#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 0.86 0.17 0.00 -2.45 -1.26 -5.10 119.30 111.52 1bsh s MET 2 Ca 0.00 0.69 -0.32 0.00 -1.25 0.00 0.00 55.69 54.81 1bsh s MET 2 Cb 0.00 0.41 -0.16 0.00 1.25 0.00 0.00 34.83 36.33 1bsh s MET 2 CO 0.00 -0.16 0.98 0.25 1.05 0.00 0.00 175.02 177.14 1bsh n THR 3 N 2.14 1.17 -4.45 10.11 -2.24 -1.26 -4.51 114.28 115.25 1bsh n THR 3 Ca -0.16 -0.29 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1bsh n THR 3 Cb 0.56 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.16 1bsh n THR 3 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1bsh s TYR 4 N -0.47 1.76 0.06 4.78 1.13 0.43 -4.96 117.35 120.08 1bsh s TYR 4 Ca 0.72 -1.39 0.02 0.00 -1.41 0.00 0.00 57.07 55.00 1bsh s TYR 4 Cb -0.91 -1.03 -0.04 0.00 -1.10 0.00 0.00 41.96 38.88 1bsh s TYR 4 CO 0.55 -0.46 0.11 -1.58 -2.51 0.00 0.00 175.55 171.66 1bsh s HIS 5 N -3.29 3.30 0.05 -3.49 5.65 -1.25 -0.61 115.29 115.65 1bsh s HIS 5 Ca 0.28 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.74 1bsh s HIS 5 Cb 0.02 -1.68 -0.03 0.00 -1.18 0.00 0.00 32.58 29.71 1bsh s HIS 5 CO 0.18 0.55 -0.04 -0.48 -0.65 0.00 0.00 174.74 174.29 1bsh s LEU 6 N -2.29 2.41 -0.34 8.88 0.05 -1.13 -2.06 118.68 124.21 1bsh s LEU 6 Ca 0.29 -0.84 0.01 0.00 0.05 0.00 0.00 54.13 53.64 1bsh s LEU 6 Cb -0.12 0.07 0.14 0.00 -2.05 0.00 0.00 46.19 44.23 1bsh s LEU 6 CO 0.22 -0.46 0.30 -1.81 -0.55 0.00 0.00 176.35 174.05 1bsh s ASP 7 N -2.48 1.84 -0.56 1.48 1.11 -0.71 -2.92 116.67 114.42 1bsh s ASP 7 Ca 0.01 -1.41 -0.08 0.00 0.18 0.00 0.00 52.55 51.25 1bsh s ASP 7 Cb 0.01 0.30 0.14 0.00 1.07 0.00 0.00 42.92 44.45 1bsh s ASP 7 CO -0.06 -0.32 0.42 0.54 1.18 0.00 0.00 175.17 176.93 1bsh s VAL 8 N 1.71 4.23 0.31 -1.27 0.11 -0.58 -1.26 120.40 123.65 1bsh s VAL 8 Ca 0.14 -2.18 0.10 0.00 -2.93 0.00 0.00 61.98 57.11 1bsh s VAL 8 Cb -0.16 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 1bsh s VAL 8 CO -0.15 -0.83 -0.10 0.68 -3.33 0.00 0.00 175.10 171.37 1bsh s VAL 9 N 0.84 2.58 0.00 2.04 -7.23 -0.85 -2.64 120.40 115.14 1bsh s VAL 9 Ca 0.10 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1bsh s VAL 9 Cb -0.22 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.16 1bsh s VAL 9 CO -0.03 -0.31 0.00 -0.24 -0.31 0.00 0.00 175.10 174.22 1bsh n SER 10 N -0.77 0.22 0.00 4.85 2.88 -1.25 -1.84 113.62 117.71 1bsh n SER 10 Ca -0.05 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.36 1bsh n SER 10 Cb 0.61 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh h ALA 11 N -0.74 -0.02 -1.84 -1.46 0.00 -1.43 -3.40 119.26 110.37 1bsh h ALA 11 Ca 0.00 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 1bsh h ALA 11 Cb 0.00 0.01 -0.37 0.00 0.00 0.00 0.00 17.79 17.43 1bsh h ALA 11 CO 0.00 -0.30 -1.08 0.39 0.00 0.00 0.00 179.25 178.26 1bsh n GLU 12 N -4.90 0.78 0.00 0.00 1.02 -1.26 -4.95 120.64 111.33 1bsh n GLU 12 Ca -0.08 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.92 1bsh n GLU 12 Cb 0.22 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bsh n GLN 13 N 1.16 0.00 -1.00 3.49 1.13 -1.26 -5.10 117.38 115.79 1bsh n GLN 13 Ca 0.21 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.91 1bsh n GLN 13 Cb 0.57 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.98 1bsh n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bsh n GLN 14 N 0.00 -0.04 0.00 -1.09 10.64 -1.26 -3.78 117.38 121.85 1bsh n GLN 14 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1bsh n GLN 14 Cb 0.00 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1bsh n MET 15 N 1.18 0.00 -3.80 2.61 2.81 -1.10 -4.82 117.12 114.00 1bsh n MET 15 Ca 0.02 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.56 1bsh n MET 15 Cb 0.54 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.94 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N -0.63 3.44 -0.40 2.03 2.19 -1.08 -5.00 117.98 118.53 1bsh s PHE 16 Ca 0.00 -2.76 0.03 0.00 0.33 0.00 0.00 56.93 54.53 1bsh s PHE 16 Cb 0.00 -3.11 0.11 0.00 -1.31 0.00 0.00 43.02 38.71 1bsh s PHE 16 CO 0.00 -0.86 0.14 -1.54 1.83 0.00 0.00 175.22 174.79 1bsh s SER 17 N 0.79 4.31 0.00 6.13 1.04 -1.26 -1.52 113.70 123.19 1bsh s SER 17 Ca 0.14 -2.36 0.00 0.00 0.48 0.00 0.00 55.95 54.22 1bsh s SER 17 Cb -0.22 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.52 1bsh s SER 17 CO -0.03 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1bsh n GLY 18 N 3.95 -0.53 3.73 7.32 0.00 -1.15 -5.04 105.19 113.47 1bsh n GLY 18 Ca 0.04 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1bsh n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsh s LEU 19 N 0.00 2.84 0.06 0.99 1.43 -1.24 -2.86 118.68 119.91 1bsh s LEU 19 Ca 0.00 1.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.73 1bsh s LEU 19 Cb 0.00 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 41.86 1bsh s LEU 19 CO 0.00 -2.47 0.78 0.54 0.23 0.00 0.00 176.35 175.42 1bsh s VAL 20 N -2.82 0.00 0.00 -1.59 0.11 0.22 -3.21 120.40 113.12 1bsh s VAL 20 Ca 0.63 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 1bsh s VAL 20 Cb -0.19 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1bsh s VAL 20 CO 0.57 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.55 1bsh n GLU 21 N -0.30 0.96 -3.25 1.54 0.00 -0.72 -0.43 120.64 118.44 1bsh n GLU 21 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.00 1bsh n GLU 21 Cb 0.63 -0.73 -0.04 0.00 0.00 0.00 0.00 31.44 31.30 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1bsh s LYS 22 N -1.47 0.53 0.20 5.31 2.20 -1.16 -4.73 119.74 120.63 1bsh s LYS 22 Ca 0.00 0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 1bsh s LYS 22 Cb 0.00 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 1bsh s LYS 22 CO 0.00 -1.08 0.34 -1.50 -0.36 0.00 0.00 175.35 172.75 1bsh s ILE 23 N 2.44 5.28 -0.17 5.43 2.07 -1.12 -0.30 121.20 134.83 1bsh s ILE 23 Ca 0.11 -0.74 -0.12 0.00 -1.41 0.00 0.00 60.65 58.49 1bsh s ILE 23 Cb -0.11 -3.79 0.05 0.00 0.13 0.00 0.00 42.46 38.74 1bsh s ILE 23 CO -0.24 -0.21 0.43 -1.58 -1.91 0.00 0.00 174.94 171.43 1bsh s GLN 24 N -3.57 0.45 -0.04 3.50 0.74 0.27 -2.37 119.66 118.64 1bsh s GLN 24 Ca 0.35 0.72 0.01 0.00 0.05 0.00 0.00 55.36 56.48 1bsh s GLN 24 Cb -0.10 0.10 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 1bsh s GLN 24 CO 0.29 -0.11 -0.03 0.08 -0.55 0.00 0.00 175.29 174.97 1bsh s VAL 25 N 0.88 4.00 -0.18 1.34 1.01 -1.24 -0.41 120.40 125.80 1bsh s VAL 25 Ca -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1bsh s VAL 25 Cb -0.06 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1bsh s VAL 25 CO -0.07 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 174.61 1bsh s THR 26 N -0.95 0.97 0.00 3.92 2.01 -0.63 -3.19 115.64 117.78 1bsh s THR 26 Ca 0.16 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1bsh s THR 26 Cb -0.11 -1.26 0.00 0.00 0.01 0.00 0.00 72.50 71.14 1bsh s THR 26 CO 0.05 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1bsh n GLY 27 N 4.90 2.49 0.45 4.40 0.00 -1.01 -2.54 105.19 113.89 1bsh n GLY 27 Ca -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1bsh n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bsh n SER 28 N 0.00 1.17 -0.00 1.61 7.64 -1.26 -4.83 113.62 117.94 1bsh n SER 28 Ca 0.00 0.18 0.07 0.00 1.01 0.00 0.00 58.87 60.13 1bsh n SER 28 Cb 0.00 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.60 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1bsh n GLU 29 N -3.64 0.91 -2.96 1.43 1.02 -1.26 -4.91 120.64 111.22 1bsh n GLU 29 Ca -0.06 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.57 1bsh n GLU 29 Cb 0.23 -1.28 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 1bsh n GLU 29 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bsh s GLY 30 N -3.27 1.76 -0.19 0.62 0.00 -1.26 -4.91 107.32 100.07 1bsh s GLY 30 Ca -0.03 -0.28 0.16 0.00 0.00 0.00 0.00 44.72 44.58 1bsh s GLY 30 CO 0.56 1.70 1.18 1.18 0.00 0.00 0.00 173.10 177.71 1bsh n GLU 31 N 5.97 1.73 -3.96 2.90 1.02 -1.26 -2.40 120.64 124.64 1bsh n GLU 31 Ca 0.04 -3.24 -0.14 0.00 -0.02 0.00 0.00 57.16 53.80 1bsh n GLU 31 Cb 0.48 -1.38 -0.14 0.00 -0.02 0.00 0.00 31.44 30.38 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bsh s LEU 32 N -2.64 1.94 0.00 -4.62 1.43 -1.19 -4.76 118.68 108.83 1bsh s LEU 32 Ca 0.38 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1bsh s LEU 32 Cb 0.37 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.50 1bsh s LEU 32 CO -0.06 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.14 1bsh n GLY 33 N 3.11 0.05 3.39 -3.19 0.00 -1.24 -3.65 105.19 103.66 1bsh n GLY 33 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 1.09 0.03 0.23 -0.61 -1.09 -1.00 -4.83 121.20 115.03 1bsh s ILE 34 Ca 0.00 -0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.11 1bsh s ILE 34 Cb 0.00 -0.91 0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1bsh s ILE 34 CO 0.00 -0.14 0.39 -1.22 -1.23 0.00 0.00 174.94 172.75 1bsh n TYR 35 N 0.70 -1.46 -0.75 3.97 4.02 -1.26 -2.79 117.16 119.59 1bsh n TYR 35 Ca -0.19 -1.29 -0.07 0.00 -0.01 0.00 0.00 57.90 56.33 1bsh n TYR 35 Cb 0.59 0.46 -0.05 0.00 -0.02 0.00 0.00 39.34 40.31 1bsh n TYR 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1bsh n PRO 36 N -0.34 1.48 0.00 -0.72 -0.04 -1.26 -3.52 135.00 130.59 1bsh n PRO 36 Ca -0.03 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1bsh n PRO 36 Cb 0.36 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 1.64 0.00 0.17 0.55 0.00 -1.26 -4.21 105.19 102.07 1bsh n GLY 37 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1bsh n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 38 N 0.00 0.12 -0.31 1.61 -0.00 -1.23 -5.00 115.22 110.41 1bsh n HIS 38 Ca 0.00 -0.06 0.04 0.00 0.46 0.00 0.00 57.72 58.16 1bsh n HIS 38 Cb 0.00 -0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh n ALA 39 N -0.23 -0.79 -2.22 1.57 0.00 -1.26 -4.45 120.51 113.13 1bsh n ALA 39 Ca 0.03 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.19 1bsh n ALA 39 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -2.47 2.82 -3.22 0.00 -0.04 -1.26 -4.87 135.00 125.96 1bsh n PRO 40 Ca -0.00 -2.93 -0.38 0.00 -0.04 0.00 0.00 63.50 60.14 1bsh n PRO 40 Cb 0.14 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.10 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.41 4.29 -0.43 1.53 2.01 -1.26 -4.99 118.68 124.24 1bsh s LEU 41 Ca 0.54 0.95 0.07 0.00 0.01 0.00 0.00 54.13 55.70 1bsh s LEU 41 Cb 0.06 -2.83 0.25 0.00 0.01 0.00 0.00 46.19 43.68 1bsh s LEU 41 CO 0.05 -0.04 0.69 -0.11 1.01 0.00 0.00 176.35 177.95 1bsh n LEU 42 N 3.70 -1.16 0.00 1.79 7.94 -1.26 -2.38 117.00 125.63 1bsh n LEU 42 Ca -0.05 -4.10 0.00 0.00 -1.11 0.00 0.00 56.01 50.75 1bsh n LEU 42 Cb 0.51 0.73 0.00 0.00 0.53 0.00 0.00 43.42 45.20 1bsh n LEU 42 CO 0.44 2.05 0.00 1.07 -1.11 0.00 0.00 177.39 179.84 1bsh n THR 43 N 1.47 0.00 -3.83 1.96 5.66 -1.16 -4.96 114.28 113.41 1bsh n THR 43 Ca 0.16 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.07 1bsh n THR 43 Cb 0.58 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 44 N -1.99 -0.93 0.37 1.79 0.00 -1.26 -2.90 121.76 116.84 1bsh s ALA 44 Ca 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 51.96 51.66 1bsh s ALA 44 Cb 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 1bsh s ALA 44 CO 0.00 -0.92 0.23 0.42 0.00 0.00 0.00 175.76 175.49 1bsh s ILE 45 N -3.92 2.87 0.23 0.00 1.01 -1.06 -4.72 121.20 115.61 1bsh s ILE 45 Ca 0.13 -1.56 0.05 0.00 0.00 0.00 0.00 60.65 59.27 1bsh s ILE 45 Cb -0.03 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1bsh s ILE 45 CO 0.04 -0.10 0.35 -0.54 0.00 0.00 0.00 174.94 174.68 1bsh s LYS 46 N -3.95 3.43 0.71 2.79 -0.14 -1.26 -4.26 119.74 117.07 1bsh s LYS 46 Ca 0.41 -0.75 -0.11 0.00 -1.36 0.00 0.00 55.97 54.16 1bsh s LYS 46 Cb -0.02 -2.89 0.02 0.00 -1.68 0.00 0.00 37.83 33.26 1bsh s LYS 46 CO 0.24 0.44 1.09 -1.25 -0.76 0.00 0.00 175.35 175.11 1bsh s PRO 47 N -3.90 2.82 0.00 -1.68 0.04 0.38 -4.29 135.00 128.37 1bsh s PRO 47 Ca 0.34 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1bsh s PRO 47 Cb -0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1bsh s PRO 47 CO 0.29 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1bsh n GLY 48 N -2.81 0.42 2.71 0.56 0.00 -0.82 -3.49 105.19 101.76 1bsh n GLY 48 Ca 0.07 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 0.79 -3.58 1.61 0.00 -1.05 -2.48 117.12 112.41 1bsh n MET 49 Ca 0.00 -2.25 -0.02 0.00 0.00 0.00 0.00 57.70 55.43 1bsh n MET 49 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 33.22 33.14 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N -1.64 -0.93 -0.19 3.17 2.07 -0.88 -1.60 121.20 121.20 1bsh s ILE 50 Ca 0.36 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.53 1bsh s ILE 50 Cb -0.03 -0.94 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 1bsh s ILE 50 CO 0.23 0.01 0.12 -0.60 -1.91 0.00 0.00 174.94 172.79 1bsh s ARG 51 N 2.84 4.07 0.18 3.50 3.52 0.46 -0.94 118.95 132.58 1bsh s ARG 51 Ca -0.01 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 1bsh s ARG 51 Cb -0.12 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 1bsh s ARG 51 CO -0.18 0.36 -0.04 0.42 -0.81 0.00 0.00 175.30 175.05 1bsh s ILE 52 N 0.18 0.95 0.08 4.11 1.01 -0.62 0.95 121.20 127.85 1bsh s ILE 52 Ca 0.08 -2.02 0.03 0.00 0.00 0.00 0.00 60.65 58.74 1bsh s ILE 52 Cb -0.11 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1bsh s ILE 52 CO -0.01 -0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 173.62 1bsh s VAL 53 N -3.48 0.72 0.00 2.92 1.01 0.59 -2.82 120.40 119.34 1bsh s VAL 53 Ca 0.22 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1bsh s VAL 53 Cb 0.05 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1bsh s VAL 53 CO 0.04 -0.58 0.00 1.17 0.00 0.00 0.00 175.10 175.73 1bsh n LYS 54 N 0.73 0.00 0.00 2.72 0.00 -1.26 -1.76 118.16 118.60 1bsh n LYS 54 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.13 1bsh n LYS 54 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1bsh n GLN 55 N 0.00 0.00 -2.69 1.64 7.27 -1.20 -2.88 117.38 119.53 1bsh n GLN 55 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1bsh n GLN 55 Cb 0.00 0.00 0.08 0.00 2.41 0.00 0.00 30.24 32.73 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1bsh n HIS 56 N 0.00 -1.84 0.00 3.69 -0.00 -1.26 -3.64 115.22 112.17 1bsh n HIS 56 Ca 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 57.72 56.17 1bsh n HIS 56 Cb 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 29.99 31.47 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bsh n GLY 57 N -0.53 3.47 2.37 1.57 0.00 -1.14 -5.11 105.19 105.82 1bsh n GLY 57 Ca -0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 1bsh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsh n HIS 58 N 0.00 -1.30 -4.01 1.61 8.25 -1.24 -5.04 115.22 113.49 1bsh n HIS 58 Ca 0.00 -1.55 -0.22 0.00 -0.26 0.00 0.00 57.72 55.69 1bsh n HIS 58 Cb 0.00 0.43 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1bsh s GLU 59 N -2.45 2.76 0.24 -0.41 8.01 -1.26 -4.03 118.70 121.56 1bsh s GLU 59 Ca 0.18 -1.21 -0.22 0.00 0.01 0.00 0.00 54.97 53.73 1bsh s GLU 59 Cb -0.01 -2.47 0.04 0.00 -4.31 0.00 0.00 34.13 27.38 1bsh s GLU 59 CO 0.13 0.26 0.82 -1.83 0.01 0.00 0.00 175.26 174.65 1bsh s GLU 60 N -3.89 1.61 0.47 1.61 4.04 -1.13 -5.01 118.70 116.41 1bsh s GLU 60 Ca 0.36 -0.92 0.03 0.00 0.04 0.00 0.00 54.97 54.48 1bsh s GLU 60 Cb -0.07 0.53 -0.03 0.00 0.02 0.00 0.00 34.13 34.59 1bsh s GLU 60 CO 0.25 -0.74 0.02 -0.59 -1.84 0.00 0.00 175.26 172.36 1bsh s PHE 61 N -3.46 2.00 0.00 4.83 -0.12 -1.26 -1.59 117.98 118.38 1bsh s PHE 61 Ca 0.12 -0.92 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1bsh s PHE 61 Cb -0.04 -1.60 0.00 0.00 -0.63 0.00 0.00 43.02 40.75 1bsh s PHE 61 CO 0.06 0.23 0.00 -0.89 -0.05 0.00 0.00 175.22 174.56 1bsh n ILE 62 N -1.15 0.00 -3.61 -4.49 5.41 -0.11 -4.74 119.36 110.66 1bsh n ILE 62 Ca -0.15 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.60 1bsh n ILE 62 Cb 0.67 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.54 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bsh s TYR 63 N -2.31 -0.42 0.00 1.39 6.14 -1.26 -2.07 117.35 118.82 1bsh s TYR 63 Ca 0.00 0.83 0.00 0.00 0.64 0.00 0.00 57.07 58.54 1bsh s TYR 63 Cb 0.00 0.25 0.00 0.00 0.42 0.00 0.00 41.96 42.63 1bsh s TYR 63 CO 0.00 -0.21 0.00 1.47 0.64 0.00 0.00 175.55 177.45 1bsh n LEU 64 N 3.66 0.00 -0.06 6.97 -0.00 -1.03 -1.65 117.00 124.88 1bsh n LEU 64 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.80 1bsh n LEU 64 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1bsh n LEU 64 CO 0.03 0.00 -0.24 -1.28 -0.00 0.00 0.00 177.39 175.90 1bsh h SER 65 N 0.00 0.00 0.00 1.45 0.87 -1.85 -2.18 113.55 111.84 1bsh h SER 65 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1bsh h SER 65 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1bsh h SER 65 CO 0.00 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.60 1bsh n GLY 66 N 1.66 0.57 7.00 5.77 0.00 -1.26 0.14 105.19 119.08 1bsh n GLY 66 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.00 0.29 3.77 -0.02 0.00 -1.26 -4.16 105.19 103.82 1bsh n GLY 67 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 68 N 0.00 5.02 0.17 -0.61 1.01 -1.08 -2.58 121.20 123.14 1bsh s ILE 68 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.79 1bsh s ILE 68 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.24 1bsh s ILE 68 CO 0.00 0.58 -0.24 -0.22 0.00 0.00 0.00 174.94 175.07 1bsh s LEU 69 N -0.71 2.45 -0.13 2.97 0.20 -1.14 -2.38 118.68 119.94 1bsh s LEU 69 Ca 0.12 -0.79 -0.11 0.00 0.69 0.00 0.00 54.13 54.04 1bsh s LEU 69 Cb -0.12 -1.24 0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1bsh s LEU 69 CO 0.03 0.14 0.35 -1.61 -0.29 0.00 0.00 176.35 174.97 1bsh s GLU 70 N -2.45 0.39 -0.11 1.98 2.02 -0.54 -3.01 118.70 116.98 1bsh s GLU 70 Ca 0.19 0.52 -0.06 0.00 0.02 0.00 0.00 54.97 55.63 1bsh s GLU 70 Cb -0.09 0.15 -0.04 0.00 0.10 0.00 0.00 34.13 34.26 1bsh s GLU 70 CO 0.09 -0.07 0.13 0.54 0.02 0.00 0.00 175.26 175.98 1bsh s VAL 71 N 0.38 5.41 0.43 2.63 0.11 -1.00 -2.18 120.40 126.17 1bsh s VAL 71 Ca -0.02 0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 1bsh s VAL 71 Cb -0.04 -3.37 -0.04 0.00 -1.53 0.00 0.00 36.38 31.41 1bsh s VAL 71 CO -0.01 0.59 0.05 -1.10 -3.33 0.00 0.00 175.10 171.30 1bsh s GLN 72 N -1.09 1.97 -1.25 1.54 -0.21 0.11 -4.89 119.66 115.83 1bsh s GLN 72 Ca 0.16 -2.18 -0.19 0.00 0.02 0.00 0.00 55.36 53.16 1bsh s GLN 72 Cb -0.12 -1.18 0.04 0.00 1.00 0.00 0.00 33.01 32.75 1bsh s GLN 72 CO 0.05 -0.29 1.75 -1.25 -2.12 0.00 0.00 175.29 173.44 1bsh s PRO 73 N -3.80 3.69 0.00 2.91 0.04 -1.26 -3.36 135.00 133.21 1bsh s PRO 73 Ca 0.23 -1.77 0.00 0.00 0.04 0.00 0.00 61.00 59.50 1bsh s PRO 73 Cb 0.05 -5.47 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1bsh s PRO 73 CO 0.12 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 175.00 1bsh n GLY 74 N 5.60 1.59 0.00 0.56 0.00 -1.26 -5.08 105.19 106.60 1bsh n GLY 74 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1bsh n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsh n ASN 75 N 0.00 0.00 -4.43 1.61 6.94 -1.21 -3.96 115.26 114.20 1bsh n ASN 75 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 1bsh n ASN 75 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1bsh n ASN 75 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1bsh s VAL 76 N -0.84 1.17 0.04 3.53 -7.23 -0.87 -0.71 120.40 115.49 1bsh s VAL 76 Ca 0.00 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 1bsh s VAL 76 Cb 0.00 -2.67 0.09 0.00 0.56 0.00 0.00 36.38 34.36 1bsh s VAL 76 CO 0.00 0.00 0.74 -0.89 -0.31 0.00 0.00 175.10 174.64 1bsh s THR 77 N -3.16 0.00 -0.28 5.32 2.01 -0.93 -1.75 115.64 116.86 1bsh s THR 77 Ca 0.31 0.00 -0.21 0.00 0.31 0.00 0.00 61.69 62.10 1bsh s THR 77 Cb 0.07 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.67 1bsh s THR 77 CO 0.14 0.00 0.77 0.54 -0.69 0.00 0.00 174.62 175.39 1bsh s VAL 78 N -2.83 0.00 -0.17 3.82 0.11 -0.39 -1.47 120.40 119.47 1bsh s VAL 78 Ca -0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1bsh s VAL 78 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1bsh s VAL 78 CO -0.06 0.00 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.81 1bsh s LEU 79 N 0.88 2.47 0.00 2.54 1.43 -1.00 -2.01 118.68 122.98 1bsh s LEU 79 Ca -0.04 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1bsh s LEU 79 Cb -0.05 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.59 1bsh s LEU 79 CO -0.09 0.04 0.00 0.00 0.23 0.00 0.00 176.35 176.54 1bsh n ALA 80 N 4.36 0.00 0.00 4.21 0.00 -0.77 -2.63 120.51 125.69 1bsh n ALA 80 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1bsh n ALA 80 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsh n ASP 81 N -1.20 0.93 -4.58 0.00 9.92 -1.26 -1.28 116.55 119.08 1bsh n ASP 81 Ca 0.00 -0.37 -0.31 0.00 -0.53 0.00 0.00 54.79 53.59 1bsh n ASP 81 Cb 0.00 0.92 -0.10 0.00 -0.64 0.00 0.00 41.12 41.30 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bsh s THR 82 N -1.11 3.46 -0.48 -3.53 2.01 -1.26 -4.57 115.64 110.16 1bsh s THR 82 Ca 0.00 -1.09 0.06 0.00 0.31 0.00 0.00 61.69 60.97 1bsh s THR 82 Cb 0.00 -2.58 0.24 0.00 0.01 0.00 0.00 72.50 70.17 1bsh s THR 82 CO 0.00 0.22 0.84 0.00 -0.69 0.00 0.00 174.62 174.99 1bsh n ALA 83 N 1.01 -1.12 -2.33 7.40 0.00 -1.26 -3.41 120.51 120.81 1bsh n ALA 83 Ca -0.14 -1.54 -0.40 0.00 0.00 0.00 0.00 53.44 51.36 1bsh n ALA 83 Cb 0.52 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.69 1bsh n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 84 N 1.76 5.18 -1.17 0.00 5.41 -0.66 -4.96 119.36 124.92 1bsh n ILE 84 Ca 0.11 -5.24 -0.37 0.00 1.00 0.00 0.00 62.75 58.25 1bsh n ILE 84 Cb 0.61 -1.49 0.05 0.00 -0.71 0.00 0.00 39.64 38.11 1bsh n ILE 84 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1bsh n ARG 85 N -0.06 0.12 -1.70 0.38 1.85 -1.20 -4.54 116.66 111.52 1bsh n ARG 85 Ca 0.50 0.06 -0.38 0.00 -1.00 0.00 0.00 57.85 57.04 1bsh n ARG 85 Cb 0.26 -1.46 0.06 0.00 -1.05 0.00 0.00 32.46 30.27 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bsh n GLY 86 N 2.23 0.34 2.92 2.89 0.00 -1.26 -1.26 105.19 111.05 1bsh n GLY 86 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bsh n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bsh n GLN 87 N -1.42 -0.66 0.04 1.61 6.02 -1.26 -4.83 117.38 116.87 1bsh n GLN 87 Ca 0.14 0.16 -0.06 0.00 -0.01 0.00 0.00 57.00 57.24 1bsh n GLN 87 Cb 0.47 -3.88 0.13 0.00 1.02 0.00 0.00 30.24 27.98 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1bsh h ASP 88 N 0.00 0.45 -3.26 1.08 3.58 -1.47 -3.47 116.42 113.33 1bsh h ASP 88 Ca 0.00 -0.21 0.25 0.00 0.42 0.00 0.00 57.03 57.49 1bsh h ASP 88 Cb 0.33 -0.13 -0.26 0.00 1.72 0.00 0.00 39.33 40.99 1bsh h ASP 88 CO 0.00 0.85 0.95 -0.22 -2.88 0.00 0.00 179.24 177.94 1bsh s LEU 89 N -8.30 -0.04 -0.11 2.28 0.20 -1.26 -5.05 118.68 106.40 1bsh s LEU 89 Ca -0.06 0.04 -0.08 0.00 0.69 0.00 0.00 54.13 54.73 1bsh s LEU 89 Cb 0.12 1.10 0.03 0.00 -0.43 0.00 0.00 46.19 47.01 1bsh s LEU 89 CO 0.81 -0.04 0.15 -0.67 -0.29 0.00 0.00 176.35 176.31 1bsh n ASP 90 N 0.45 -3.50 -0.05 3.68 -0.08 -1.26 -4.94 116.55 110.85 1bsh n ASP 90 Ca 0.00 1.45 -0.11 0.00 -1.51 0.00 0.00 54.79 54.62 1bsh n ASP 90 Cb 0.59 -4.74 -0.04 0.00 2.34 0.00 0.00 41.12 39.27 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bsh n GLU 91 N 1.86 0.28 0.12 -0.67 1.02 -1.26 -4.28 120.64 117.72 1bsh n GLU 91 Ca -0.26 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.11 1bsh n GLU 91 Cb 0.40 -0.98 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh h ALA 92 N -0.49 0.63 -0.00 0.62 0.00 -2.02 -3.27 119.26 114.72 1bsh h ALA 92 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bsh h ALA 92 Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1bsh h ALA 92 CO -0.13 0.10 -0.32 0.54 0.00 0.00 0.00 179.25 179.45 1bsh n ARG 93 N -2.81 0.09 0.02 0.00 3.00 -1.26 -3.41 116.66 112.30 1bsh n ARG 93 Ca 0.00 -0.04 0.12 0.00 -0.01 0.00 0.00 57.85 57.92 1bsh n ARG 93 Cb 0.58 -1.50 0.18 0.00 0.00 0.00 0.00 32.46 31.72 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bsh n ALA 94 N -1.42 3.36 0.10 7.54 0.00 -1.23 -3.82 120.51 125.04 1bsh n ALA 94 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1bsh n ALA 94 Cb 0.33 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1bsh n ALA 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.68 -3.20 114.93 112.91 1bsh h MET 95 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bsh h MET 95 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1bsh h MET 95 CO 0.00 0.52 0.00 -0.85 1.06 0.00 0.00 176.91 177.64 1bsh n GLU 96 N -3.16 0.22 -0.03 1.72 0.28 -1.25 -3.46 120.64 114.96 1bsh n GLU 96 Ca -0.01 0.26 -0.14 0.00 -0.16 0.00 0.00 57.16 57.11 1bsh n GLU 96 Cb 0.79 -1.80 -0.09 0.00 1.43 0.00 0.00 31.44 31.77 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bsh h ALA 97 N 2.48 0.09 -0.09 -1.84 0.00 -1.71 -2.80 119.26 115.40 1bsh h ALA 97 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1bsh h ALA 97 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bsh h ALA 97 CO 0.00 -0.03 0.24 -0.22 0.00 0.00 0.00 179.25 179.24 1bsh h LYS 98 N -0.31 0.00 0.23 0.00 3.11 -1.70 0.33 116.57 118.23 1bsh h LYS 98 Ca 0.00 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.50 1bsh h LYS 98 Cb 0.69 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.95 1bsh h LYS 98 CO 0.03 0.00 -1.55 -0.09 -2.81 0.00 0.00 179.45 175.02 1bsh h ARG 99 N 0.00 0.49 -0.03 1.90 2.43 -1.63 -3.24 114.38 114.29 1bsh h ARG 99 Ca 0.04 -0.84 0.00 0.00 -0.81 0.00 0.00 59.98 58.37 1bsh h ARG 99 Cb 0.52 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1bsh h ARG 99 CO -0.00 1.40 0.00 0.36 -1.51 0.00 0.00 179.97 180.22 1bsh n LYS 100 N -3.67 1.68 -0.02 0.20 2.85 -0.14 -3.84 118.16 115.23 1bsh n LYS 100 Ca -0.19 -0.99 -0.11 0.00 -1.05 0.00 0.00 58.31 55.97 1bsh n LYS 100 Cb 1.10 -1.47 -0.14 0.00 -0.65 0.00 0.00 35.03 33.86 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh n ALA 101 N 0.20 1.36 0.26 0.58 0.00 0.97 -3.89 120.51 120.00 1bsh n ALA 101 Ca 0.19 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 53.00 1bsh n ALA 101 Cb 0.36 -0.81 0.70 0.00 0.00 0.00 0.00 19.45 19.70 1bsh n ALA 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bsh h GLU 102 N 0.02 0.00 -0.38 0.00 4.57 -1.66 -2.13 114.58 114.99 1bsh h GLU 102 Ca -0.32 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.75 1bsh h GLU 102 Cb 2.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.60 1bsh h GLU 102 CO 0.08 0.12 -0.22 1.49 -1.18 0.00 0.00 179.01 179.29 1bsh h GLU 103 N 0.00 0.76 0.00 1.92 4.81 -1.75 -2.14 114.58 118.18 1bsh h GLU 103 Ca -0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1bsh h GLU 103 Cb 0.27 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1bsh h GLU 103 CO 0.02 0.92 0.00 1.25 -0.73 0.00 0.00 179.01 180.46 1bsh h HIS 104 N 0.67 0.00 -0.27 0.92 2.76 -1.55 -2.29 115.15 115.39 1bsh h HIS 104 Ca 0.09 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 1bsh h HIS 104 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1bsh h HIS 104 CO 0.04 0.00 0.00 -0.89 -1.30 0.00 0.00 177.93 175.78 1bsh n ILE 105 N -2.49 1.26 -1.52 6.26 2.08 -0.81 -4.88 119.36 119.25 1bsh n ILE 105 Ca 0.01 -0.64 -0.24 0.00 0.56 0.00 0.00 62.75 62.44 1bsh n ILE 105 Cb 0.23 -0.38 -0.15 0.00 -0.75 0.00 0.00 39.64 38.58 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1bsh n SER 106 N 0.29 0.12 -4.49 4.38 2.88 -0.86 -4.78 113.62 111.16 1bsh n SER 106 Ca 0.13 -0.68 -0.49 0.00 -1.33 0.00 0.00 58.87 56.50 1bsh n SER 106 Cb 0.68 -1.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.08 1bsh n SER 106 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bsh n SER 107 N 11.08 -0.02 -3.50 -3.46 7.64 -1.26 -4.95 113.62 119.15 1bsh n SER 107 Ca 0.59 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 61.52 1bsh n SER 107 Cb 0.24 -1.06 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1bsh n SER 107 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bsh s SER 108 N -0.54 -0.39 1.06 6.43 1.04 -1.26 -5.15 113.70 114.88 1bsh s SER 108 Ca 0.69 0.05 -0.18 0.00 0.48 0.00 0.00 55.95 57.00 1bsh s SER 108 Cb -0.93 0.40 0.04 0.00 0.10 0.00 0.00 66.02 65.64 1bsh s SER 108 CO 0.56 -0.63 -0.11 1.41 0.98 0.00 0.00 173.24 175.45 1bsh n HIS 109 N -0.15 -1.64 0.00 5.02 8.25 -1.26 -4.88 115.22 120.56 1bsh n HIS 109 Ca -0.10 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1bsh n HIS 109 Cb 0.62 -1.59 0.00 0.00 1.12 0.00 0.00 29.99 30.13 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N 2.13 3.81 0.00 -1.41 0.00 -1.26 -4.78 105.19 103.69 1bsh n GLY 110 Ca 0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1bsh n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bsh n ASP 111 N 0.00 0.00 -0.64 1.61 2.03 -1.26 -4.41 116.55 113.87 1bsh n ASP 111 Ca 0.00 0.58 0.06 0.00 0.52 0.00 0.00 54.79 55.95 1bsh n ASP 111 Cb 0.00 -0.39 0.17 0.00 -0.72 0.00 0.00 41.12 40.18 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1bsh n VAL 112 N -1.66 1.32 0.00 5.18 0.24 -1.26 -4.58 118.33 117.57 1bsh n VAL 112 Ca 0.00 -1.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1bsh n VAL 112 Cb 0.00 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N 0.17 0.00 0.17 -1.34 2.03 -1.26 -1.45 116.55 114.87 1bsh n ASP 113 Ca 0.13 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.57 1bsh n ASP 113 Cb 0.53 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.49 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsh h TYR 114 N 0.00 0.00 0.00 -0.67 -0.00 -1.89 -2.05 116.97 112.36 1bsh h TYR 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1bsh h TYR 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1bsh h ALA 115 N 2.18 1.00 0.00 0.10 0.00 -1.80 -1.57 119.26 119.17 1bsh h ALA 115 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1bsh h ALA 115 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1bsh h ALA 115 CO 0.00 0.00 -1.46 0.37 0.00 0.00 0.00 179.25 178.16 1bsh h GLN 116 N 0.00 0.00 0.00 0.00 4.15 -0.49 -3.31 115.11 115.46 1bsh h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bsh h GLN 116 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1bsh h GLN 116 CO 0.00 0.44 -0.19 0.00 -1.93 0.00 0.00 178.83 177.15 1bsh n ALA 117 N -2.45 2.51 0.23 3.38 0.00 -0.63 -3.35 120.51 120.19 1bsh n ALA 117 Ca -0.11 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1bsh n ALA 117 Cb 0.94 -1.38 0.48 0.00 0.00 0.00 0.00 19.45 19.49 1bsh n ALA 117 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bsh h SER 118 N 0.00 0.00 1.00 0.00 0.02 -1.54 -2.54 113.55 110.49 1bsh h SER 118 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1bsh h SER 118 Cb 0.71 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1bsh h SER 118 CO 0.00 0.19 -1.06 0.00 -1.14 0.00 0.00 176.83 174.83 1bsh h ALA 119 N 1.81 0.64 0.00 3.77 0.00 -1.73 -3.28 119.26 120.46 1bsh h ALA 119 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bsh h ALA 119 Cb 0.72 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1bsh h ALA 119 CO 0.03 0.59 -0.32 0.39 0.00 0.00 0.00 179.25 179.93 1bsh n GLU 120 N -2.92 0.02 -0.04 0.00 -0.58 -1.08 -3.56 120.64 112.49 1bsh n GLU 120 Ca -0.04 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.69 1bsh n GLU 120 Cb 0.73 -1.52 -0.01 0.00 -0.57 0.00 0.00 31.44 30.08 1bsh n GLU 120 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1bsh h LEU 121 N 0.00 0.00 -1.84 -4.62 -0.00 -1.52 -3.35 115.31 103.98 1bsh h LEU 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1bsh h LEU 121 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1bsh h LEU 121 CO 0.00 0.42 0.27 0.00 -0.00 0.00 0.00 178.44 179.13 1bsh h ALA 122 N -1.36 1.25 -0.93 1.53 0.00 -1.74 -1.23 119.26 116.79 1bsh h ALA 122 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1bsh h ALA 122 Cb 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1bsh h ALA 122 CO 0.00 -0.25 0.56 -0.22 0.00 0.00 0.00 179.25 179.34 1bsh h LYS 123 N 0.00 0.87 0.10 0.00 3.64 -1.69 -0.49 116.57 119.01 1bsh h LYS 123 Ca 0.00 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.00 1bsh h LYS 123 Cb 0.54 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1bsh h LYS 123 CO 0.00 0.58 -1.72 0.00 -2.27 0.00 0.00 179.45 176.04 1bsh h ALA 124 N 1.51 0.40 0.00 5.00 0.00 -1.42 -3.29 119.26 121.47 1bsh h ALA 124 Ca 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1bsh h ALA 124 Cb 0.46 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1bsh h ALA 124 CO -0.27 1.26 0.00 -0.89 0.00 0.00 0.00 179.25 179.36 1bsh n ILE 125 N -3.40 1.47 0.01 0.00 -0.00 -0.94 -1.91 119.36 114.60 1bsh n ILE 125 Ca -0.22 0.40 -0.07 0.00 -0.00 0.00 0.00 62.75 62.86 1bsh n ILE 125 Cb 1.05 -1.29 0.12 0.00 -0.00 0.00 0.00 39.64 39.51 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bsh h ALA 126 N 2.22 0.87 -0.02 -1.39 0.00 -1.17 -2.29 119.26 117.48 1bsh h ALA 126 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bsh h ALA 126 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1bsh h ALA 126 CO 0.00 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1bsh n GLN 127 N -4.02 1.08 0.04 0.00 -0.00 -0.80 -3.42 117.38 110.26 1bsh n GLN 127 Ca -0.02 -0.13 -0.17 0.00 -0.00 0.00 0.00 57.00 56.68 1bsh n GLN 127 Cb 0.52 -1.25 -0.14 0.00 -0.00 0.00 0.00 30.24 29.37 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1bsh h LEU 128 N 0.25 0.37 -0.31 2.61 6.46 -1.52 -2.87 115.31 120.29 1bsh h LEU 128 Ca 0.00 -0.59 -0.20 0.00 -0.12 0.00 0.00 57.88 56.97 1bsh h LEU 128 Cb 0.05 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1bsh h LEU 128 CO 0.00 1.50 -0.83 0.03 -0.62 0.00 0.00 178.44 178.53 1bsh h ARG 129 N 0.06 0.36 -0.15 1.25 -0.00 -1.66 -2.69 114.38 111.55 1bsh h ARG 129 Ca -0.29 -0.34 -0.18 0.00 -0.50 0.00 0.00 59.98 58.67 1bsh h ARG 129 Cb 2.03 0.09 -0.00 0.00 0.00 0.00 0.00 29.97 32.08 1bsh h ARG 129 CO 0.14 1.00 -0.65 -0.39 0.00 0.00 0.00 179.97 180.08 1bsh h VAL 130 N 0.22 1.33 -0.07 2.04 -1.51 -1.69 -2.93 116.25 113.66 1bsh h VAL 130 Ca -0.05 -1.94 -0.09 0.00 -1.23 0.00 0.00 66.70 63.38 1bsh h VAL 130 Cb 1.43 1.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.50 1bsh h VAL 130 CO 0.14 0.60 -0.39 -0.29 -1.23 0.00 0.00 177.57 176.40 1bsh h ILE 131 N 0.40 1.29 0.00 7.19 2.10 -1.49 -2.24 117.51 124.77 1bsh h ILE 131 Ca -0.02 -1.41 0.00 0.00 1.08 0.00 0.00 64.86 64.51 1bsh h ILE 131 Cb 1.22 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 38.63 1bsh h ILE 131 CO 0.12 0.42 0.00 -0.33 -1.08 0.00 0.00 178.15 177.28 1bsh h GLU 132 N 0.12 0.00 -0.24 2.19 4.39 -1.35 -3.15 114.58 116.53 1bsh h GLU 132 Ca 0.01 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1bsh h GLU 132 Cb 0.74 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1bsh h GLU 132 CO 0.06 0.00 -0.41 -0.07 -1.16 0.00 0.00 179.01 177.42 1bsh h LEU 133 N 0.00 0.79 -0.36 1.33 3.38 -1.22 -2.85 115.31 116.38 1bsh h LEU 133 Ca 0.00 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1bsh h LEU 133 Cb 0.63 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1bsh h LEU 133 CO 0.00 1.16 0.00 1.07 0.09 0.00 0.00 178.44 180.76 1bsh n THR 134 N -4.19 0.71 -0.11 0.22 5.66 -1.19 -2.97 114.28 112.42 1bsh n THR 134 Ca -0.05 0.03 0.02 0.00 -3.05 0.00 0.00 64.05 61.01 1bsh n THR 134 Cb 0.55 -0.91 0.33 0.00 -1.55 0.00 0.00 70.33 68.75 1bsh n THR 134 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1bsh h LYS 135 N 0.00 0.76 -0.01 1.09 1.57 -1.50 -0.78 116.57 117.70 1bsh h LYS 135 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1bsh h LYS 135 Cb 0.50 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1bsh h LYS 135 CO 0.00 0.51 -0.31 0.36 -0.57 0.00 0.00 179.45 179.43 1bsh n LYS 136 N -4.44 1.23 0.33 3.15 2.85 -1.16 -4.38 118.16 115.75 1bsh n LYS 136 Ca 0.06 -0.92 -0.17 0.00 -1.05 0.00 0.00 58.31 56.22 1bsh n LYS 136 Cb 0.05 -1.48 -0.09 0.00 -0.65 0.00 0.00 35.03 32.86 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh h ALA 137 N 3.94 -0.91 0.00 0.58 0.00 -1.13 -3.53 119.26 118.21 1bsh h ALA 137 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bsh h ALA 137 Cb 0.67 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bsh h ALA 137 CO 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.22