#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh n MET 2 N 0.00 0.93 -1.63 0.00 0.00 -1.26 -5.02 117.12 110.14 1bsh n MET 2 Ca 0.00 -2.16 -0.61 0.00 -0.00 0.00 0.00 57.70 54.93 1bsh n MET 2 Cb 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 33.22 31.88 1bsh n MET 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1bsh n THR 3 N 0.78 0.05 -4.06 1.12 -2.24 -1.26 -4.53 114.28 104.13 1bsh n THR 3 Ca 0.10 -0.01 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1bsh n THR 3 Cb 0.66 -0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 3.12 -0.00 -4.34 4.78 0.18 0.18 -4.89 117.16 116.19 1bsh n TYR 4 Ca 0.25 -0.43 -0.31 0.00 1.88 0.00 0.00 57.90 59.29 1bsh n TYR 4 Cb 0.06 -0.06 -0.10 0.00 -0.38 0.00 0.00 39.34 38.85 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bsh s HIS 5 N -1.20 2.81 0.12 -3.48 5.65 -0.99 -0.18 115.29 118.02 1bsh s HIS 5 Ca 0.01 -0.11 0.01 0.00 0.25 0.00 0.00 55.06 55.22 1bsh s HIS 5 Cb -0.00 -1.51 -0.04 0.00 -1.18 0.00 0.00 32.58 29.85 1bsh s HIS 5 CO 0.00 0.40 -0.01 -0.48 -0.65 0.00 0.00 174.74 174.00 1bsh s LEU 6 N -1.87 2.20 -0.32 8.88 0.05 -0.92 0.00 118.68 126.70 1bsh s LEU 6 Ca 0.20 -1.11 0.04 0.00 0.05 0.00 0.00 54.13 53.31 1bsh s LEU 6 Cb -0.11 0.06 0.17 0.00 -2.05 0.00 0.00 46.19 44.26 1bsh s LEU 6 CO 0.11 -0.58 0.48 -0.62 -0.55 0.00 0.00 176.35 175.19 1bsh s ASP 7 N -3.07 -0.28 -0.31 1.48 -1.08 0.11 -2.23 116.67 111.30 1bsh s ASP 7 Ca 0.18 -0.50 -0.06 0.00 -0.52 0.00 0.00 52.55 51.66 1bsh s ASP 7 Cb 0.06 1.38 0.03 0.00 -1.46 0.00 0.00 42.92 42.93 1bsh s ASP 7 CO -0.01 -0.30 0.08 0.54 0.52 0.00 0.00 175.17 176.00 1bsh s VAL 8 N 2.33 3.76 0.34 1.11 0.11 -0.21 -1.65 120.40 126.19 1bsh s VAL 8 Ca 0.12 -0.96 0.07 0.00 -2.93 0.00 0.00 61.98 58.27 1bsh s VAL 8 Cb -0.11 -3.04 -0.07 0.00 -1.53 0.00 0.00 36.38 31.64 1bsh s VAL 8 CO -0.22 -0.05 -0.02 0.68 -3.33 0.00 0.00 175.10 172.17 1bsh s VAL 9 N 1.43 1.76 -0.30 2.04 -7.23 -1.09 -3.55 120.40 113.46 1bsh s VAL 9 Ca -0.00 -2.07 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 1bsh s VAL 9 Cb -0.18 -2.73 0.18 0.00 0.56 0.00 0.00 36.38 34.21 1bsh s VAL 9 CO 0.02 -0.12 1.17 -0.94 -0.31 0.00 0.00 175.10 174.92 1bsh s SER 10 N -3.57 -0.05 0.01 4.85 1.04 -1.26 -2.72 113.70 112.00 1bsh s SER 10 Ca 0.33 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.76 1bsh s SER 10 Cb 0.07 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1bsh s SER 10 CO 0.15 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.37 1bsh n ALA 11 N 4.45 -2.31 -2.70 5.32 0.00 -1.26 -4.47 120.51 119.55 1bsh n ALA 11 Ca 0.08 0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 1bsh n ALA 11 Cb 0.61 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1bsh n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bsh n GLU 12 N 1.31 -2.06 -1.40 0.00 -0.58 -1.26 -4.70 120.64 111.95 1bsh n GLU 12 Ca -0.00 1.91 -0.58 0.00 -0.42 0.00 0.00 57.16 58.06 1bsh n GLU 12 Cb 0.00 -5.20 -0.10 0.00 -0.57 0.00 0.00 31.44 25.58 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bsh n GLN 13 N -0.39 0.41 -2.68 3.49 3.00 -1.26 -4.71 117.38 115.24 1bsh n GLN 13 Ca 0.10 0.12 -0.05 0.00 -0.01 0.00 0.00 57.00 57.16 1bsh n GLN 13 Cb 0.41 -1.82 0.06 0.00 0.00 0.00 0.00 30.24 28.88 1bsh n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1bsh n GLN 14 N 7.14 0.48 0.00 -1.09 -0.00 -1.26 -5.07 117.38 117.58 1bsh n GLN 14 Ca 0.46 -1.08 0.00 0.00 -0.00 0.00 0.00 57.00 56.38 1bsh n GLN 14 Cb 0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 30.24 30.12 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1bsh n MET 15 N -0.18 0.00 -3.73 2.61 2.81 -1.26 -5.00 117.12 112.36 1bsh n MET 15 Ca -0.13 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.59 1bsh n MET 15 Cb 0.72 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 33.06 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 0.00 0.05 -0.49 2.03 5.36 -1.23 -5.05 117.98 118.64 1bsh s PHE 16 Ca 0.00 0.18 0.07 0.00 -0.96 0.00 0.00 56.93 56.22 1bsh s PHE 16 Cb 0.00 -0.34 0.19 0.00 -0.34 0.00 0.00 43.02 42.53 1bsh s PHE 16 CO 0.00 -0.13 0.70 -1.54 -1.46 0.00 0.00 175.22 172.79 1bsh s SER 17 N 1.51 -1.42 0.00 6.13 1.04 -1.26 -1.05 113.70 118.66 1bsh s SER 17 Ca -0.03 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.85 1bsh s SER 17 Cb -0.13 1.88 0.00 0.00 0.10 0.00 0.00 66.02 67.87 1bsh s SER 17 CO -0.03 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1bsh n GLY 18 N 3.27 -0.92 3.77 7.32 0.00 -0.95 -4.99 105.19 112.69 1bsh n GLY 18 Ca 0.17 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 3.07 -0.12 0.99 1.43 -1.26 -2.16 118.68 120.63 1bsh s LEU 19 Ca 0.00 1.83 -0.33 0.00 -1.03 0.00 0.00 54.13 54.60 1bsh s LEU 19 Cb 0.00 -4.52 0.13 0.00 0.03 0.00 0.00 46.19 41.83 1bsh s LEU 19 CO 0.00 -1.97 1.27 0.54 0.23 0.00 0.00 176.35 176.41 1bsh s VAL 20 N -2.85 0.00 0.20 -1.59 0.11 0.74 -3.74 120.40 113.27 1bsh s VAL 20 Ca 0.62 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 1bsh s VAL 20 Cb -0.17 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1bsh s VAL 20 CO 0.54 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.52 1bsh n GLU 21 N -0.28 0.00 -3.83 1.54 2.13 -0.88 0.47 120.64 119.79 1bsh n GLU 21 Ca -0.04 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.50 1bsh n GLU 21 Cb 0.60 -0.02 -0.16 0.00 0.27 0.00 0.00 31.44 32.13 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 1.11 0.00 5.31 1.02 -1.12 -3.96 119.74 120.10 1bsh s LYS 22 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1bsh s LYS 22 Cb 0.00 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 1bsh s LYS 22 CO 0.00 -0.58 0.00 0.44 -0.92 0.00 0.00 175.35 174.29 1bsh n ILE 23 N 4.89 0.00 -3.50 2.17 -5.35 -1.01 -0.45 119.36 116.12 1bsh n ILE 23 Ca -0.10 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 1bsh n ILE 23 Cb 0.46 -1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 37.30 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1bsh s GLN 24 N 1.69 0.86 -0.24 6.28 0.74 0.01 -3.51 119.66 125.48 1bsh s GLN 24 Ca 0.00 -0.27 -0.06 0.00 0.05 0.00 0.00 55.36 55.08 1bsh s GLN 24 Cb 0.00 0.40 0.12 0.00 1.10 0.00 0.00 33.01 34.63 1bsh s GLN 24 CO 0.00 -0.37 0.48 0.08 -0.55 0.00 0.00 175.29 174.93 1bsh s VAL 25 N -2.99 -0.75 -0.32 1.34 1.01 -1.24 -2.65 120.40 114.79 1bsh s VAL 25 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1bsh s VAL 25 Cb -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.60 1bsh s VAL 25 CO -0.08 0.00 0.06 -0.89 0.00 0.00 0.00 175.10 174.19 1bsh s THR 26 N 2.69 3.49 -0.35 3.92 2.01 -0.72 -2.92 115.64 123.75 1bsh s THR 26 Ca 0.04 -1.18 0.13 0.00 0.31 0.00 0.00 61.69 60.99 1bsh s THR 26 Cb -0.13 -2.96 0.42 0.00 0.01 0.00 0.00 72.50 69.84 1bsh s THR 26 CO -0.16 -0.12 1.33 0.61 -0.69 0.00 0.00 174.62 175.60 1bsh n GLY 27 N 4.75 1.64 1.36 4.40 0.00 -1.24 -2.84 105.19 113.25 1bsh n GLY 27 Ca -0.13 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.83 -7.79 -3.84 1.61 7.64 -1.26 -4.79 113.62 104.37 1bsh n SER 28 Ca -0.05 0.96 -0.27 0.00 1.01 0.00 0.00 58.87 60.52 1bsh n SER 28 Cb 0.85 -4.42 0.03 0.00 -1.01 0.00 0.00 64.21 59.66 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 -4.09 -5.41 0.00 1.43 1.02 -1.26 -4.68 120.64 107.65 1bsh n GLU 29 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1bsh n GLU 29 Cb 0.66 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsh n GLY 30 N -1.68 2.16 2.72 0.62 0.00 -1.26 -5.02 105.19 102.73 1bsh n GLY 30 Ca -0.07 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bsh n GLU 31 N 0.50 0.67 -4.25 1.61 0.28 -1.26 -3.94 120.64 114.26 1bsh n GLU 31 Ca 0.00 -1.50 -0.18 0.00 -0.16 0.00 0.00 57.16 55.31 1bsh n GLU 31 Cb 0.00 -0.99 -0.13 0.00 1.43 0.00 0.00 31.44 31.75 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bsh s LEU 32 N -1.11 2.21 0.00 -1.84 1.43 -1.15 -4.60 118.68 113.62 1bsh s LEU 32 Ca 0.27 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1bsh s LEU 32 Cb 0.25 -0.51 0.00 0.00 0.03 0.00 0.00 46.19 45.96 1bsh s LEU 32 CO -0.16 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.00 1bsh n GLY 33 N 1.69 0.03 3.32 -3.19 0.00 -1.24 -3.68 105.19 102.11 1bsh n GLY 33 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 1.27 0.07 0.31 -0.61 -1.09 -1.23 -4.80 121.20 115.12 1bsh s ILE 34 Ca 0.00 -0.55 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 1bsh s ILE 34 Cb 0.00 -1.13 0.01 0.00 -1.58 0.00 0.00 42.46 39.76 1bsh s ILE 34 CO 0.00 -0.30 0.52 -0.72 -1.23 0.00 0.00 174.94 173.20 1bsh s TYR 35 N -3.58 0.63 -1.20 3.97 1.13 -1.25 -2.41 117.35 114.64 1bsh s TYR 35 Ca 0.02 -0.98 -0.20 0.00 -1.41 0.00 0.00 57.07 54.50 1bsh s TYR 35 Cb 0.01 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1bsh s TYR 35 CO -0.10 -1.13 1.91 -0.35 -2.51 0.00 0.00 175.55 173.36 1bsh n PRO 36 N -0.48 2.31 0.00 -3.49 -0.04 -1.26 -3.45 135.00 128.60 1bsh n PRO 36 Ca -0.01 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 1bsh n PRO 36 Cb 0.61 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 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 5.20 0.12 0.56 0.55 0.00 -1.26 -4.47 105.19 105.89 1bsh n GLY 37 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.56 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 0.14 -1.01 1.61 -0.00 -1.22 -5.10 115.22 109.64 1bsh n HIS 38 Ca 0.00 -0.13 0.07 0.00 0.46 0.00 0.00 57.72 58.12 1bsh n HIS 38 Cb 0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.69 -2.11 -2.48 1.57 0.00 -1.26 -4.55 120.51 112.38 1bsh n ALA 39 Ca 0.09 0.51 -0.39 0.00 0.00 0.00 0.00 53.44 53.65 1bsh n ALA 39 Cb 0.35 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1bsh n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bsh s PRO 40 N -4.35 3.50 -0.11 0.00 0.04 -1.26 -4.87 135.00 127.95 1bsh s PRO 40 Ca 0.00 -1.19 -0.08 0.00 0.04 0.00 0.00 61.00 59.76 1bsh s PRO 40 Cb 0.00 -5.35 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 1bsh s PRO 40 CO 0.00 -2.43 0.18 -0.51 0.04 0.00 0.00 177.00 174.27 1bsh s LEU 41 N 5.70 4.38 -0.58 -3.56 1.43 -1.26 -4.98 118.68 119.80 1bsh s LEU 41 Ca 0.51 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1bsh s LEU 41 Cb -0.00 -2.15 0.14 0.00 0.03 0.00 0.00 46.19 44.22 1bsh s LEU 41 CO -0.04 0.37 0.34 -0.76 0.23 0.00 0.00 176.35 176.48 1bsh s LEU 42 N -0.85 4.49 0.00 1.79 1.43 -1.26 -2.95 118.68 121.33 1bsh s LEU 42 Ca 0.15 -3.28 0.00 0.00 -1.03 0.00 0.00 54.13 49.97 1bsh s LEU 42 Cb -0.13 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1bsh s LEU 42 CO 0.05 -0.19 0.00 0.35 0.23 0.00 0.00 176.35 176.79 1bsh n THR 43 N 2.75 0.00 -3.04 5.49 -2.24 -1.13 -5.05 114.28 111.05 1bsh n THR 43 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 1bsh n THR 43 Cb 0.33 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.58 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 4.55 0.42 6.98 0.00 -1.26 -2.18 121.76 128.26 1bsh s ALA 44 Ca 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 51.96 50.27 1bsh s ALA 44 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1bsh s ALA 44 CO 0.00 -0.39 0.56 -1.50 0.00 0.00 0.00 175.76 174.43 1bsh s ILE 45 N -2.42 3.02 -0.00 0.00 2.07 -0.89 -3.79 121.20 119.19 1bsh s ILE 45 Ca 0.56 -1.01 0.06 0.00 -1.41 0.00 0.00 60.65 58.84 1bsh s ILE 45 Cb -0.09 -3.01 -0.03 0.00 0.13 0.00 0.00 42.46 39.46 1bsh s ILE 45 CO 0.34 -0.01 -0.17 -0.54 -1.91 0.00 0.00 174.94 172.66 1bsh s LYS 46 N -4.34 2.27 0.37 3.50 -0.14 -1.26 -4.71 119.74 115.43 1bsh s LYS 46 Ca 0.54 -0.85 -0.24 0.00 -1.36 0.00 0.00 55.97 54.06 1bsh s LYS 46 Cb -0.10 -2.26 -0.10 0.00 -1.68 0.00 0.00 37.83 33.69 1bsh s LYS 46 CO 0.33 0.58 0.98 -1.25 -0.76 0.00 0.00 175.35 175.23 1bsh s PRO 47 N -1.06 4.38 0.00 -1.68 0.04 -1.26 -4.79 135.00 130.63 1bsh s PRO 47 Ca 0.13 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1bsh s PRO 47 Cb -0.11 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1bsh s PRO 47 CO 0.03 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1bsh n GLY 48 N 0.24 0.41 4.00 0.56 0.00 -1.10 -3.70 105.19 105.61 1bsh n GLY 48 Ca 0.04 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 2.53 0.01 1.61 0.23 -1.13 -2.83 119.30 117.72 1bsh s MET 49 Ca 0.00 -1.50 -0.13 0.00 -1.03 0.00 0.00 55.69 53.03 1bsh s MET 49 Cb 0.00 -2.62 0.02 0.00 -1.53 0.00 0.00 34.83 30.69 1bsh s MET 49 CO 0.00 -0.54 0.27 -1.50 -2.03 0.00 0.00 175.02 171.21 1bsh s ILE 50 N -2.53 0.07 0.43 3.16 2.07 -1.04 -1.75 121.20 121.61 1bsh s ILE 50 Ca 0.56 -0.60 0.05 0.00 -1.41 0.00 0.00 60.65 59.25 1bsh s ILE 50 Cb -0.07 -0.67 -0.06 0.00 0.13 0.00 0.00 42.46 41.79 1bsh s ILE 50 CO 0.34 -0.33 0.02 -0.60 -1.91 0.00 0.00 174.94 172.46 1bsh s ARG 51 N -1.69 2.00 -0.19 3.50 3.52 -1.08 -1.85 118.95 123.15 1bsh s ARG 51 Ca -0.11 -2.18 -0.28 0.00 -0.13 0.00 0.00 55.73 53.03 1bsh s ARG 51 Cb -0.04 -1.51 0.10 0.00 -1.56 0.00 0.00 34.95 31.94 1bsh s ARG 51 CO 0.02 -0.16 0.86 0.42 -0.81 0.00 0.00 175.30 175.62 1bsh s ILE 52 N -2.82 0.00 -0.10 4.11 1.01 0.26 -0.81 121.20 122.84 1bsh s ILE 52 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 1bsh s ILE 52 Cb 0.07 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.58 1bsh s ILE 52 CO 0.13 0.00 -0.01 -0.69 0.00 0.00 0.00 174.94 174.38 1bsh s VAL 53 N -0.40 0.54 0.00 2.92 1.01 0.41 -2.36 120.40 122.52 1bsh s VAL 53 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1bsh s VAL 53 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1bsh s VAL 53 CO 0.01 0.19 0.00 1.17 0.00 0.00 0.00 175.10 176.47 1bsh n LYS 54 N 5.09 0.00 0.00 2.72 3.00 -1.12 -2.08 118.16 125.77 1bsh n LYS 54 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1bsh n LYS 54 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 0.00 1.64 7.27 -1.25 -2.28 117.38 122.76 1bsh n GLN 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bsh n GLN 55 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 0.00 -2.54 3.69 -0.00 -1.26 -4.64 115.22 110.47 1bsh n HIS 56 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1bsh n HIS 56 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 2.01 -0.90 1.34 1.57 0.00 -0.97 -5.16 105.19 103.08 1bsh n GLY 57 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1bsh n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 58 N -0.16 -0.25 -4.49 1.61 -0.00 -1.24 -5.06 115.22 105.63 1bsh n HIS 58 Ca -0.07 -0.25 -0.23 0.00 -0.00 0.00 0.00 57.72 57.17 1bsh n HIS 58 Cb 0.54 0.11 -0.14 0.00 -0.00 0.00 0.00 29.99 30.50 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1bsh s GLU 59 N -2.01 1.18 0.20 1.57 -1.05 -1.26 -2.80 118.70 114.54 1bsh s GLU 59 Ca 0.10 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 1bsh s GLU 59 Cb -0.00 -1.26 -0.05 0.00 -0.44 0.00 0.00 34.13 32.38 1bsh s GLU 59 CO -0.00 0.32 0.08 -1.21 0.95 0.00 0.00 175.26 175.39 1bsh s GLU 60 N -1.25 1.20 -0.02 -4.83 2.02 -0.99 -4.91 118.70 109.92 1bsh s GLU 60 Ca 0.05 -1.62 0.02 0.00 0.02 0.00 0.00 54.97 53.44 1bsh s GLU 60 Cb -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.11 1bsh s GLU 60 CO 0.02 -0.28 -0.07 -0.59 0.02 0.00 0.00 175.26 174.36 1bsh s PHE 61 N -3.89 0.72 0.00 1.61 -0.12 -1.25 -0.57 117.98 114.48 1bsh s PHE 61 Ca 0.33 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 1bsh s PHE 61 Cb 0.07 -0.53 0.00 0.00 -0.63 0.00 0.00 43.02 41.93 1bsh s PHE 61 CO 0.09 -0.07 0.00 -0.89 -0.05 0.00 0.00 175.22 174.30 1bsh n ILE 62 N 3.28 0.00 -3.62 -4.49 5.41 -0.77 -4.35 119.36 114.81 1bsh n ILE 62 Ca -0.17 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.57 1bsh n ILE 62 Cb 0.55 -0.38 -0.06 0.00 -0.71 0.00 0.00 39.64 39.04 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 1.80 -0.40 0.00 1.39 6.14 -1.26 -2.48 117.35 122.53 1bsh s TYR 63 Ca 0.00 0.80 0.00 0.00 0.64 0.00 0.00 57.07 58.51 1bsh s TYR 63 Cb 0.00 0.24 0.00 0.00 0.42 0.00 0.00 41.96 42.62 1bsh s TYR 63 CO 0.00 -0.20 0.00 1.47 0.64 0.00 0.00 175.55 177.46 1bsh n LEU 64 N 3.60 0.00 -3.64 6.97 -0.00 -1.13 -2.07 117.00 120.73 1bsh n LEU 64 Ca -0.17 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.79 1bsh n LEU 64 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.92 1bsh n LEU 64 CO 0.03 0.00 0.54 -0.44 -0.00 0.00 0.00 177.39 177.52 1bsh s SER 65 N 0.41 -0.68 0.28 1.45 0.01 -1.26 -2.70 113.70 111.21 1bsh s SER 65 Ca 0.00 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1bsh s SER 65 Cb 0.00 1.27 0.00 0.00 0.21 0.00 0.00 66.02 67.50 1bsh s SER 65 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1bsh n GLY 66 N 3.87 -3.02 0.00 3.44 0.00 -1.26 -3.56 105.19 104.66 1bsh n GLY 66 Ca -0.19 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.90 1.39 3.27 -0.02 0.00 -1.26 -3.85 105.19 101.81 1bsh n GLY 67 Ca -0.04 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.25 1.81 -0.14 -0.61 1.01 -0.59 -2.10 121.20 119.34 1bsh s ILE 68 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 1bsh s ILE 68 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1bsh s ILE 68 CO 0.00 0.36 0.01 -0.22 0.00 0.00 0.00 174.94 175.09 1bsh s LEU 69 N -0.94 3.55 -0.17 2.97 0.20 -0.93 -2.65 118.68 120.71 1bsh s LEU 69 Ca 0.09 0.03 -0.02 0.00 0.69 0.00 0.00 54.13 54.91 1bsh s LEU 69 Cb -0.09 -1.86 0.05 0.00 -0.43 0.00 0.00 46.19 43.86 1bsh s LEU 69 CO 0.01 0.23 0.02 -0.70 -0.29 0.00 0.00 176.35 175.62 1bsh s GLU 70 N -0.00 0.69 0.22 1.98 2.12 -1.02 -2.86 118.70 119.83 1bsh s GLU 70 Ca 0.03 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.09 1bsh s GLU 70 Cb -0.13 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 1bsh s GLU 70 CO 0.02 -0.55 0.35 0.54 -0.54 0.00 0.00 175.26 175.07 1bsh s VAL 71 N 1.87 5.27 0.19 3.70 0.11 -1.15 -1.48 120.40 128.91 1bsh s VAL 71 Ca 0.00 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1bsh s VAL 71 Cb -0.16 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 1bsh s VAL 71 CO -0.07 -0.27 0.12 -1.10 -3.33 0.00 0.00 175.10 170.44 1bsh s GLN 72 N -3.78 1.16 -1.31 1.54 1.11 0.17 -4.41 119.66 114.15 1bsh s GLN 72 Ca 0.35 -1.60 -0.17 0.00 0.01 0.00 0.00 55.36 53.94 1bsh s GLN 72 Cb -0.10 0.24 0.01 0.00 -1.01 0.00 0.00 33.01 32.16 1bsh s GLN 72 CO 0.29 -0.37 2.03 -0.35 0.01 0.00 0.00 175.29 176.91 1bsh n PRO 73 N -0.25 2.69 0.00 2.91 -0.04 -1.26 -3.15 135.00 135.90 1bsh n PRO 73 Ca 0.01 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1bsh n PRO 73 Cb 0.66 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 1bsh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 74 N 4.63 1.16 3.66 0.55 0.00 -1.26 -5.11 105.19 108.82 1bsh n GLY 74 Ca 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.46 1bsh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsh s ASN 75 N -0.77 -0.28 -0.10 1.61 2.20 -1.19 -2.34 114.94 114.08 1bsh s ASN 75 Ca 0.00 -0.27 -0.19 0.00 -0.94 0.00 0.00 52.86 51.45 1bsh s ASN 75 Cb 0.00 0.49 0.04 0.00 -2.00 0.00 0.00 41.25 39.79 1bsh s ASN 75 CO 0.00 -0.88 0.47 0.54 -2.94 0.00 0.00 177.10 174.30 1bsh s VAL 76 N -3.35 0.02 0.01 3.54 0.11 0.10 0.44 120.40 121.27 1bsh s VAL 76 Ca 0.09 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1bsh s VAL 76 Cb -0.02 -0.73 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 1bsh s VAL 76 CO -0.02 -0.09 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.74 1bsh s THR 77 N -0.60 0.26 -0.02 5.04 2.01 -0.55 0.10 115.64 121.87 1bsh s THR 77 Ca -0.07 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1bsh s THR 77 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1bsh s THR 77 CO 0.04 -0.05 0.08 0.68 -0.69 0.00 0.00 174.62 174.68 1bsh s VAL 78 N -0.38 0.03 0.07 3.82 -7.23 -0.66 -2.44 120.40 113.61 1bsh s VAL 78 Ca -0.02 -0.27 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 1bsh s VAL 78 Cb -0.03 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.66 1bsh s VAL 78 CO -0.00 -0.15 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.68 1bsh s LEU 79 N -0.45 2.56 0.00 1.32 1.02 -1.08 -2.66 118.68 119.38 1bsh s LEU 79 Ca -0.05 -0.52 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1bsh s LEU 79 Cb -0.03 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1bsh s LEU 79 CO 0.00 0.22 0.12 0.00 0.02 0.00 0.00 176.35 176.71 1bsh n ALA 80 N 1.28 0.31 -0.10 4.21 0.00 -1.10 -1.54 120.51 123.58 1bsh n ALA 80 Ca -0.16 -0.89 -0.19 0.00 0.00 0.00 0.00 53.44 52.20 1bsh n ALA 80 Cb 0.52 0.70 -0.08 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.32 1.78 -3.85 0.00 2.03 -1.23 -4.66 116.55 108.30 1bsh n ASP 81 Ca 0.03 0.14 -0.12 0.00 0.52 0.00 0.00 54.79 55.35 1bsh n ASP 81 Cb 0.27 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.21 1bsh n ASP 81 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1bsh n THR 82 N -3.64 0.00 -2.66 5.18 5.66 -1.25 -4.55 114.28 113.02 1bsh n THR 82 Ca -0.38 -1.23 -0.03 0.00 -3.05 0.00 0.00 64.05 59.36 1bsh n THR 82 Cb 0.81 -0.68 0.05 0.00 -1.55 0.00 0.00 70.33 68.96 1bsh n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n ALA 83 N -2.57 -4.02 -3.40 1.79 0.00 -1.26 -4.42 120.51 106.64 1bsh n ALA 83 Ca -0.09 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.08 1bsh n ALA 83 Cb 0.38 -3.55 -0.03 0.00 0.00 0.00 0.00 19.45 16.25 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 2.21 3.91 -1.29 0.00 -0.00 -0.88 -4.99 119.36 118.32 1bsh n ILE 84 Ca 0.07 -5.38 -0.38 0.00 -0.00 0.00 0.00 62.75 57.07 1bsh n ILE 84 Cb 0.68 -2.35 0.04 0.00 -0.00 0.00 0.00 39.64 38.01 1bsh n ILE 84 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1bsh n ARG 85 N 2.06 0.23 -0.32 0.38 0.63 -1.25 -4.47 116.66 113.91 1bsh n ARG 85 Ca 0.24 0.10 0.15 0.00 -0.92 0.00 0.00 57.85 57.42 1bsh n ARG 85 Cb 0.37 -1.43 0.30 0.00 0.45 0.00 0.00 32.46 32.15 1bsh n ARG 85 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1bsh h GLY 86 N -0.15 1.33 0.00 5.14 0.00 -1.79 -2.36 103.07 105.25 1bsh h GLY 86 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1bsh h GLY 86 CO 0.42 -0.49 0.00 -1.06 0.00 0.00 0.00 176.54 175.41 1bsh n GLN 87 N -5.39 0.00 -3.92 4.80 6.02 -1.26 -4.35 117.38 113.28 1bsh n GLN 87 Ca 0.23 0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 57.18 1bsh n GLN 87 Cb 0.76 -1.20 -0.00 0.00 1.02 0.00 0.00 30.24 30.82 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 -1.31 -4.06 -1.59 1.08 2.03 -0.89 -4.44 116.55 107.38 1bsh n ASP 88 Ca 0.00 -0.78 0.03 0.00 0.52 0.00 0.00 54.79 54.55 1bsh n ASP 88 Cb 0.00 -3.29 -0.02 0.00 -0.72 0.00 0.00 41.12 37.10 1bsh n ASP 88 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1bsh n LEU 89 N -4.37 -1.59 0.00 -2.67 7.94 -1.26 -4.91 117.00 110.14 1bsh n LEU 89 Ca 0.05 2.81 0.00 0.00 -1.11 0.00 0.00 56.01 57.76 1bsh n LEU 89 Cb 0.51 -3.21 0.00 0.00 0.53 0.00 0.00 43.42 41.25 1bsh n LEU 89 CO 0.75 -1.05 0.00 0.47 -1.11 0.00 0.00 177.39 176.44 1bsh n ASP 90 N -2.93 -4.11 0.01 1.96 8.00 -1.26 -4.98 116.55 113.23 1bsh n ASP 90 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1bsh n ASP 90 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1bsh n GLU 91 N -1.08 0.00 0.13 -1.24 0.28 -1.26 -4.92 120.64 112.55 1bsh n GLU 91 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1bsh n GLU 91 Cb 0.00 0.00 0.11 0.00 1.43 0.00 0.00 31.44 32.98 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bsh h ALA 92 N 0.00 0.76 0.00 -1.84 0.00 -1.97 -2.81 119.26 113.39 1bsh h ALA 92 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1bsh h ALA 92 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1bsh h ALA 92 CO 0.00 0.81 0.00 0.54 0.00 0.00 0.00 179.25 180.60 1bsh n ARG 93 N -3.51 0.17 0.08 0.00 1.74 -1.26 -1.76 116.66 112.12 1bsh n ARG 93 Ca -0.00 0.17 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 1bsh n ARG 93 Cb 0.70 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.62 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bsh h ALA 94 N 2.66 0.59 0.00 7.54 0.00 -1.88 -3.32 119.26 124.84 1bsh h ALA 94 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.35 1bsh h ALA 94 Cb 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bsh h ALA 94 CO 0.00 0.38 -1.09 0.52 0.00 0.00 0.00 179.25 179.06 1bsh h MET 95 N 0.00 0.00 -0.18 0.00 2.86 -1.46 -3.25 114.93 112.90 1bsh h MET 95 Ca -0.06 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1bsh h MET 95 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1bsh h MET 95 CO 0.02 0.90 -0.17 1.49 1.06 0.00 0.00 176.91 180.22 1bsh h GLU 96 N 0.00 0.30 0.49 1.72 4.81 -1.64 -1.95 114.58 118.31 1bsh h GLU 96 Ca -0.05 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1bsh h GLU 96 Cb 1.79 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.13 1bsh h GLU 96 CO 0.12 0.46 -0.32 0.00 -0.73 0.00 0.00 179.01 178.55 1bsh h ALA 97 N 1.56 -1.13 -0.21 2.92 0.00 -1.66 -0.13 119.26 120.61 1bsh h ALA 97 Ca 0.05 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1bsh h ALA 97 Cb 0.46 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1bsh h ALA 97 CO 0.03 -1.10 0.16 -0.22 0.00 0.00 0.00 179.25 178.11 1bsh h LYS 98 N -0.76 0.00 -0.16 0.00 3.64 -1.68 0.55 116.57 118.16 1bsh h LYS 98 Ca -0.07 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1bsh h LYS 98 Cb 0.62 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1bsh h LYS 98 CO 0.06 0.00 -0.24 -0.09 -2.27 0.00 0.00 179.45 176.91 1bsh h ARG 99 N 0.00 0.29 0.00 1.90 2.43 -0.65 -0.70 114.38 117.65 1bsh h ARG 99 Ca 0.10 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1bsh h ARG 99 Cb 0.42 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1bsh h ARG 99 CO -0.00 0.52 -0.54 0.87 -1.51 0.00 0.00 179.97 179.30 1bsh h LYS 100 N 0.26 0.00 0.00 0.20 1.79 0.93 -3.20 116.57 116.55 1bsh h LYS 100 Ca 0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1bsh h LYS 100 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1bsh h LYS 100 CO 0.04 0.20 -0.43 0.00 -1.08 0.00 0.00 179.45 178.17 1bsh h ALA 101 N 1.76 0.72 0.00 3.86 0.00 -0.80 -3.22 119.26 121.59 1bsh h ALA 101 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bsh h ALA 101 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bsh h ALA 101 CO 0.03 0.00 0.00 1.49 0.00 0.00 0.00 179.25 180.77 1bsh h GLU 102 N 0.00 0.00 0.08 0.00 4.57 -1.13 -2.83 114.58 115.26 1bsh h GLU 102 Ca 0.00 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.87 1bsh h GLU 102 Cb 0.78 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.35 1bsh h GLU 102 CO 0.00 0.00 -1.67 0.93 -1.18 0.00 0.00 179.01 177.09 1bsh h GLU 103 N 0.00 0.16 -0.41 1.92 5.08 -1.70 -3.19 114.58 116.44 1bsh h GLU 103 Ca 0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1bsh h GLU 103 Cb 0.54 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1bsh h GLU 103 CO 0.00 0.93 -0.28 0.45 -1.00 0.00 0.00 179.01 179.11 1bsh h HIS 104 N 0.04 1.02 0.00 4.33 3.86 -1.63 -2.52 115.15 120.25 1bsh h HIS 104 Ca -0.29 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 1bsh h HIS 104 Cb 2.01 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.24 1bsh h HIS 104 CO 0.04 1.05 0.00 0.82 0.86 0.00 0.00 177.93 180.70 1bsh h ILE 105 N 0.75 0.00 -0.44 2.45 2.04 -1.64 -2.82 117.51 117.86 1bsh h ILE 105 Ca 0.09 -0.47 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 1bsh h ILE 105 Cb 0.83 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 1bsh h ILE 105 CO 0.07 0.00 0.17 -1.54 0.00 0.00 0.00 178.15 176.85 1bsh n SER 106 N -2.61 3.59 -3.21 1.72 3.41 -0.95 -4.89 113.62 110.68 1bsh n SER 106 Ca 0.03 -2.70 -0.13 0.00 -0.26 0.00 0.00 58.87 55.80 1bsh n SER 106 Cb 0.33 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 1bsh n SER 106 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bsh s SER 107 N -0.38 0.68 0.08 4.04 0.01 -1.06 -5.04 113.70 112.02 1bsh s SER 107 Ca 0.32 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1bsh s SER 107 Cb 0.25 0.70 0.00 0.00 0.21 0.00 0.00 66.02 67.19 1bsh s SER 107 CO 0.08 -1.38 0.00 -0.24 0.41 0.00 0.00 173.24 172.11 1bsh n SER 108 N -1.36 -1.78 -0.51 2.44 2.88 -1.26 -4.98 113.62 109.04 1bsh n SER 108 Ca -0.01 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1bsh n SER 108 Cb 0.61 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1bsh n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh n HIS 109 N -2.20 -0.38 0.00 0.66 1.44 -1.26 -5.03 115.22 108.45 1bsh n HIS 109 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1bsh n HIS 109 Cb 0.14 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.25 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bsh n GLY 110 N 0.00 0.65 0.09 -1.39 0.00 -1.26 -4.01 105.19 99.27 1bsh n GLY 110 Ca 0.00 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 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 1.86 -0.07 1.61 2.03 -1.26 -4.61 116.55 116.10 1bsh n ASP 111 Ca 0.00 0.49 0.01 0.00 0.52 0.00 0.00 54.79 55.81 1bsh n ASP 111 Cb 0.00 -0.89 0.02 0.00 -0.72 0.00 0.00 41.12 39.53 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 -4.49 0.95 0.00 5.18 0.24 -1.26 -4.54 118.33 114.40 1bsh n VAL 112 Ca -0.22 -0.97 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1bsh n VAL 112 Cb 0.52 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.41 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 -0.36 0.00 0.29 -1.34 2.03 -1.26 -2.34 116.55 113.58 1bsh n ASP 113 Ca 0.01 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.51 1bsh n ASP 113 Cb 0.26 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.50 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 -0.25 -0.67 -0.00 -1.91 -1.92 116.97 112.22 1bsh h TYR 114 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.80 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 0.00 0.24 0.00 -0.00 0.00 0.00 178.16 178.40 1bsh h ALA 115 N 2.00 1.98 0.02 0.10 0.00 -1.80 0.21 119.26 121.78 1bsh h ALA 115 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1bsh h ALA 115 Cb 0.35 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1bsh h ALA 115 CO 0.00 -0.37 -0.99 1.96 0.00 0.00 0.00 179.25 179.86 1bsh h GLN 116 N 0.00 0.08 0.00 0.00 4.20 -0.94 -3.17 115.11 115.28 1bsh h GLN 116 Ca 0.12 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1bsh h GLN 116 Cb 0.59 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1bsh h GLN 116 CO -0.00 1.00 -0.33 0.00 -0.67 0.00 0.00 178.83 178.83 1bsh h ALA 117 N 0.96 0.88 0.00 3.87 0.00 -0.74 -2.81 119.26 121.42 1bsh h ALA 117 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1bsh h ALA 117 Cb 1.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1bsh h ALA 117 CO 0.14 0.41 0.00 0.45 0.00 0.00 0.00 179.25 180.25 1bsh n SER 118 N -3.32 0.00 0.12 0.00 2.88 -0.59 -3.02 113.62 109.70 1bsh n SER 118 Ca 0.01 -0.22 -0.22 0.00 -1.33 0.00 0.00 58.87 57.11 1bsh n SER 118 Cb 0.56 -0.21 -0.15 0.00 -0.75 0.00 0.00 64.21 63.66 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh h ALA 119 N 3.18 -0.03 -0.02 -1.46 0.00 -1.59 -3.22 119.26 116.11 1bsh h ALA 119 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1bsh h ALA 119 Cb 0.16 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bsh h ALA 119 CO 0.00 0.83 0.00 -0.85 0.00 0.00 0.00 179.25 179.23 1bsh n GLU 120 N -3.64 1.27 -0.01 0.00 -0.00 -1.17 -3.79 120.64 113.31 1bsh n GLU 120 Ca -0.16 -0.40 -0.17 0.00 -0.00 0.00 0.00 57.16 56.43 1bsh n GLU 120 Cb 1.08 -1.46 -0.14 0.00 -0.00 0.00 0.00 31.44 30.93 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1bsh h LEU 121 N 0.93 0.27 0.00 -1.84 7.12 -1.60 -3.19 115.31 117.01 1bsh h LEU 121 Ca 0.00 -0.94 0.00 0.00 0.13 0.00 0.00 57.88 57.07 1bsh h LEU 121 Cb 0.20 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1bsh h LEU 121 CO 0.00 1.19 0.00 0.00 -0.13 0.00 0.00 178.44 179.50 1bsh n ALA 122 N -2.63 1.46 0.23 1.25 0.00 -1.25 -1.87 120.51 117.71 1bsh n ALA 122 Ca -0.12 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1bsh n ALA 122 Cb 0.65 -1.15 0.49 0.00 0.00 0.00 0.00 19.45 19.44 1bsh n ALA 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 123 N 0.00 0.00 -0.01 0.00 3.64 -1.71 -2.46 116.57 116.03 1bsh h LYS 123 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bsh h LYS 123 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1bsh h LYS 123 CO 0.00 0.17 -0.16 0.00 -2.27 0.00 0.00 179.45 177.19 1bsh n ALA 124 N -2.19 2.89 1.06 5.00 0.00 -0.78 -3.58 120.51 122.90 1bsh n ALA 124 Ca 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 53.44 53.17 1bsh n ALA 124 Cb 0.41 -1.18 0.30 0.00 0.00 0.00 0.00 19.45 18.98 1bsh n ALA 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 125 N -0.47 0.00 0.04 0.00 -0.00 -0.93 -3.74 119.36 114.27 1bsh n ILE 125 Ca 0.15 -0.03 -0.13 0.00 -0.00 0.00 0.00 62.75 62.74 1bsh n ILE 125 Cb 0.34 0.24 -0.02 0.00 -0.00 0.00 0.00 39.64 40.20 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 3.15 0.45 -0.07 -1.39 0.00 -1.66 -2.99 119.26 116.75 1bsh h ALA 126 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1bsh h ALA 126 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bsh h ALA 126 CO 0.00 0.76 0.00 0.00 0.00 0.00 0.00 179.25 180.01 1bsh n GLN 127 N -3.83 1.72 0.02 0.00 10.64 -1.25 -3.80 117.38 120.88 1bsh n GLN 127 Ca -0.06 -1.06 -0.01 0.00 -1.83 0.00 0.00 57.00 54.04 1bsh n GLN 127 Cb 0.76 -1.45 -0.09 0.00 -0.86 0.00 0.00 30.24 28.60 1bsh n GLN 127 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1bsh n LEU 128 N 0.28 0.87 0.17 2.61 7.94 -1.13 -3.17 117.00 124.55 1bsh n LEU 128 Ca 0.18 0.39 0.09 0.00 -1.11 0.00 0.00 56.01 55.56 1bsh n LEU 128 Cb 0.36 0.09 0.09 0.00 0.53 0.00 0.00 43.42 44.48 1bsh n LEU 128 CO 0.15 0.18 0.49 0.03 -1.11 0.00 0.00 177.39 177.14 1bsh h ARG 129 N 0.00 0.00 0.00 1.96 3.08 -1.65 -2.66 114.38 115.11 1bsh h ARG 129 Ca -0.18 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.62 1bsh h ARG 129 Cb 1.65 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.66 1bsh h ARG 129 CO 0.05 0.11 -1.48 -0.39 -1.07 0.00 0.00 179.97 177.19 1bsh h VAL 130 N 0.00 0.92 0.00 2.04 -1.51 -1.71 -3.30 116.25 112.69 1bsh h VAL 130 Ca -0.01 -2.67 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 1bsh h VAL 130 Cb 1.11 2.41 0.00 0.00 -2.13 0.00 0.00 31.29 32.69 1bsh h VAL 130 CO 0.02 0.53 -0.58 0.00 -1.23 0.00 0.00 177.57 176.30 1bsh n ILE 131 N -3.07 0.26 0.08 7.19 0.00 -1.19 -3.88 119.36 118.75 1bsh n ILE 131 Ca -0.12 -0.20 -0.13 0.00 0.00 0.00 0.00 62.75 62.30 1bsh n ILE 131 Cb 0.98 -0.06 -0.13 0.00 0.00 0.00 0.00 39.64 40.43 1bsh n ILE 131 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1bsh h GLU 132 N 0.00 0.18 -0.03 9.51 4.39 -1.57 -3.20 114.58 123.87 1bsh h GLU 132 Ca 0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1bsh h GLU 132 Cb 0.68 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1bsh h GLU 132 CO 0.00 1.11 0.00 1.47 -1.16 0.00 0.00 179.01 180.43 1bsh n LEU 133 N -3.45 0.64 0.01 1.33 -0.00 -1.24 -3.54 117.00 110.76 1bsh n LEU 133 Ca -0.08 -0.23 -0.16 0.00 -0.00 0.00 0.00 56.01 55.55 1bsh n LEU 133 Cb 1.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 43.42 44.27 1bsh n LEU 133 CO 0.51 0.12 -0.59 0.71 -0.00 0.00 0.00 177.39 178.13 1bsh h THR 134 N 0.96 0.83 0.00 1.47 1.35 -1.66 -3.09 112.91 112.77 1bsh h THR 134 Ca 0.00 -2.58 -0.05 0.00 -0.55 0.00 0.00 66.41 63.23 1bsh h THR 134 Cb 0.21 2.53 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1bsh h THR 134 CO 0.00 0.73 -0.25 0.07 -0.25 0.00 0.00 175.52 175.82 1bsh h LYS 135 N 0.04 0.00 -0.00 4.72 2.10 -1.65 -3.06 116.57 118.72 1bsh h LYS 135 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1bsh h LYS 135 Cb 2.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.35 1bsh h LYS 135 CO 0.10 0.25 -0.36 1.17 -2.00 0.00 0.00 179.45 178.62 1bsh n LYS 136 N -3.18 0.50 -0.06 0.07 4.81 -1.23 -3.63 118.16 115.43 1bsh n LYS 136 Ca 0.03 -0.29 0.12 0.00 -0.87 0.00 0.00 58.31 57.29 1bsh n LYS 136 Cb 0.61 -1.49 0.40 0.00 0.02 0.00 0.00 35.03 34.56 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 -1.00 2.53 1.40 3.14 0.00 -1.15 -5.09 120.51 120.33 1bsh n ALA 137 Ca 0.09 -0.54 0.14 0.00 0.00 0.00 0.00 53.44 53.13 1bsh n ALA 137 Cb 0.34 -1.09 0.44 0.00 0.00 0.00 0.00 19.45 19.14 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38