54 1ub3 h VAL 112 Cb -0.04 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1ub3 h VAL 112 CO -0.03 0.41 0.34 -0.09 0.02 0.00 0.00 177.57 178.22 1ub3 h ARG 113 N 0.58 0.54 0.00 1.57 9.65 -0.34 -0.99 114.38 125.38 1ub3 h ARG 113 Ca 0.09 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1ub3 h ARG 113 Cb 0.67 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ub3 h ARG 113 CO 0.05 0.36 -0.02 0.93 2.80 0.00 0.00 179.97 184.08 1ub3 h GLU 114 N 0.55 0.00 0.04 0.20 5.08 -0.78 -2.52 114.58 117.15 1ub3 h GLU 114 Ca 0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.50 1ub3 h GLU 114 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1ub3 h GLU 114 CO -0.31 0.02 -1.09 0.00 -1.00 0.00 0.00 179.01 176.64 1ub3 h ALA 115 N 1.98 0.27 -2.11 3.43 0.00 -0.46 -3.37 119.26 118.99 1ub3 h ALA 115 Ca -0.00 -0.91 -0.56 0.00 0.00 0.00 0.00 54.91 53.44 1ub3 h ALA 115 Cb 0.81 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.10 1ub3 h ALA 115 CO 0.00 1.17 -0.90 1.33 0.00 0.00 0.00 179.25 180.85 1ub3 n VAL 116 N -3.40 1.06 0.31 0.00 0.24 -0.65 -4.63 118.33 111.25 1ub3 n VAL 116 Ca -0.03 -4.81 0.18 0.00 -2.04 0.00 0.00 64.34 57.64 1ub3 n VAL 116 Cb 0.97 -1.45 1.04 0.00 -1.47 0.00 0.00 33.84 32.92 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 3.57 0.00 -0.00 7.34 0.13 -1.63 -2.56 132.00 138.85 1ub3 h PRO 117 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ub3 h PRO 117 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1ub3 h PRO 117 CO 0.65 0.00 -0.72 1.04 -0.23 0.00 0.00 178.00 178.73 1ub3 n GLN 118 N -3.56 0.15 -2.68 0.86 6.02 -1.26 -4.96 117.38 111.95 1ub3 n GLN 118 Ca -0.03 -0.11 -0.22 0.00 -0.01 0.00 0.00 57.00 56.63 1ub3 n GLN 118 Cb 0.08 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.92 3.83 -0.19 -1.58 0.00 -0.97 -5.05 121.76 114.87 1ub3 s ALA 119 Ca 0.11 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.63 1ub3 s ALA 119 Cb 0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 1ub3 s ALA 119 CO 0.76 -0.70 0.57 0.08 0.00 0.00 0.00 175.76 176.47 1ub3 s VAL 120 N -2.75 5.07 -0.25 0.00 1.01 -0.90 -4.99 120.40 117.60 1ub3 s VAL 120 Ca 0.56 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 1ub3 s VAL 120 Cb -0.10 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1ub3 s VAL 120 CO 0.39 0.15 0.05 -0.22 0.00 0.00 0.00 175.10 175.47 1ub3 s LEU 121 N 1.71 3.39 -0.08 3.92 2.96 -1.26 -1.28 118.68 128.03 1ub3 s LEU 121 Ca 0.27 -0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 1ub3 s LEU 121 Cb -0.16 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1ub3 s LEU 121 CO 0.10 -0.05 -0.06 -0.54 -1.32 0.00 0.00 176.35 174.49 1ub3 s LYS 122 N 1.59 2.93 -0.22 1.98 1.02 0.08 -0.35 119.74 126.78 1ub3 s LYS 122 Ca 0.06 -0.53 -0.02 0.00 0.02 0.00 0.00 55.97 55.51 1ub3 s LYS 122 Cb -0.15 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.50 1ub3 s LYS 122 CO 0.02 0.60 -0.10 0.08 -0.92 0.00 0.00 175.35 175.04 1ub3 s VAL 123 N -0.62 2.84 -0.21 3.17 1.01 -0.37 -0.58 120.40 125.64 1ub3 s VAL 123 Ca 0.09 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1ub3 s VAL 123 Cb -0.12 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1ub3 s VAL 123 CO 0.02 0.40 0.84 -0.63 0.00 0.00 0.00 175.10 175.73 1ub3 s ILE 124 N 1.38 4.85 -0.36 2.22 1.01 0.16 -0.32 121.20 130.14 1ub3 s ILE 124 Ca 0.04 1.61 0.23 0.00 0.00 0.00 0.00 60.65 62.53 1ub3 s ILE 124 Cb -0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1ub3 s ILE 124 CO -0.07 -0.04 1.04 0.18 0.00 0.00 0.00 174.94 176.05 1ub3 n LEU 125 N 5.72 0.70 -3.56 2.97 4.77 -0.16 -2.48 117.00 124.96 1ub3 n LEU 125 Ca 0.05 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 1ub3 n LEU 125 Cb 0.48 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1ub3 n LEU 125 CO 0.48 -0.10 -0.02 1.21 -1.33 0.00 0.00 177.39 177.63 1ub3 n GLU 126 N -2.40 -1.36 0.14 3.23 4.07 -0.50 -4.83 120.64 118.97 1ub3 n GLU 126 Ca 0.01 0.70 0.19 0.00 -0.06 0.00 0.00 57.16 57.99 1ub3 n GLU 126 Cb 0.51 -4.30 0.74 0.00 -0.06 0.00 0.00 31.44 28.33 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 -1.25 0.28 0.00 6.31 1.35 -1.54 -2.76 112.91 115.30 1ub3 h THR 127 Ca -0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1ub3 h THR 127 Cb 1.30 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1ub3 h THR 127 CO 0.43 0.00 0.05 1.23 -0.25 0.00 0.00 175.52 176.98 1ub3 h GLY 128 N 0.00 0.00 -0.78 5.82 0.00 -1.84 -1.22 103.07 105.05 1ub3 h GLY 128 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ub3 h GLY 128 CO -0.00 0.00 -0.37 -1.72 0.00 0.00 0.00 176.54 174.44 1ub3 n TYR 129 N -2.85 0.00 -4.31 5.60 4.01 -1.04 -4.84 117.16 113.73 1ub3 n TYR 129 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1ub3 n TYR 129 Cb 0.10 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.00 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 1.57 0.62 -0.72 0.08 -0.46 -5.06 117.98 111.58 1ub3 s PHE 130 Ca 0.21 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.59 1ub3 s PHE 130 Cb 0.19 -0.76 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 1ub3 s PHE 130 CO 0.53 0.26 0.94 -1.54 -0.10 0.00 0.00 175.22 175.31 1ub3 s SER 131 N -3.11 5.52 0.29 1.36 1.04 -1.26 -4.84 113.70 112.70 1ub3 s SER 131 Ca 0.19 0.76 -0.00 0.00 0.48 0.00 0.00 55.95 57.38 1ub3 s SER 131 Cb -0.01 -1.71 0.49 0.00 0.10 0.00 0.00 66.02 64.89 1ub3 s SER 131 CO 0.05 -1.14 1.92 -0.65 0.98 0.00 0.00 173.24 174.40 1ub3 h PRO 132 N -0.28 1.05 -0.42 4.02 0.11 -1.99 0.21 132.00 134.70 1ub3 h PRO 132 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ub3 h PRO 132 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1ub3 h PRO 132 CO 0.61 0.69 0.26 0.93 -0.21 0.00 0.00 178.00 180.29 1ub3 h GLU 133 N 1.08 0.56 -0.22 1.05 3.07 -2.00 -1.60 114.58 116.51 1ub3 h GLU 133 Ca 0.38 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1ub3 h GLU 133 Cb 0.13 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1ub3 h GLU 133 CO -0.13 0.39 0.03 0.93 -1.40 0.00 0.00 179.01 178.82 1ub3 h GLU 134 N 0.56 0.37 -0.81 2.33 5.08 -1.75 -3.05 114.58 117.32 1ub3 h GLU 134 Ca 0.15 -0.11 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1ub3 h GLU 134 Cb -0.03 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.10 1ub3 h GLU 134 CO -0.03 0.53 0.43 0.82 -1.00 0.00 0.00 179.01 179.76 1ub3 h ILE 135 N 0.16 0.82 -0.85 3.13 2.04 -0.77 -0.21 117.51 121.83 1ub3 h ILE 135 Ca 0.07 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1ub3 h ILE 135 Cb 0.34 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1ub3 h ILE 135 CO 0.01 0.12 0.56 0.00 0.00 0.00 0.00 178.15 178.84 1ub3 h ALA 136 N 1.49 1.10 -0.17 1.87 0.00 -1.21 0.29 119.26 122.64 1ub3 h ALA 136 Ca 0.41 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1ub3 h ALA 136 Cb 0.49 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ub3 h ALA 136 CO -0.30 0.46 -0.59 0.00 0.00 0.00 0.00 179.25 178.82 1ub3 h ARG 137 N 1.13 0.54 -0.45 0.00 3.08 -1.15 -2.29 114.38 115.24 1ub3 h ARG 137 Ca 0.32 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1ub3 h ARG 137 Cb -0.09 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1ub3 h ARG 137 CO -0.08 0.97 0.04 -0.07 -1.07 0.00 0.00 179.97 179.76 1ub3 h LEU 138 N 0.41 0.75 -0.53 3.04 3.38 -0.61 -1.96 115.31 119.79 1ub3 h LEU 138 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ub3 h LEU 138 Cb 1.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1ub3 h LEU 138 CO 0.11 0.84 0.34 0.00 0.09 0.00 0.00 178.44 179.82 1ub3 h ALA 139 N 0.93 0.67 -0.64 1.53 0.00 -0.89 -0.86 119.26 120.01 1ub3 h ALA 139 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ub3 h ALA 139 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ub3 h ALA 139 CO 0.02 0.14 0.35 1.49 0.00 0.00 0.00 179.25 181.24 1ub3 h GLU 140 N 0.71 0.89 -0.71 0.00 4.57 -1.27 -0.49 114.58 118.28 1ub3 h GLU 140 Ca 0.19 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 1ub3 h GLU 140 Cb -0.05 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.34 1ub3 h GLU 140 CO -0.04 0.68 0.36 0.00 -1.18 0.00 0.00 179.01 178.82 1ub3 h ALA 141 N 1.17 0.91 -0.53 2.92 0.00 -0.97 -0.71 119.26 122.04 1ub3 h ALA 141 Ca 0.22 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 141 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ub3 h ALA 141 CO -0.04 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1ub3 h ALA 142 N 1.17 0.99 -0.36 0.00 0.00 -0.75 -1.63 119.26 118.67 1ub3 h ALA 142 Ca 0.25 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ub3 h ALA 142 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ub3 h ALA 142 CO -0.03 0.62 0.04 0.82 0.00 0.00 0.00 179.25 180.69 1ub3 h ILE 143 N 0.84 1.25 0.00 0.00 2.04 -0.68 -1.91 117.51 119.04 1ub3 h ILE 143 Ca 0.16 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 1ub3 h ILE 143 Cb 0.50 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1ub3 h ILE 143 CO 0.02 0.30 -0.07 0.03 0.00 0.00 0.00 178.15 178.44 1ub3 h ARG 144 N 0.45 0.00 0.00 2.37 3.08 -0.90 -1.50 114.38 117.88 1ub3 h ARG 144 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1ub3 h ARG 144 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1ub3 h ARG 144 CO 0.01 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1ub3 n GLY 145 N -1.28 -1.49 0.00 0.04 0.00 -0.64 -4.91 105.19 96.92 1ub3 n GLY 145 Ca -0.03 -0.05 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 1.09 1.28 3.75 -0.02 0.00 -0.56 -3.23 105.19 107.50 1ub3 n GLY 146 Ca 0.06 0.00 -0.42 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 -0.92 2.49 -0.02 4.61 0.00 -0.77 -4.88 120.51 121.01 1ub3 n ALA 147 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.70 1ub3 n ALA 147 Cb 0.00 -2.45 -0.14 0.00 0.00 0.00 0.00 19.45 16.86 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 1.76 1.03 -4.11 0.00 8.00 0.53 -4.79 116.55 118.96 1ub3 n ASP 148 Ca 0.07 0.38 -0.14 0.00 0.71 0.00 0.00 54.79 55.80 1ub3 n ASP 148 Cb 0.37 -0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.59 0.87 -0.23 1.24 0.40 -0.74 -1.12 117.98 115.81 1ub3 s PHE 149 Ca -0.07 -0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 55.70 1ub3 s PHE 149 Cb 0.08 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 43.12 1ub3 s PHE 149 CO 0.82 -0.04 -0.07 -0.51 0.70 0.00 0.00 175.22 176.12 1ub3 s LEU 150 N -1.82 2.97 -0.14 -0.37 1.43 0.15 -1.23 118.68 119.67 1ub3 s LEU 150 Ca -0.05 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.34 1ub3 s LEU 150 Cb -0.08 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1ub3 s LEU 150 CO 0.01 -0.08 0.03 -0.75 0.23 0.00 0.00 176.35 175.79 1ub3 s LYS 151 N 1.38 3.53 0.07 1.70 2.20 0.56 -0.84 119.74 128.34 1ub3 s LYS 151 Ca 0.03 -0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.07 1ub3 s LYS 151 Cb -0.15 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1ub3 s LYS 151 CO -0.05 0.47 1.49 1.79 -0.36 0.00 0.00 175.35 178.70 1ub3 h THR 152 N 4.57 1.26 -3.73 3.43 1.35 -1.68 -0.41 112.91 117.69 1ub3 h THR 152 Ca -0.43 -0.89 -0.08 0.00 -0.55 0.00 0.00 66.41 64.46 1ub3 h THR 152 Cb 1.19 1.46 -0.11 0.00 -1.73 0.00 0.00 68.15 68.96 1ub3 h THR 152 CO 0.62 0.27 -0.22 -0.44 -0.25 0.00 0.00 175.52 175.51 1ub3 s SER 153 N -5.86 -0.04 0.16 5.36 0.01 -1.26 -1.35 113.70 110.72 1ub3 s SER 153 Ca -0.14 -0.80 0.19 0.00 1.31 0.00 0.00 55.95 56.51 1ub3 s SER 153 Cb 0.06 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.75 1ub3 s SER 153 CO 0.73 -0.97 1.02 0.71 0.41 0.00 0.00 173.24 175.14 1ub3 h THR 154 N 2.42 0.31 0.00 1.44 1.35 -1.88 -3.43 112.91 113.13 1ub3 h THR 154 Ca -0.30 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 1ub3 h THR 154 Cb 1.24 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1ub3 h THR 154 CO 0.44 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 1ub3 n GLY 155 N 1.28 0.79 0.00 5.82 0.00 -1.26 -4.84 105.19 106.98 1ub3 n GLY 155 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.65 1.61 3.01 -1.26 -4.95 117.46 112.22 1ub3 n PHE 156 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1ub3 n PHE 156 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 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 -0.08 0.45 0.37 1.37 0.00 -1.26 -4.98 105.19 101.05 1ub3 n GLY 157 Ca 0.00 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.25 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 0.80 -3.42 1.61 0.11 -1.96 -3.45 132.00 125.69 1ub3 h PRO 158 Ca 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1ub3 h PRO 158 Cb 0.00 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 30.88 1ub3 h PRO 158 CO 0.00 0.53 0.07 -0.98 -0.21 0.00 0.00 178.00 177.41 1ub3 s ARG 159 N -5.83 1.95 0.00 1.05 1.70 -1.26 -5.07 118.95 111.49 1ub3 s ARG 159 Ca -0.11 -1.42 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 1ub3 s ARG 159 Cb 0.23 0.55 0.00 0.00 -0.57 0.00 0.00 34.95 35.16 1ub3 s ARG 159 CO 0.80 -0.87 0.00 0.41 -1.08 0.00 0.00 175.30 174.56 1ub3 n GLY 160 N -0.50 1.87 3.77 3.88 0.00 -1.26 -4.70 105.19 108.25 1ub3 n GLY 160 Ca -0.04 -2.04 -0.39 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.03 3.19 0.19 4.61 0.00 -0.62 -4.86 121.76 122.24 1ub3 s ALA 161 Ca 0.00 1.09 0.11 0.00 0.00 0.00 0.00 51.96 53.16 1ub3 s ALA 161 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1ub3 s ALA 161 CO 0.00 -0.68 -0.22 -1.54 0.00 0.00 0.00 175.76 173.32 1ub3 s SER 162 N -0.95 3.21 0.33 0.00 1.04 -1.26 -4.99 113.70 111.08 1ub3 s SER 162 Ca 0.57 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 56.15 1ub3 s SER 162 Cb -0.34 -0.23 0.58 0.00 0.10 0.00 0.00 66.02 66.13 1ub3 s SER 162 CO 0.43 0.06 1.90 -0.07 0.98 0.00 0.00 173.24 176.54 1ub3 h LEU 163 N 3.14 0.59 -0.86 2.42 3.38 -1.96 -1.91 115.31 120.11 1ub3 h LEU 163 Ca -0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1ub3 h LEU 163 Cb 1.21 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1ub3 h LEU 163 CO 0.50 0.59 0.44 -0.33 0.09 0.00 0.00 178.44 179.73 1ub3 h GLU 164 N 0.63 1.22 0.12 1.13 3.07 -1.99 -1.33 114.58 117.42 1ub3 h GLU 164 Ca 0.14 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1ub3 h GLU 164 Cb 0.23 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1ub3 h GLU 164 CO -0.00 0.91 -0.19 -0.44 -1.40 0.00 0.00 179.01 177.89 1ub3 h ASP 165 N 1.21 -0.52 -0.28 1.42 3.32 -1.76 -1.11 116.42 118.70 1ub3 h ASP 165 Ca 0.30 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.42 1ub3 h ASP 165 Cb 0.07 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1ub3 h ASP 165 CO -0.04 -0.27 0.15 0.58 -1.72 0.00 0.00 179.24 177.94 1ub3 h VAL 166 N -0.37 1.01 -0.62 -1.35 2.07 -1.20 -0.19 116.25 115.61 1ub3 h VAL 166 Ca 0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ub3 h VAL 166 Cb 0.38 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1ub3 h VAL 166 CO -0.09 0.06 0.40 0.00 0.02 0.00 0.00 177.57 177.95 1ub3 h ALA 167 N 1.13 0.79 0.11 1.67 0.00 -1.14 -0.40 119.26 121.42 1ub3 h ALA 167 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ub3 h ALA 167 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ub3 h ALA 167 CO -0.06 0.23 -0.05 1.25 0.00 0.00 0.00 179.25 180.61 1ub3 h LEU 168 N 0.84 -0.12 -1.03 0.00 5.85 -0.92 -1.25 115.31 118.68 1ub3 h LEU 168 Ca 0.23 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1ub3 h LEU 168 Cb -0.08 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1ub3 h LEU 168 CO -0.05 0.02 0.57 -0.07 -0.34 0.00 0.00 178.44 178.57 1ub3 h LEU 169 N -0.26 1.08 -0.51 2.25 3.38 -0.83 0.15 115.31 120.58 1ub3 h LEU 169 Ca -0.01 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1ub3 h LEU 169 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ub3 h LEU 169 CO 0.02 0.82 0.05 0.58 0.09 0.00 0.00 178.44 180.00 1ub3 h VAL 170 N 1.25 1.26 -0.49 1.22 2.07 -0.94 0.28 116.25 120.90 1ub3 h VAL 170 Ca 0.33 -1.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1ub3 h VAL 170 Cb -0.08 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ub3 h VAL 170 CO -0.06 0.36 0.08 -0.09 0.02 0.00 0.00 177.57 177.87 1ub3 h ARG 171 N 0.74 0.81 -0.48 1.57 2.43 -0.70 -2.80 114.38 115.95 1ub3 h ARG 171 Ca 0.15 -0.22 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 1ub3 h ARG 171 Cb 0.45 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1ub3 h ARG 171 CO 0.02 0.82 -0.20 0.28 -1.51 0.00 0.00 179.97 179.37 1ub3 h VAL 172 N 0.69 1.27 -0.73 0.20 2.07 -0.84 -3.22 116.25 115.69 1ub3 h VAL 172 Ca 0.15 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1ub3 h VAL 172 Cb 0.40 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ub3 h VAL 172 CO 0.01 0.47 0.39 0.00 0.02 0.00 0.00 177.57 178.46 1ub3 h ALA 173 N 0.86 1.31 -6.67 1.67 0.00 -0.85 -3.47 119.26 112.11 1ub3 h ALA 173 Ca 0.11 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 1ub3 h ALA 173 Cb 0.78 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ub3 h ALA 173 CO 0.06 0.56 -0.98 1.04 0.00 0.00 0.00 179.25 179.94 1ub3 n GLN 174 N -4.35 -0.88 -2.51 0.00 1.13 -1.07 -1.30 117.38 108.40 1ub3 n GLN 174 Ca 0.07 0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 55.30 1ub3 n GLN 174 Cb 0.11 -3.31 -0.00 0.00 0.11 0.00 0.00 30.24 27.14 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 -1.99 -0.50 0.13 1.08 0.00 -1.26 -4.85 105.19 97.80 1ub3 n GLY 175 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1ub3 n GLY 175 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub3 h ARG 176 N -0.03 0.00 -2.73 1.61 3.08 -1.57 -3.45 114.38 111.29 1ub3 h ARG 176 Ca -0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1ub3 h ARG 176 Cb 1.11 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.00 1ub3 h ARG 176 CO 0.18 0.00 0.11 0.00 -1.07 0.00 0.00 179.97 179.19 1ub3 s ALA 177 N -3.21 -1.47 0.54 0.04 0.00 -1.26 -4.93 121.76 111.46 1ub3 s ALA 177 Ca 0.06 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 1ub3 s ALA 177 Cb 0.10 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1ub3 s ALA 177 CO 0.69 -0.57 0.80 -0.65 0.00 0.00 0.00 175.76 176.04 1ub3 s GLN 178 N -2.67 2.87 -0.08 0.00 -0.21 -0.28 -4.84 119.66 114.45 1ub3 s GLN 178 Ca -0.04 -0.34 0.05 0.00 0.02 0.00 0.00 55.36 55.05 1ub3 s GLN 178 Cb -0.00 -2.41 -0.01 0.00 1.00 0.00 0.00 33.01 31.58 1ub3 s GLN 178 CO -0.03 -0.57 -0.23 0.08 -2.12 0.00 0.00 175.29 172.42 1ub3 s VAL 179 N -2.80 2.22 -0.21 1.09 1.01 -1.26 -0.68 120.40 119.78 1ub3 s VAL 179 Ca 0.53 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1ub3 s VAL 179 Cb -0.10 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ub3 s VAL 179 CO 0.41 0.56 -0.10 -0.75 0.00 0.00 0.00 175.10 175.23 1ub3 s LYS 180 N 0.03 3.24 -0.14 2.72 2.20 -0.02 -1.28 119.74 126.49 1ub3 s LYS 180 Ca -0.09 -0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 54.63 1ub3 s LYS 180 Cb -0.15 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1ub3 s LYS 180 CO 0.06 -0.20 0.55 0.00 -0.36 0.00 0.00 175.35 175.40 1ub3 s ALA 181 N 1.41 3.47 0.03 3.13 0.00 -0.50 -1.95 121.76 127.35 1ub3 s ALA 181 Ca 0.06 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.77 1ub3 s ALA 181 Cb -0.14 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.19 1ub3 s ALA 181 CO -0.07 -0.19 0.14 0.00 0.00 0.00 0.00 175.76 175.65 1ub3 s ALA 182 N 1.05 -0.24 0.00 0.00 0.00 -1.26 0.03 121.76 121.33 1ub3 s ALA 182 Ca 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ub3 s ALA 182 Cb -0.16 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1ub3 s ALA 182 CO 0.12 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ub3 n GLY 183 N 0.95 -0.47 2.40 0.00 0.00 -1.18 -1.59 105.19 105.31 1ub3 n GLY 183 Ca -0.20 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 1.92 0.34 3.51 -0.02 0.00 -1.26 -2.13 105.19 107.55 1ub3 n GLY 184 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.71 4.03 -0.31 -0.61 1.01 -1.26 -4.80 121.20 117.55 1ub3 s ILE 185 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.86 1ub3 s ILE 185 Cb 0.00 -4.79 -0.14 0.00 0.01 0.00 0.00 42.46 37.54 1ub3 s ILE 185 CO 0.00 -1.62 0.37 0.54 0.00 0.00 0.00 174.94 174.23 1ub3 n ARG 186 N 8.52 2.16 -4.18 2.79 5.12 -1.26 -4.49 116.66 125.32 1ub3 n ARG 186 Ca 0.00 -0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.77 1ub3 n ARG 186 Cb 0.47 -1.11 -0.10 0.00 -1.16 0.00 0.00 32.46 30.56 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 -2.54 1.22 0.23 0.55 1.47 -1.26 -4.74 116.67 111.60 1ub3 s ASP 187 Ca 0.01 -1.01 -0.08 0.00 1.18 0.00 0.00 52.55 52.65 1ub3 s ASP 187 Cb 0.08 0.08 0.22 0.00 -0.34 0.00 0.00 42.92 42.96 1ub3 s ASP 187 CO 0.45 -0.45 1.91 -0.09 0.68 0.00 0.00 175.17 177.67 1ub3 h ARG 188 N 2.94 1.17 -0.25 2.11 2.43 -1.84 -2.00 114.38 118.94 1ub3 h ARG 188 Ca -0.35 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1ub3 h ARG 188 Cb 1.17 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1ub3 h ARG 188 CO 0.65 0.78 0.08 1.49 -1.51 0.00 0.00 179.97 181.45 1ub3 h GLU 189 N 1.21 0.18 -0.37 0.20 4.81 -1.96 0.41 114.58 119.06 1ub3 h GLU 189 Ca 0.33 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1ub3 h GLU 189 Cb -0.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1ub3 h GLU 189 CO -0.07 0.12 0.20 1.15 -0.73 0.00 0.00 179.01 179.68 1ub3 h THR 190 N 0.19 1.15 -0.29 0.32 2.02 -1.93 -0.86 112.91 113.50 1ub3 h THR 190 Ca 0.11 -0.38 0.05 0.00 0.77 0.00 0.00 66.41 66.96 1ub3 h THR 190 Cb 0.09 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1ub3 h THR 190 CO -0.12 0.15 0.01 0.00 0.37 0.00 0.00 175.52 175.93 1ub3 h ALA 191 N 1.06 0.26 -0.77 6.16 0.00 -0.92 -0.29 119.26 124.77 1ub3 h ALA 191 Ca 0.13 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ub3 h ALA 191 Cb 0.06 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ub3 h ALA 191 CO -0.02 -0.40 0.36 -0.07 0.00 0.00 0.00 179.25 179.11 1ub3 h LEU 192 N 0.09 1.00 -0.92 0.00 3.38 -0.64 -2.08 115.31 116.14 1ub3 h LEU 192 Ca 0.14 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1ub3 h LEU 192 Cb 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1ub3 h LEU 192 CO -0.23 0.85 -0.10 0.03 0.09 0.00 0.00 178.44 179.08 1ub3 h ARG 193 N 1.09 0.68 -0.68 1.13 3.08 -0.54 0.82 114.38 119.95 1ub3 h ARG 193 Ca 0.26 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 1ub3 h ARG 193 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1ub3 h ARG 193 CO -0.03 0.77 0.23 0.52 -1.07 0.00 0.00 179.97 180.39 1ub3 h MET 194 N 0.62 1.05 -0.35 0.04 2.86 -0.52 -0.75 114.93 117.88 1ub3 h MET 194 Ca 0.11 -0.21 -0.12 0.00 -2.06 0.00 0.00 59.70 57.42 1ub3 h MET 194 Cb 0.54 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1ub3 h MET 194 CO 0.03 0.90 -0.25 -0.07 1.06 0.00 0.00 176.91 178.58 1ub3 h LEU 195 N 0.99 0.83 -1.04 1.22 3.38 -1.08 -2.50 115.31 117.11 1ub3 h LEU 195 Ca 0.22 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.82 1ub3 h LEU 195 Cb 0.27 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1ub3 h LEU 195 CO -0.01 1.09 0.64 0.50 0.09 0.00 0.00 178.44 180.74 1ub3 h LYS 196 N 0.58 1.12 0.00 1.13 3.64 -0.53 -1.67 116.57 120.84 1ub3 h LYS 196 Ca 0.07 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ub3 h LYS 196 Cb 0.81 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1ub3 h LYS 196 CO 0.07 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.99 1ub3 n ALA 197 N -2.37 1.36 0.00 5.00 0.00 -0.31 -4.85 120.51 119.33 1ub3 n ALA 197 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ub3 n ALA 197 Cb 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.70 1.10 3.77 0.00 0.00 -0.63 -4.12 105.19 104.61 1ub3 n GLY 198 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.74 3.32 -0.48 4.61 0.00 -0.97 -4.62 121.76 121.88 1ub3 s ALA 199 Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.01 1ub3 s ALA 199 Cb 0.00 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.62 1ub3 s ALA 199 CO 0.00 -0.29 0.49 -1.13 0.00 0.00 0.00 175.76 174.83 1ub3 n SER 200 N 0.75 0.90 -3.94 0.00 3.41 -0.41 -4.40 113.62 109.93 1ub3 n SER 200 Ca 0.01 -0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 57.89 1ub3 n SER 200 Cb 0.45 1.13 -0.12 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.38 0.22 -0.10 4.33 6.06 -1.17 -4.78 118.95 121.14 1ub3 s ARG 201 Ca 0.03 -0.41 0.03 0.00 -2.50 0.00 0.00 55.73 52.88 1ub3 s ARG 201 Cb 0.09 0.08 0.01 0.00 0.06 0.00 0.00 34.95 35.20 1ub3 s ARG 201 CO 0.54 -0.04 -0.18 -0.51 -2.50 0.00 0.00 175.30 172.61 1ub3 s LEU 202 N -1.00 1.87 -0.31 -0.88 1.43 0.10 -1.41 118.68 118.48 1ub3 s LEU 202 Ca -0.11 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.40 1ub3 s LEU 202 Cb -0.07 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 1ub3 s LEU 202 CO -0.01 0.07 0.27 -0.83 0.23 0.00 0.00 176.35 176.08 1ub3 s GLY 203 N 0.70 1.93 -0.14 -3.19 0.00 0.10 -0.56 107.32 106.17 1ub3 s GLY 203 Ca -0.12 -1.18 -0.23 0.00 0.00 0.00 0.00 44.72 43.18 1ub3 s GLY 203 CO 0.03 0.81 0.59 -1.08 0.00 0.00 0.00 173.10 173.45 1ub3 s THR 204 N 1.84 0.01 -1.06 0.90 -1.32 -1.15 -3.09 115.64 111.77 1ub3 s THR 204 Ca 0.09 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 60.76 1ub3 s THR 204 Cb -0.17 -0.86 0.05 0.00 -1.51 0.00 0.00 72.50 70.02 1ub3 s THR 204 CO 0.11 -0.04 1.48 -1.20 -2.21 0.00 0.00 174.62 172.77 1ub3 n SER 205 N 1.95 0.48 -2.20 8.08 7.64 -1.26 -0.85 113.62 127.46 1ub3 n SER 205 Ca -0.17 -0.22 -0.25 0.00 1.01 0.00 0.00 58.87 59.24 1ub3 n SER 205 Cb 0.56 0.16 0.16 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.44 4.35 -0.27 6.43 7.64 -1.26 -4.73 113.62 124.35 1ub3 n SER 206 Ca 0.06 -3.65 0.07 0.00 1.01 0.00 0.00 58.87 56.37 1ub3 n SER 206 Cb 0.34 -0.85 0.22 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.17 1.24 0.75 0.23 0.00 -1.90 -2.36 103.07 102.19 1ub3 h GLY 207 Ca 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.80 1ub3 h GLY 207 CO 1.16 -0.14 -0.07 -2.08 0.00 0.00 0.00 176.54 175.40 1ub3 h VAL 208 N 0.43 0.97 -1.00 4.60 2.07 -1.94 -2.83 116.25 118.54 1ub3 h VAL 208 Ca 0.45 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1ub3 h VAL 208 Cb 0.74 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1ub3 h VAL 208 CO -0.44 0.12 0.66 0.00 0.02 0.00 0.00 177.57 177.92 1ub3 h ALA 209 N 0.36 1.33 -0.33 1.67 0.00 -1.86 -1.52 119.26 118.91 1ub3 h ALA 209 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1ub3 h ALA 209 Cb 0.35 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ub3 h ALA 209 CO 0.03 0.59 0.22 -0.07 0.00 0.00 0.00 179.25 180.02 1ub3 h LEU 210 N 1.29 0.22 -1.21 0.00 4.07 -1.27 -3.42 115.31 115.00 1ub3 h LEU 210 Ca 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1ub3 h LEU 210 Cb -0.05 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1ub3 h LEU 210 CO -0.11 0.15 0.00 1.33 -1.08 0.00 0.00 178.44 178.73