#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 0.31 0.31 0.00 -2.45 -1.26 -4.95 119.30 111.25 1bsh s MET 2 Ca 0.00 0.59 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 1bsh s MET 2 Cb 0.00 -0.01 0.00 0.00 1.25 0.00 0.00 34.83 36.07 1bsh s MET 2 CO 0.00 -0.13 0.00 0.25 1.05 0.00 0.00 175.02 176.19 1bsh n THR 3 N 3.88 0.00 -0.24 10.11 -2.24 -1.26 -4.96 114.28 119.57 1bsh n THR 3 Ca -0.21 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1bsh n THR 3 Cb 0.55 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n TYR 4 N -3.43 0.00 -4.06 4.78 4.11 -0.72 -4.51 117.16 113.33 1bsh n TYR 4 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.57 1bsh n TYR 4 Cb 0.62 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.89 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N -2.08 3.20 0.14 -3.48 5.65 -1.03 -0.95 115.29 116.73 1bsh s HIS 5 Ca 0.00 0.09 -0.00 0.00 0.25 0.00 0.00 55.06 55.40 1bsh s HIS 5 Cb 0.00 -1.63 -0.04 0.00 -1.18 0.00 0.00 32.58 29.72 1bsh s HIS 5 CO 0.00 0.52 0.04 -0.48 -0.65 0.00 0.00 174.74 174.17 1bsh s LEU 6 N -2.32 1.92 -0.47 8.88 0.05 -0.80 -1.40 118.68 124.54 1bsh s LEU 6 Ca 0.29 -1.19 0.06 0.00 0.05 0.00 0.00 54.13 53.34 1bsh s LEU 6 Cb -0.12 0.19 0.18 0.00 -2.05 0.00 0.00 46.19 44.39 1bsh s LEU 6 CO 0.21 -0.68 0.61 -0.62 -0.55 0.00 0.00 176.35 175.33 1bsh s ASP 7 N -3.08 -0.66 -0.37 1.48 -1.08 0.13 -1.67 116.67 111.43 1bsh s ASP 7 Ca 0.23 -1.90 -0.11 0.00 -0.52 0.00 0.00 52.55 50.25 1bsh s ASP 7 Cb 0.07 1.32 0.03 0.00 -1.46 0.00 0.00 42.92 42.87 1bsh s ASP 7 CO 0.02 -0.11 0.20 0.54 0.52 0.00 0.00 175.17 176.35 1bsh s VAL 8 N 0.85 4.59 0.03 1.11 0.11 -0.11 -1.89 120.40 125.09 1bsh s VAL 8 Ca 0.28 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1bsh s VAL 8 Cb -0.01 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 1bsh s VAL 8 CO -0.08 -0.22 0.00 1.33 -3.33 0.00 0.00 175.10 172.80 1bsh n VAL 9 N 5.00 0.00 -3.51 2.04 0.24 -0.73 -2.30 118.33 119.07 1bsh n VAL 9 Ca -0.12 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1bsh n VAL 9 Cb 0.46 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1bsh n VAL 9 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1bsh n SER 10 N -1.10 0.00 0.00 -1.34 3.41 -1.26 -1.49 113.62 111.84 1bsh n SER 10 Ca -0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1bsh n SER 10 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh n ALA 11 N -3.00 -0.01 -3.18 7.33 0.00 -1.04 -4.32 120.51 116.29 1bsh n ALA 11 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1bsh n ALA 11 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 19.45 19.62 1bsh n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 12 N -1.14 0.84 -4.08 0.00 -0.00 -1.26 -5.06 120.64 109.94 1bsh n GLU 12 Ca 0.00 -3.26 -0.11 0.00 -0.00 0.00 0.00 57.16 53.79 1bsh n GLU 12 Cb 0.00 -1.45 -0.06 0.00 -0.00 0.00 0.00 31.44 29.92 1bsh n GLU 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1bsh s GLN 13 N -1.73 1.53 0.25 3.44 -1.52 -1.26 -5.10 119.66 115.27 1bsh s GLN 13 Ca 0.37 -1.49 -0.07 0.00 -1.95 0.00 0.00 55.36 52.22 1bsh s GLN 13 Cb 0.26 0.40 -0.06 0.00 -0.22 0.00 0.00 33.01 33.39 1bsh s GLN 13 CO -0.10 -0.60 0.54 -1.14 -0.25 0.00 0.00 175.29 173.74 1bsh s GLN 14 N -3.83 3.72 0.00 2.91 -0.44 -1.26 -4.35 119.66 116.41 1bsh s GLN 14 Ca 0.29 0.14 0.00 0.00 -2.50 0.00 0.00 55.36 53.30 1bsh s GLN 14 Cb 0.02 -2.65 0.00 0.00 -1.64 0.00 0.00 33.01 28.73 1bsh s GLN 14 CO 0.13 0.28 0.00 -1.33 0.50 0.00 0.00 175.29 174.86 1bsh n MET 15 N -0.47 0.00 -3.64 1.67 2.81 -1.26 -4.92 117.12 111.30 1bsh n MET 15 Ca -0.01 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1bsh n MET 15 Cb 0.53 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.36 -0.55 -0.30 2.03 2.19 -0.97 -5.00 117.98 115.01 1bsh s PHE 16 Ca 0.00 1.21 -0.00 0.00 0.33 0.00 0.00 56.93 58.47 1bsh s PHE 16 Cb 0.00 0.37 0.19 0.00 -1.31 0.00 0.00 43.02 42.27 1bsh s PHE 16 CO 0.00 -0.27 0.77 -1.54 1.83 0.00 0.00 175.22 176.01 1bsh s SER 17 N 0.82 -1.16 0.00 6.13 1.04 -1.26 -0.93 113.70 118.34 1bsh s SER 17 Ca -0.03 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1bsh s SER 17 Cb -0.04 1.70 0.00 0.00 0.10 0.00 0.00 66.02 67.78 1bsh s SER 17 CO -0.11 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1bsh n GLY 18 N 5.16 -0.29 3.69 7.32 0.00 -0.67 -5.00 105.19 115.40 1bsh n GLY 18 Ca 0.07 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 2.54 0.05 0.99 1.43 -1.26 -1.90 118.68 120.53 1bsh s LEU 19 Ca 0.00 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 54.68 1bsh s LEU 19 Cb 0.00 -4.28 0.10 0.00 0.03 0.00 0.00 46.19 42.04 1bsh s LEU 19 CO 0.00 -2.83 1.18 0.54 0.23 0.00 0.00 176.35 175.47 1bsh s VAL 20 N -2.76 0.00 0.00 -1.59 0.11 -0.13 -4.65 120.40 111.38 1bsh s VAL 20 Ca 0.65 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 59.33 1bsh s VAL 20 Cb -0.20 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 1bsh s VAL 20 CO 0.58 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.56 1bsh n GLU 21 N -0.52 0.00 -3.65 1.54 2.13 0.14 -1.75 120.64 118.53 1bsh n GLU 21 Ca -0.07 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 1bsh n GLU 21 Cb 0.62 -0.60 -0.07 0.00 0.27 0.00 0.00 31.44 31.67 1bsh n GLU 21 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bsh s LYS 22 N -2.00 0.28 -0.16 5.31 1.02 -1.14 -4.52 119.74 118.53 1bsh s LYS 22 Ca 0.00 0.44 -0.04 0.00 0.02 0.00 0.00 55.97 56.39 1bsh s LYS 22 Cb 0.00 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1bsh s LYS 22 CO 0.00 -0.05 -0.02 0.96 -0.92 0.00 0.00 175.35 175.32 1bsh s ILE 23 N 0.90 4.01 -0.67 2.17 -4.36 -1.09 -1.47 121.20 120.69 1bsh s ILE 23 Ca -0.04 -0.32 -0.15 0.00 -0.26 0.00 0.00 60.65 59.88 1bsh s ILE 23 Cb -0.04 -2.77 0.17 0.00 1.25 0.00 0.00 42.46 41.07 1bsh s ILE 23 CO -0.12 0.48 0.63 -1.10 0.24 0.00 0.00 174.94 175.08 1bsh s GLN 24 N 0.41 3.26 0.10 0.37 -0.21 -0.29 -1.10 119.66 122.20 1bsh s GLN 24 Ca -0.03 -2.00 -0.00 0.00 0.02 0.00 0.00 55.36 53.35 1bsh s GLN 24 Cb -0.14 -4.36 -0.04 0.00 1.00 0.00 0.00 33.01 29.47 1bsh s GLN 24 CO 0.03 -1.33 0.26 0.08 -2.12 0.00 0.00 175.29 172.21 1bsh s VAL 25 N 1.09 5.33 -0.26 1.09 1.01 -1.18 -0.52 120.40 126.95 1bsh s VAL 25 Ca 0.10 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.42 1bsh s VAL 25 Cb -0.21 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1bsh s VAL 25 CO -0.02 0.04 0.75 0.28 0.00 0.00 0.00 175.10 176.16 1bsh s THR 26 N -1.62 0.00 0.00 3.92 -1.32 -0.97 -3.34 115.64 112.32 1bsh s THR 26 Ca 0.36 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 1bsh s THR 26 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 1bsh s THR 26 CO 0.28 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1bsh n GLY 27 N 2.56 3.96 0.15 6.08 0.00 -1.25 -2.42 105.19 114.28 1bsh n GLY 27 Ca -0.14 -2.13 -0.05 0.00 0.00 0.00 0.00 46.02 43.70 1bsh n GLY 27 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1bsh h SER 28 N 0.00 -0.58 0.47 1.61 0.87 -1.94 0.37 113.55 114.35 1bsh h SER 28 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1bsh h SER 28 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1bsh h SER 28 CO 0.00 -0.16 0.00 1.21 -0.53 0.00 0.00 176.83 177.35 1bsh n GLU 29 N -3.53 0.15 0.00 2.24 2.13 -1.26 -4.94 120.64 115.42 1bsh n GLU 29 Ca -0.02 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1bsh n GLU 29 Cb 0.12 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.00 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bsh n GLY 30 N -0.43 2.94 3.10 8.31 0.00 0.13 -5.13 105.19 114.11 1bsh n GLY 30 Ca 0.01 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 1bsh n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bsh s GLU 31 N -3.85 0.57 0.89 1.61 2.12 -1.25 -3.75 118.70 115.04 1bsh s GLU 31 Ca 0.00 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.38 1bsh s GLU 31 Cb 0.00 0.22 0.16 0.00 0.26 0.00 0.00 34.13 34.77 1bsh s GLU 31 CO 0.00 -0.13 1.24 -0.51 -0.54 0.00 0.00 175.26 175.32 1bsh s LEU 32 N -2.20 2.71 0.44 2.70 1.02 -1.21 -3.90 118.68 118.23 1bsh s LEU 32 Ca -0.04 0.31 0.07 0.00 0.02 0.00 0.00 54.13 54.49 1bsh s LEU 32 Cb -0.00 -2.51 -0.03 0.00 0.02 0.00 0.00 46.19 43.67 1bsh s LEU 32 CO -0.05 -2.42 0.24 -0.83 0.02 0.00 0.00 176.35 173.30 1bsh s GLY 33 N -4.79 2.34 -0.05 -3.19 0.00 -1.26 -3.12 107.32 97.25 1bsh s GLY 33 Ca 0.70 -1.88 -0.04 0.00 0.00 0.00 0.00 44.72 43.49 1bsh s GLY 33 CO 0.51 -1.89 0.17 -0.42 0.00 0.00 0.00 173.10 171.47 1bsh s ILE 34 N -2.61 5.46 0.26 0.90 -1.09 -0.26 -4.90 121.20 118.95 1bsh s ILE 34 Ca 0.40 -0.01 -0.17 0.00 -2.23 0.00 0.00 60.65 58.64 1bsh s ILE 34 Cb 0.02 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.41 1bsh s ILE 34 CO 0.23 0.43 0.58 -0.72 -1.23 0.00 0.00 174.94 174.23 1bsh s TYR 35 N -1.22 0.08 -1.10 3.97 1.13 -1.26 -2.66 117.35 116.30 1bsh s TYR 35 Ca 0.23 -0.48 -0.23 0.00 -1.41 0.00 0.00 57.07 55.18 1bsh s TYR 35 Cb -0.12 0.43 -0.08 0.00 -1.10 0.00 0.00 41.96 41.09 1bsh s TYR 35 CO 0.13 -1.09 1.94 -1.25 -2.51 0.00 0.00 175.55 172.78 1bsh s PRO 36 N -3.96 2.49 0.00 -3.49 0.04 -1.26 -2.26 135.00 126.56 1bsh s PRO 36 Ca 0.16 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1bsh s PRO 36 Cb -0.03 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1bsh s PRO 36 CO 0.07 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 173.69 1bsh n GLY 37 N 6.13 0.73 0.00 0.56 0.00 -1.26 -4.06 105.19 107.28 1bsh n GLY 37 Ca 0.43 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 -0.26 1.61 -0.00 -0.96 -5.00 115.22 110.62 1bsh n HIS 38 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1bsh n HIS 38 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bsh n ALA 39 N -0.80 -0.66 -2.16 1.57 0.00 -1.26 -4.45 120.51 112.75 1bsh n ALA 39 Ca 0.13 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.26 1bsh n ALA 39 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.15 2.80 -3.31 0.00 -0.04 -1.26 -4.86 135.00 126.18 1bsh n PRO 40 Ca -0.00 -2.88 -0.39 0.00 -0.04 0.00 0.00 63.50 60.18 1bsh n PRO 40 Cb 0.12 -3.42 -0.08 0.00 -0.04 0.00 0.00 33.50 30.08 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 4.14 4.09 -0.40 1.53 2.01 -1.26 -4.99 118.68 123.80 1bsh s LEU 41 Ca 0.54 0.51 0.06 0.00 0.01 0.00 0.00 54.13 55.24 1bsh s LEU 41 Cb 0.07 -2.59 0.21 0.00 0.01 0.00 0.00 46.19 43.89 1bsh s LEU 41 CO 0.04 -0.19 0.43 -0.11 1.01 0.00 0.00 176.35 177.53 1bsh n LEU 42 N 5.07 -0.24 0.00 1.79 0.00 -1.26 -2.22 117.00 120.15 1bsh n LEU 42 Ca -0.06 -4.49 0.00 0.00 0.00 0.00 0.00 56.01 51.45 1bsh n LEU 42 Cb 0.50 0.60 0.00 0.00 0.00 0.00 0.00 43.42 44.52 1bsh n LEU 42 CO 0.40 1.96 0.00 0.35 0.00 0.00 0.00 177.39 180.10 1bsh n THR 43 N 2.16 0.00 -3.56 1.96 -2.24 -1.15 -5.00 114.28 106.46 1bsh n THR 43 Ca 0.25 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.83 1bsh n THR 43 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh s ALA 44 N -2.00 4.07 0.44 6.98 0.00 -1.26 -1.26 121.76 128.72 1bsh s ALA 44 Ca 0.00 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.18 1bsh s ALA 44 Cb 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 1bsh s ALA 44 CO 0.00 -0.20 0.28 0.96 0.00 0.00 0.00 175.76 176.80 1bsh s ILE 45 N -2.44 2.26 0.35 0.00 -0.00 -0.97 -4.65 121.20 115.74 1bsh s ILE 45 Ca 0.48 -1.55 0.09 0.00 -0.00 0.00 0.00 60.65 59.66 1bsh s ILE 45 Cb -0.04 -2.81 -0.05 0.00 -0.00 0.00 0.00 42.46 39.55 1bsh s ILE 45 CO 0.28 0.00 0.05 -0.54 -0.00 0.00 0.00 174.94 174.73 1bsh s LYS 46 N -4.05 2.13 -0.28 0.37 3.01 -1.26 -4.34 119.74 115.32 1bsh s LYS 46 Ca 0.41 -1.74 -0.29 0.00 -1.01 0.00 0.00 55.97 53.34 1bsh s LYS 46 Cb 0.00 -1.96 0.01 0.00 -1.01 0.00 0.00 37.83 34.87 1bsh s LYS 46 CO 0.23 0.10 1.15 -1.25 0.51 0.00 0.00 175.35 176.10 1bsh s PRO 47 N -3.75 4.08 0.00 -1.68 0.04 0.27 -4.47 135.00 129.49 1bsh s PRO 47 Ca 0.36 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1bsh s PRO 47 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1bsh s PRO 47 CO 0.20 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.76 1bsh n GLY 48 N 3.87 1.77 3.84 0.56 0.00 -1.10 -3.46 105.19 110.67 1bsh n GLY 48 Ca 0.13 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 1bsh n GLY 48 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bsh s MET 49 N 1.70 2.23 0.03 1.61 0.23 -1.02 -2.76 119.30 121.32 1bsh s MET 49 Ca 0.00 -2.17 -0.17 0.00 -1.03 0.00 0.00 55.69 52.33 1bsh s MET 49 Cb 0.00 -1.86 0.03 0.00 -1.53 0.00 0.00 34.83 31.47 1bsh s MET 49 CO 0.00 -0.49 0.37 -1.50 -2.03 0.00 0.00 175.02 171.38 1bsh s ILE 50 N -2.81 0.06 0.46 3.16 2.07 -1.09 -2.29 121.20 120.77 1bsh s ILE 50 Ca 0.23 -0.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.99 1bsh s ILE 50 Cb -0.00 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1bsh s ILE 50 CO 0.14 -0.28 0.04 -0.60 -1.91 0.00 0.00 174.94 172.33 1bsh s ARG 51 N -2.16 2.06 -0.27 3.50 3.52 0.32 -0.45 118.95 125.47 1bsh s ARG 51 Ca -0.07 -2.28 -0.26 0.00 -0.13 0.00 0.00 55.73 52.99 1bsh s ARG 51 Cb -0.02 -1.25 0.14 0.00 -1.56 0.00 0.00 34.95 32.27 1bsh s ARG 51 CO -0.00 -0.35 1.15 -1.50 -0.81 0.00 0.00 175.30 173.79 1bsh s ILE 52 N -2.97 0.00 -0.18 4.11 2.07 0.21 -1.14 121.20 123.29 1bsh s ILE 52 Ca 0.16 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1bsh s ILE 52 Cb 0.03 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.67 1bsh s ILE 52 CO 0.09 0.00 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.38 1bsh s VAL 53 N -0.06 1.15 0.42 4.00 1.01 -0.54 -2.13 120.40 124.25 1bsh s VAL 53 Ca 0.04 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.00 1bsh s VAL 53 Cb -0.04 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.87 1bsh s VAL 53 CO -0.08 0.05 1.34 -0.54 0.00 0.00 0.00 175.10 175.86 1bsh s LYS 54 N 1.60 3.88 0.57 2.72 -0.14 -0.46 0.29 119.74 128.20 1bsh s LYS 54 Ca -0.01 2.22 0.38 0.00 -1.36 0.00 0.00 55.97 57.20 1bsh s LYS 54 Cb -0.16 -2.72 1.42 0.00 -1.68 0.00 0.00 37.83 34.69 1bsh s LYS 54 CO -0.07 -0.59 1.59 0.37 -0.76 0.00 0.00 175.35 175.88 1bsh h GLN 55 N 2.56 0.00 0.00 1.68 4.15 -1.83 -3.29 115.11 118.38 1bsh h GLN 55 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1bsh h GLN 55 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1bsh h GLN 55 CO 0.62 0.00 0.00 1.58 -1.93 0.00 0.00 178.83 179.10 1bsh n HIS 56 N -3.75 0.00 0.00 3.99 -0.00 -1.26 -4.96 115.22 109.24 1bsh n HIS 56 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1bsh n HIS 56 Cb 1.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.52 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 0.00 2.23 3.90 1.57 0.00 -1.24 -5.16 105.19 106.49 1bsh n GLY 57 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1bsh n GLY 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 58 N 1.76 2.44 -0.23 1.61 5.65 -1.26 -4.86 115.29 120.39 1bsh s HIS 58 Ca 0.00 -0.56 -0.18 0.00 0.25 0.00 0.00 55.06 54.57 1bsh s HIS 58 Cb 0.00 -2.15 0.06 0.00 -1.18 0.00 0.00 32.58 29.32 1bsh s HIS 58 CO 0.00 -0.28 0.59 -1.83 -0.65 0.00 0.00 174.74 172.57 1bsh s GLU 59 N -4.21 0.65 0.11 2.88 1.03 -1.26 -1.35 118.70 116.55 1bsh s GLU 59 Ca 0.47 0.90 -0.07 0.00 0.03 0.00 0.00 54.97 56.31 1bsh s GLU 59 Cb -0.04 0.25 0.03 0.00 -0.80 0.00 0.00 34.13 33.57 1bsh s GLU 59 CO 0.28 -0.11 0.36 0.39 -1.33 0.00 0.00 175.26 174.85 1bsh n GLU 60 N 3.30 0.34 -4.67 -4.83 1.02 -0.91 -4.96 120.64 109.93 1bsh n GLU 60 Ca -0.16 -0.71 -0.25 0.00 -0.02 0.00 0.00 57.16 56.01 1bsh n GLU 60 Cb 0.56 0.93 -0.14 0.00 -0.02 0.00 0.00 31.44 32.77 1bsh n GLU 60 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1bsh s PHE 61 N -5.36 1.75 0.00 -0.32 -0.12 -1.26 -0.62 117.98 112.05 1bsh s PHE 61 Ca 0.08 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1bsh s PHE 61 Cb -0.01 -1.05 0.00 0.00 -0.63 0.00 0.00 43.02 41.32 1bsh s PHE 61 CO 0.03 0.07 0.00 -0.89 -0.05 0.00 0.00 175.22 174.38 1bsh n ILE 62 N 1.98 0.00 -3.65 -4.49 2.08 0.40 -4.18 119.36 111.51 1bsh n ILE 62 Ca -0.17 0.00 -0.00 0.00 0.56 0.00 0.00 62.75 63.14 1bsh n ILE 62 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 39.36 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1bsh s TYR 63 N 2.77 -0.26 0.38 1.39 6.14 -1.26 -2.66 117.35 123.86 1bsh s TYR 63 Ca 0.00 0.54 0.04 0.00 0.64 0.00 0.00 57.07 58.29 1bsh s TYR 63 Cb 0.00 0.19 -0.03 0.00 0.42 0.00 0.00 41.96 42.54 1bsh s TYR 63 CO 0.00 -0.13 0.14 -0.48 0.64 0.00 0.00 175.55 175.72 1bsh s LEU 64 N 1.06 1.94 -0.13 6.97 2.34 -1.11 -2.99 118.68 126.76 1bsh s LEU 64 Ca -0.07 -1.65 -0.08 0.00 0.06 0.00 0.00 54.13 52.39 1bsh s LEU 64 Cb -0.03 -0.03 -0.06 0.00 -0.56 0.00 0.00 46.19 45.51 1bsh s LEU 64 CO -0.12 -0.91 -0.20 -0.24 -1.06 0.00 0.00 176.35 173.82 1bsh n SER 65 N -1.23 1.19 0.00 1.48 2.88 -1.25 -2.73 113.62 113.96 1bsh n SER 65 Ca -0.04 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1bsh n SER 65 Cb 0.65 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bsh n GLY 66 N 2.12 2.40 0.00 0.46 0.00 -1.26 -0.56 105.19 108.35 1bsh n GLY 66 Ca -0.25 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.70 3.01 -0.02 0.00 -1.26 -3.92 105.19 103.71 1bsh n GLY 67 Ca 0.00 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 1bsh n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bsh s ILE 68 N -1.32 1.27 -0.04 -0.61 2.07 -0.79 -2.29 121.20 119.48 1bsh s ILE 68 Ca 0.00 -0.51 -0.05 0.00 -1.41 0.00 0.00 60.65 58.69 1bsh s ILE 68 Cb 0.00 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1bsh s ILE 68 CO 0.00 0.40 0.18 -0.22 -1.91 0.00 0.00 174.94 173.39 1bsh s LEU 69 N 1.03 4.38 -0.03 8.50 0.20 -0.39 -2.39 118.68 129.99 1bsh s LEU 69 Ca -0.07 0.41 -0.01 0.00 0.69 0.00 0.00 54.13 55.15 1bsh s LEU 69 Cb -0.15 -2.45 0.02 0.00 -0.43 0.00 0.00 46.19 43.18 1bsh s LEU 69 CO -0.01 0.31 0.05 -0.70 -0.29 0.00 0.00 176.35 175.71 1bsh s GLU 70 N -1.63 0.02 0.17 1.98 2.12 -0.60 -2.92 118.70 117.84 1bsh s GLU 70 Ca 0.23 0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.76 1bsh s GLU 70 Cb -0.13 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 1bsh s GLU 70 CO 0.14 -0.10 0.30 0.54 -0.54 0.00 0.00 175.26 175.60 1bsh s VAL 71 N 0.67 5.31 0.33 3.70 0.11 -0.94 -1.84 120.40 127.73 1bsh s VAL 71 Ca -0.05 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1bsh s VAL 71 Cb -0.08 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 1bsh s VAL 71 CO -0.02 -0.14 0.14 0.00 -3.33 0.00 0.00 175.10 171.74 1bsh n GLN 72 N -0.72 0.60 -2.55 1.54 6.02 0.48 -4.89 117.38 117.86 1bsh n GLN 72 Ca -0.07 -2.82 -0.41 0.00 -0.01 0.00 0.00 57.00 53.69 1bsh n GLN 72 Cb 0.55 1.65 -0.03 0.00 1.02 0.00 0.00 30.24 33.42 1bsh n GLN 72 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1bsh s PRO 73 N -3.25 3.45 0.00 -1.09 0.04 -1.26 -3.66 135.00 129.23 1bsh s PRO 73 Ca 0.19 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1bsh s PRO 73 Cb 0.01 -4.97 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1bsh s PRO 73 CO 0.14 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1bsh n GLY 74 N 6.39 2.54 3.35 0.56 0.00 -1.26 -5.00 105.19 111.77 1bsh n GLY 74 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 1bsh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bsh s ASN 75 N -2.03 2.54 0.07 1.61 0.01 -1.24 -2.47 114.94 113.42 1bsh s ASN 75 Ca 0.00 -1.05 0.03 0.00 -0.71 0.00 0.00 52.86 51.13 1bsh s ASN 75 Cb 0.00 -0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.50 1bsh s ASN 75 CO 0.00 -0.21 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.61 1bsh s VAL 76 N -3.01 0.70 -0.27 1.60 1.01 -0.49 -0.39 120.40 119.55 1bsh s VAL 76 Ca 0.23 -1.40 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 1bsh s VAL 76 Cb 0.00 -1.03 0.09 0.00 0.00 0.00 0.00 36.38 35.44 1bsh s VAL 76 CO 0.07 -0.52 0.64 -0.89 0.00 0.00 0.00 175.10 174.41 1bsh s THR 77 N -2.09 -0.23 -0.03 3.92 2.01 -0.77 0.23 115.64 118.68 1bsh s THR 77 Ca -0.01 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1bsh s THR 77 Cb -0.05 -0.94 0.03 0.00 0.01 0.00 0.00 72.50 71.55 1bsh s THR 77 CO -0.01 0.01 0.05 0.54 -0.69 0.00 0.00 174.62 174.52 1bsh s VAL 78 N 1.91 -0.08 -0.17 3.82 0.11 -0.79 -1.56 120.40 123.63 1bsh s VAL 78 Ca -0.09 0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1bsh s VAL 78 Cb -0.07 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 1bsh s VAL 78 CO -0.19 0.12 0.08 -0.76 -3.33 0.00 0.00 175.10 171.02 1bsh s LEU 79 N 1.50 3.92 0.00 2.54 1.02 -1.00 -1.77 118.68 124.88 1bsh s LEU 79 Ca -0.04 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1bsh s LEU 79 Cb -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.10 1bsh s LEU 79 CO -0.03 0.21 0.00 0.00 0.02 0.00 0.00 176.35 176.55 1bsh n ALA 80 N 3.30 0.00 -1.56 4.21 0.00 -0.55 -1.88 120.51 124.02 1bsh n ALA 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1bsh n ALA 80 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1bsh n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bsh n ASP 81 N 0.00 0.00 -3.74 0.00 -0.08 -1.25 -2.49 116.55 108.99 1bsh n ASP 81 Ca 0.00 -1.27 -0.12 0.00 -1.51 0.00 0.00 54.79 51.89 1bsh n ASP 81 Cb 0.00 -0.05 -0.11 0.00 2.34 0.00 0.00 41.12 43.29 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1bsh s THR 82 N 0.00 -0.01 -0.23 5.18 2.01 -1.26 -4.48 115.64 116.85 1bsh s THR 82 Ca 0.00 0.05 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 1bsh s THR 82 Cb 0.00 -0.47 0.10 0.00 0.01 0.00 0.00 72.50 72.14 1bsh s THR 82 CO 0.00 0.02 0.22 0.00 -0.69 0.00 0.00 174.62 174.17 1bsh s ALA 83 N 0.65 -0.19 -0.09 7.40 0.00 -1.26 -3.89 121.76 124.37 1bsh s ALA 83 Ca -0.04 -0.01 0.09 0.00 0.00 0.00 0.00 51.96 52.00 1bsh s ALA 83 Cb -0.05 -1.41 -0.12 0.00 0.00 0.00 0.00 23.12 21.53 1bsh s ALA 83 CO -0.04 -1.35 0.04 -0.89 0.00 0.00 0.00 175.76 173.52 1bsh n ILE 84 N 5.31 0.66 -1.32 0.00 5.41 -1.16 -5.03 119.36 123.22 1bsh n ILE 84 Ca -0.05 -0.42 0.11 0.00 1.00 0.00 0.00 62.75 63.39 1bsh n ILE 84 Cb 0.48 -0.70 -0.06 0.00 -0.71 0.00 0.00 39.64 38.65 1bsh n ILE 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1bsh n ARG 85 N -2.35 -3.19 0.04 0.38 1.74 -1.24 -1.52 116.66 110.52 1bsh n ARG 85 Ca -0.16 2.57 0.07 0.00 -0.77 0.00 0.00 57.85 59.56 1bsh n ARG 85 Cb 0.80 -3.51 0.31 0.00 -1.02 0.00 0.00 32.46 29.05 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bsh n GLY 86 N -3.59 -0.94 0.11 -0.13 0.00 -1.26 -2.83 105.19 96.55 1bsh n GLY 86 Ca -0.06 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.74 0.56 -4.22 1.61 6.02 -1.26 -3.52 117.38 114.83 1bsh n GLN 87 Ca 0.02 0.54 -0.32 0.00 -0.01 0.00 0.00 57.00 57.24 1bsh n GLN 87 Cb 0.13 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.61 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1bsh n ASP 88 N -4.42 -0.49 0.00 1.08 2.03 -0.57 -4.02 116.55 110.16 1bsh n ASP 88 Ca -0.34 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 53.82 1bsh n ASP 88 Cb 0.70 -2.22 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bsh n LEU 89 N -4.43 0.00 0.00 -2.67 4.77 -1.26 -4.53 117.00 108.88 1bsh n LEU 89 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1bsh n LEU 89 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1bsh n LEU 89 CO 0.84 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.37 1bsh n ASP 90 N 2.21 -1.17 0.02 -1.43 8.00 -1.26 -5.01 116.55 117.91 1bsh n ASP 90 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1bsh n ASP 90 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bsh n GLU 91 N -1.17 0.00 0.22 -1.24 1.02 -1.26 -4.89 120.64 113.32 1bsh n GLU 91 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1bsh n GLU 91 Cb 0.00 0.00 0.60 0.00 -0.02 0.00 0.00 31.44 32.02 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 0.00 1.00 0.00 0.62 0.00 -1.97 -2.61 119.26 116.30 1bsh h ALA 92 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bsh h ALA 92 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 92 CO 0.00 0.00 -0.07 -0.09 0.00 0.00 0.00 179.25 179.09 1bsh h ARG 93 N 0.00 0.00 0.00 0.00 9.65 -1.99 -1.96 114.38 120.08 1bsh h ARG 93 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1bsh h ARG 93 Cb 0.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 1bsh h ARG 93 CO 0.00 0.07 -1.02 0.00 2.80 0.00 0.00 179.97 181.82 1bsh n ALA 94 N -2.17 2.59 0.10 2.80 0.00 -0.98 -3.88 120.51 118.96 1bsh n ALA 94 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 53.44 53.15 1bsh n ALA 94 Cb 0.26 -1.09 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.41 -3.03 114.93 113.34 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 0.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1bsh h MET 95 CO 0.00 0.80 -0.01 -1.91 1.06 0.00 0.00 176.91 176.85 1bsh n GLU 96 N -3.45 0.81 0.07 1.72 2.13 -1.07 -3.42 120.64 117.44 1bsh n GLU 96 Ca 0.00 -0.06 -0.18 0.00 0.66 0.00 0.00 57.16 57.58 1bsh n GLU 96 Cb 0.81 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.88 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bsh h ALA 97 N 3.79 0.23 -0.70 4.31 0.00 -1.67 -3.16 119.26 122.07 1bsh h ALA 97 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 54.91 53.86 1bsh h ALA 97 Cb 0.14 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1bsh h ALA 97 CO 0.00 1.10 0.46 -0.22 0.00 0.00 0.00 179.25 180.59 1bsh h LYS 98 N 0.08 0.79 -0.00 0.00 3.64 -1.68 0.13 116.57 119.52 1bsh h LYS 98 Ca -0.25 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.90 1bsh h LYS 98 Cb 2.03 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.66 1bsh h LYS 98 CO 0.17 0.52 -0.83 -0.09 -2.27 0.00 0.00 179.45 176.95 1bsh h ARG 99 N 0.81 0.14 -0.18 1.90 2.43 -1.73 -3.03 114.38 114.72 1bsh h ARG 99 Ca 0.28 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1bsh h ARG 99 Cb 0.10 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1bsh h ARG 99 CO -0.08 0.89 0.00 1.63 -1.51 0.00 0.00 179.97 180.90 1bsh n LYS 100 N -3.65 1.76 0.00 0.20 5.02 -0.57 -3.69 118.16 117.23 1bsh n LYS 100 Ca -0.03 -1.15 0.13 0.00 -2.02 0.00 0.00 58.31 55.25 1bsh n LYS 100 Cb 0.78 -1.39 0.41 0.00 -0.02 0.00 0.00 35.03 34.81 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 101 N 0.37 2.99 -0.08 7.82 0.00 0.33 -4.05 120.51 127.90 1bsh n ALA 101 Ca 0.16 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.99 1bsh n ALA 101 Cb 0.34 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.51 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 1.28 0.06 0.00 0.00 4.57 -1.72 -3.28 114.58 115.49 1bsh h GLU 102 Ca 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1bsh h GLU 102 Cb 0.49 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1bsh h GLU 102 CO 0.00 1.05 0.00 0.93 -1.18 0.00 0.00 179.01 179.81 1bsh h GLU 103 N -0.77 0.00 0.00 1.92 5.08 -1.79 -1.23 114.58 117.80 1bsh h GLU 103 Ca -0.35 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.74 1bsh h GLU 103 Cb 1.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1bsh h GLU 103 CO -0.14 0.00 -1.48 1.25 -1.00 0.00 0.00 179.01 177.65 1bsh h HIS 104 N 0.00 0.01 -0.36 4.33 2.76 -1.70 -3.28 115.15 116.90 1bsh h HIS 104 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1bsh h HIS 104 Cb 0.04 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1bsh h HIS 104 CO 0.00 1.01 0.00 -0.89 -1.30 0.00 0.00 177.93 176.75 1bsh n ILE 105 N -3.15 0.56 -0.46 6.26 5.41 -0.49 -4.07 119.36 123.43 1bsh n ILE 105 Ca -0.11 -0.51 -0.16 0.00 1.00 0.00 0.00 62.75 62.97 1bsh n ILE 105 Cb 1.02 0.20 0.11 0.00 -0.71 0.00 0.00 39.64 40.25 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1bsh n SER 106 N 0.56 3.77 -4.15 4.38 3.41 -1.07 -4.88 113.62 115.64 1bsh n SER 106 Ca 0.12 -3.04 -0.16 0.00 -0.26 0.00 0.00 58.87 55.54 1bsh n SER 106 Cb 0.34 -0.74 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 1bsh n SER 106 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bsh s SER 107 N -0.44 1.44 -0.03 4.04 0.15 -1.26 -5.10 113.70 112.49 1bsh s SER 107 Ca 0.36 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1bsh s SER 107 Cb 0.30 -0.01 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1bsh s SER 107 CO 0.06 -0.17 0.01 -0.94 1.20 0.00 0.00 173.24 173.40 1bsh s SER 108 N -1.98 0.36 0.00 5.45 1.04 -1.26 -4.85 113.70 112.47 1bsh s SER 108 Ca -0.01 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1bsh s SER 108 Cb -0.07 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.87 1bsh s SER 108 CO 0.01 -0.11 0.00 1.57 0.98 0.00 0.00 173.24 175.69 1bsh n HIS 109 N 4.19 0.00 0.00 5.02 -0.00 -1.26 -5.11 115.22 118.06 1bsh n HIS 109 Ca -0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.92 1bsh n HIS 109 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 110 N 0.00 4.24 0.08 1.57 0.00 -1.26 -4.79 105.19 105.02 1bsh n GLY 110 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 1bsh n GLY 110 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1bsh h ASP 111 N 0.00 -0.04 -0.50 1.61 3.32 -2.03 -3.31 116.42 115.47 1bsh h ASP 111 Ca 0.00 -0.62 -0.16 0.00 0.02 0.00 0.00 57.03 56.26 1bsh h ASP 111 Cb 0.00 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.46 1bsh h ASP 111 CO 0.00 0.64 0.12 1.33 -1.72 0.00 0.00 179.24 179.60 1bsh n VAL 112 N -4.79 2.65 0.00 -1.35 0.24 -1.26 -4.40 118.33 109.43 1bsh n VAL 112 Ca -0.09 -2.06 0.00 0.00 -2.04 0.00 0.00 64.34 60.15 1bsh n VAL 112 Cb 0.33 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -0.63 0.00 0.20 -1.34 2.03 -1.25 -3.84 116.55 111.72 1bsh n ASP 113 Ca 0.34 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.73 1bsh n ASP 113 Cb 1.16 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.93 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 -0.34 -0.67 -0.00 -1.87 -2.65 116.97 111.43 1bsh h TYR 114 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.83 1bsh h TYR 114 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1bsh h TYR 114 CO 0.00 0.31 0.33 0.00 -0.00 0.00 0.00 178.16 178.80 1bsh h ALA 115 N 1.69 2.08 0.02 0.10 0.00 -1.79 0.10 119.26 121.46 1bsh h ALA 115 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1bsh h ALA 115 Cb 0.85 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1bsh h ALA 115 CO 0.04 -0.50 -1.68 1.96 0.00 0.00 0.00 179.25 179.07 1bsh h GLN 116 N 0.00 0.05 0.00 0.00 1.08 -1.58 -3.31 115.11 111.35 1bsh h GLN 116 Ca 0.16 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1bsh h GLN 116 Cb 0.81 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1bsh h GLN 116 CO -0.00 0.66 0.00 0.00 -0.95 0.00 0.00 178.83 178.53 1bsh h ALA 117 N 0.85 1.00 -0.10 3.87 0.00 -0.83 -2.51 119.26 121.54 1bsh h ALA 117 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1bsh h ALA 117 Cb 2.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1bsh h ALA 117 CO 0.09 0.00 -0.34 0.66 0.00 0.00 0.00 179.25 179.66 1bsh h SER 118 N 0.00 0.21 1.25 0.00 4.64 -1.39 -2.07 113.55 116.18 1bsh h SER 118 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1bsh h SER 118 Cb 0.40 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1bsh h SER 118 CO 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 176.83 176.51 1bsh n ALA 119 N -2.48 2.10 0.06 5.18 0.00 -0.95 -2.00 120.51 122.42 1bsh n ALA 119 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1bsh n ALA 119 Cb 0.42 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 1bsh n ALA 119 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bsh h GLU 120 N 0.00 0.00 0.12 0.00 4.39 -1.44 -3.12 114.58 114.54 1bsh h GLU 120 Ca 0.00 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.34 1bsh h GLU 120 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1bsh h GLU 120 CO 0.00 0.79 -1.99 1.28 -1.16 0.00 0.00 179.01 177.93 1bsh n LEU 121 N -3.25 2.61 -0.20 1.33 4.77 -1.16 -3.86 117.00 117.23 1bsh n LEU 121 Ca -0.03 0.21 -0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1bsh n LEU 121 Cb 0.92 -1.10 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1bsh n LEU 121 CO 0.45 0.85 1.12 0.00 -1.33 0.00 0.00 177.39 178.48 1bsh h ALA 122 N 0.09 0.75 -0.01 -1.18 0.00 -1.54 -1.04 119.26 116.33 1bsh h ALA 122 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bsh h ALA 122 Cb 2.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1bsh h ALA 122 CO 0.09 0.16 0.01 1.57 0.00 0.00 0.00 179.25 181.09 1bsh h LYS 123 N 0.78 0.00 -0.02 0.00 2.10 -1.71 -0.41 116.57 117.31 1bsh h LYS 123 Ca 0.22 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.79 1bsh h LYS 123 Cb -0.07 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1bsh h LYS 123 CO -0.06 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.04 1bsh h ALA 124 N 1.99 1.38 0.00 0.07 0.00 -1.29 -1.65 119.26 119.76 1bsh h ALA 124 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bsh h ALA 124 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bsh h ALA 124 CO -0.00 0.46 0.00 -0.89 0.00 0.00 0.00 179.25 178.82 1bsh n ILE 125 N -4.11 0.73 -0.00 0.00 -0.00 -0.16 -2.38 119.36 113.43 1bsh n ILE 125 Ca -0.02 0.18 -0.10 0.00 -0.00 0.00 0.00 62.75 62.81 1bsh n ILE 125 Cb 0.40 -0.91 -0.14 0.00 -0.00 0.00 0.00 39.64 38.99 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 2.65 0.64 0.00 -1.39 0.00 -1.34 -3.30 119.26 116.52 1bsh h ALA 126 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1bsh h ALA 126 Cb 0.22 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bsh h ALA 126 CO 0.00 1.48 0.00 0.00 0.00 0.00 0.00 179.25 180.73 1bsh n GLN 127 N -3.16 0.18 0.22 0.00 -0.00 -1.00 -2.89 117.38 110.73 1bsh n GLN 127 Ca -0.16 0.19 0.14 0.00 -0.00 0.00 0.00 57.00 57.16 1bsh n GLN 127 Cb 1.03 -1.73 0.35 0.00 -0.00 0.00 0.00 30.24 29.90 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 0.00 0.00 0.00 2.61 6.46 -1.62 -2.68 115.31 120.08 1bsh h LEU 128 Ca 0.00 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.57 1bsh h LEU 128 Cb 0.62 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1bsh h LEU 128 CO 0.00 0.00 -0.99 0.03 -0.62 0.00 0.00 178.44 176.86 1bsh h ARG 129 N 0.00 0.00 0.00 1.25 3.08 -1.68 -3.26 114.38 113.77 1bsh h ARG 129 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1bsh h ARG 129 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1bsh h ARG 129 CO 0.00 0.73 -1.24 -0.39 -1.07 0.00 0.00 179.97 178.00 1bsh h VAL 130 N 0.00 0.94 0.00 2.04 -1.51 -1.65 -3.31 116.25 112.75 1bsh h VAL 130 Ca -0.06 -2.56 -0.09 0.00 -1.23 0.00 0.00 66.70 62.76 1bsh h VAL 130 Cb 1.68 2.40 -0.01 0.00 -2.13 0.00 0.00 31.29 33.22 1bsh h VAL 130 CO 0.10 0.53 -0.42 -0.29 -1.23 0.00 0.00 177.57 176.26 1bsh h ILE 131 N 0.00 1.20 0.00 7.19 2.10 -1.52 -2.28 117.51 124.20 1bsh h ILE 131 Ca -0.14 -1.51 0.00 0.00 1.08 0.00 0.00 64.86 64.30 1bsh h ILE 131 Cb 1.72 1.84 0.00 0.00 -1.09 0.00 0.00 36.82 39.28 1bsh h ILE 131 CO 0.08 0.42 0.00 -0.33 -1.08 0.00 0.00 178.15 177.23 1bsh h GLU 132 N 0.00 0.00 0.11 2.19 4.39 -1.65 -2.66 114.58 116.97 1bsh h GLU 132 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 1bsh h GLU 132 Cb 0.80 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1bsh h GLU 132 CO 0.06 0.00 -1.94 1.28 -1.16 0.00 0.00 179.01 177.25 1bsh n LEU 133 N -2.40 2.57 0.00 1.33 4.32 -0.87 -3.88 117.00 118.08 1bsh n LEU 133 Ca 0.00 0.23 0.09 0.00 -0.02 0.00 0.00 56.01 56.31 1bsh n LEU 133 Cb 0.15 -1.11 0.51 0.00 -1.62 0.00 0.00 43.42 41.35 1bsh n LEU 133 CO 0.17 0.80 0.77 0.35 -1.22 0.00 0.00 177.39 178.26 1bsh n THR 134 N -3.57 0.25 0.19 -5.08 -2.24 -1.03 -2.53 114.28 100.27 1bsh n THR 134 Ca -0.32 0.06 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1bsh n THR 134 Cb 1.01 -0.76 0.22 0.00 -2.10 0.00 0.00 70.33 68.70 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bsh h LYS 135 N 0.00 0.00 -0.77 -0.78 5.09 -1.61 -3.25 116.57 115.26 1bsh h LYS 135 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 60.20 1bsh h LYS 135 Cb 0.09 0.00 -0.43 0.00 0.10 0.00 0.00 32.23 31.99 1bsh h LYS 135 CO 0.00 0.29 -0.83 1.17 -2.09 0.00 0.00 179.45 177.99 1bsh n LYS 136 N -3.25 3.52 -0.01 0.07 4.81 -1.05 -4.65 118.16 117.60 1bsh n LYS 136 Ca 0.02 -4.15 0.06 0.00 -0.87 0.00 0.00 58.31 53.37 1bsh n LYS 136 Cb 0.58 -2.24 -0.10 0.00 0.02 0.00 0.00 35.03 33.28 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh n ALA 137 N -0.69 2.62 0.89 3.14 0.00 -1.23 -5.12 120.51 120.12 1bsh n ALA 137 Ca 0.42 -0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1bsh n ALA 137 Cb 0.95 -0.45 0.42 0.00 0.00 0.00 0.00 19.45 20.37 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38