#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 -0.32 -1.35 0.00 0.00 -1.26 -4.94 117.12 109.25 1bsh n MET 2 Ca 0.00 -1.40 0.15 0.00 -0.00 0.00 0.00 57.70 56.45 1bsh n MET 2 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 33.22 32.52 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 -2.69 -0.90 -0.52 1.12 -2.24 -1.26 -5.03 114.28 102.75 1bsh n THR 3 Ca 0.10 0.87 0.00 0.00 -2.27 0.00 0.00 64.05 62.75 1bsh n THR 3 Cb 0.34 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 -4.17 0.00 -4.43 4.78 4.11 -0.66 -4.78 117.16 112.01 1bsh n TYR 4 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.61 1bsh n TYR 4 Cb 0.60 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.79 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 -0.29 1.05 -0.22 -3.48 2.46 -1.25 -1.56 115.29 112.01 1bsh s HIS 5 Ca 0.00 -0.28 -0.07 0.00 0.47 0.00 0.00 55.06 55.18 1bsh s HIS 5 Cb 0.00 -0.75 -0.03 0.00 -0.13 0.00 0.00 32.58 31.66 1bsh s HIS 5 CO 0.00 -0.13 0.05 -1.17 -2.47 0.00 0.00 174.74 171.02 1bsh s LEU 6 N 0.27 3.49 -0.43 8.88 1.98 -0.75 -0.58 118.68 131.53 1bsh s LEU 6 Ca -0.05 -0.12 0.07 0.00 -2.89 0.00 0.00 54.13 51.14 1bsh s LEU 6 Cb -0.10 -1.91 0.24 0.00 0.66 0.00 0.00 46.19 45.08 1bsh s LEU 6 CO 0.01 0.05 0.53 -0.67 -1.89 0.00 0.00 176.35 174.38 1bsh n ASP 7 N 4.32 0.63 -4.60 3.68 2.03 -0.73 -2.18 116.55 119.70 1bsh n ASP 7 Ca -0.16 -2.76 -0.36 0.00 0.52 0.00 0.00 54.79 52.02 1bsh n ASP 7 Cb 0.52 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bsh s VAL 8 N -1.21 4.95 0.10 5.18 0.11 -0.85 -2.61 120.40 126.08 1bsh s VAL 8 Ca 0.35 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 1bsh s VAL 8 Cb 0.15 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1bsh s VAL 8 CO -0.11 0.37 0.02 1.33 -3.33 0.00 0.00 175.10 173.38 1bsh n VAL 9 N 4.28 0.00 -3.15 2.04 0.24 -0.76 -3.21 118.33 117.77 1bsh n VAL 9 Ca -0.16 -0.57 0.05 0.00 -2.04 0.00 0.00 64.34 61.62 1bsh n VAL 9 Cb 0.52 0.18 -0.01 0.00 -1.47 0.00 0.00 33.84 33.06 1bsh n VAL 9 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bsh s SER 10 N -1.62 -0.97 0.01 -1.34 1.04 -1.24 -1.90 113.70 107.67 1bsh s SER 10 Ca 0.03 0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1bsh s SER 10 Cb 0.00 1.77 0.00 0.00 0.10 0.00 0.00 66.02 67.89 1bsh s SER 10 CO 0.02 -0.18 0.00 0.00 0.98 0.00 0.00 173.24 174.06 1bsh n ALA 11 N 5.41 0.00 -3.12 5.32 0.00 -1.18 -2.70 120.51 124.25 1bsh n ALA 11 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1bsh n ALA 11 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.87 -3.35 0.00 0.28 -1.26 -5.05 120.64 112.12 1bsh n GLU 12 Ca 0.00 -3.09 -0.12 0.00 -0.16 0.00 0.00 57.16 53.80 1bsh n GLU 12 Cb 0.00 -1.45 -0.08 0.00 1.43 0.00 0.00 31.44 31.34 1bsh n GLU 12 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bsh s GLN 13 N -1.53 0.36 -0.46 3.44 -0.21 -1.10 -5.09 119.66 115.06 1bsh s GLN 13 Ca 0.36 0.20 -0.27 0.00 0.02 0.00 0.00 55.36 55.67 1bsh s GLN 13 Cb 0.27 -0.51 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 1bsh s GLN 13 CO -0.10 -0.88 1.84 -0.65 -2.12 0.00 0.00 175.29 173.38 1bsh s GLN 14 N 2.49 2.97 0.00 2.91 -0.21 -1.26 -3.69 119.66 122.87 1bsh s GLN 14 Ca 0.10 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.53 1bsh s GLN 14 Cb -0.14 -4.29 0.00 0.00 1.00 0.00 0.00 33.01 29.58 1bsh s GLN 14 CO -0.25 -2.30 0.00 -1.33 -2.12 0.00 0.00 175.29 169.29 1bsh n MET 15 N 8.77 0.00 -3.79 2.91 2.81 -1.21 -4.90 117.12 121.72 1bsh n MET 15 Ca 0.22 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.74 1bsh n MET 15 Cb 0.50 -0.03 -0.13 0.00 -0.71 0.00 0.00 33.22 32.85 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 3.21 -0.46 2.03 5.36 -1.20 -5.00 117.98 121.92 1bsh s PHE 16 Ca 0.00 -1.35 0.05 0.00 -0.96 0.00 0.00 56.93 54.67 1bsh s PHE 16 Cb 0.00 -2.24 0.18 0.00 -0.34 0.00 0.00 43.02 40.62 1bsh s PHE 16 CO 0.00 -0.69 0.39 -1.13 -1.46 0.00 0.00 175.22 172.33 1bsh n SER 17 N 4.80 0.27 -3.72 6.13 3.41 -1.15 -2.00 113.62 121.36 1bsh n SER 17 Ca -0.13 -2.57 0.03 0.00 -0.26 0.00 0.00 58.87 55.93 1bsh n SER 17 Cb 0.46 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1bsh n SER 17 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bsh s GLY 18 N -0.38 -0.32 1.01 5.00 0.00 -0.93 -4.98 107.32 106.72 1bsh s GLY 18 Ca 0.32 0.49 -0.16 0.00 0.00 0.00 0.00 44.72 45.37 1bsh s GLY 18 CO -0.18 2.67 0.03 1.04 0.00 0.00 0.00 173.10 176.66 1bsh n LEU 19 N -0.68 -1.69 -3.59 0.66 4.77 -1.26 -1.81 117.00 113.40 1bsh n LEU 19 Ca -0.03 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.01 1bsh n LEU 19 Cb 0.61 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1bsh n LEU 19 CO 0.13 -3.67 0.52 0.54 -1.33 0.00 0.00 177.39 173.57 1bsh s VAL 20 N -2.28 0.00 0.00 4.08 0.11 -0.60 -4.54 120.40 117.16 1bsh s VAL 20 Ca 0.53 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1bsh s VAL 20 Cb -0.16 -1.38 0.00 0.00 -1.53 0.00 0.00 36.38 33.31 1bsh s VAL 20 CO 0.69 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.67 1bsh n GLU 21 N -0.38 0.24 -3.24 1.54 2.13 -0.58 -1.66 120.64 118.68 1bsh n GLU 21 Ca -0.11 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.69 1bsh n GLU 21 Cb 0.62 -0.87 -0.04 0.00 0.27 0.00 0.00 31.44 31.43 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bsh s LYS 22 N -1.74 0.47 0.00 5.31 2.20 -1.13 -4.65 119.74 120.21 1bsh s LYS 22 Ca 0.00 0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 56.35 1bsh s LYS 22 Cb 0.00 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 1bsh s LYS 22 CO 0.00 -0.67 0.16 -1.50 -0.36 0.00 0.00 175.35 172.98 1bsh s ILE 23 N 2.72 5.22 0.00 5.43 2.07 -1.14 -0.37 121.20 135.13 1bsh s ILE 23 Ca 0.17 -0.27 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1bsh s ILE 23 Cb -0.15 -3.45 -0.02 0.00 0.13 0.00 0.00 42.46 38.97 1bsh s ILE 23 CO -0.20 0.30 -0.25 -1.10 -1.91 0.00 0.00 174.94 171.78 1bsh s GLN 24 N -1.98 1.93 -0.02 3.50 -0.21 0.21 -2.67 119.66 120.41 1bsh s GLN 24 Ca 0.27 -0.96 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1bsh s GLN 24 Cb -0.12 -1.94 0.02 0.00 1.00 0.00 0.00 33.01 31.96 1bsh s GLN 24 CO 0.19 0.52 -0.02 0.08 -2.12 0.00 0.00 175.29 173.94 1bsh s VAL 25 N -0.66 0.30 -0.16 1.09 1.01 -1.25 -1.62 120.40 119.11 1bsh s VAL 25 Ca 0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1bsh s VAL 25 Cb -0.10 -0.33 0.06 0.00 0.00 0.00 0.00 36.38 36.01 1bsh s VAL 25 CO 0.00 0.14 0.11 -0.89 0.00 0.00 0.00 175.10 174.46 1bsh s THR 26 N 0.59 -0.14 0.00 3.92 2.01 -1.01 -3.57 115.64 117.45 1bsh s THR 26 Ca -0.06 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1bsh s THR 26 Cb -0.10 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.88 1bsh s THR 26 CO -0.01 -0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.33 1bsh n GLY 27 N 5.29 1.26 0.79 4.40 0.00 -1.26 -2.67 105.19 113.01 1bsh n GLY 27 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 0.38 -4.36 1.61 7.64 -1.26 -4.91 113.62 112.73 1bsh n SER 28 Ca 0.00 0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 1bsh n SER 28 Cb 0.00 -0.21 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 1bsh n SER 28 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1bsh s GLU 29 N -1.36 2.32 -0.17 1.43 -1.05 -1.26 -4.80 118.70 113.81 1bsh s GLU 29 Ca -0.02 -0.85 -0.00 0.00 -0.15 0.00 0.00 54.97 53.95 1bsh s GLU 29 Cb 0.00 -2.18 -0.00 0.00 -0.44 0.00 0.00 34.13 31.51 1bsh s GLU 29 CO 0.03 0.55 0.16 0.41 0.95 0.00 0.00 175.26 177.36 1bsh n GLY 30 N 2.49 -0.45 3.23 -3.83 0.00 -1.26 -4.85 105.19 100.52 1bsh n GLY 30 Ca -0.17 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.22 3.78 -4.27 1.61 0.28 -1.26 -4.77 120.64 114.79 1bsh n GLU 31 Ca -0.00 -4.49 -0.27 0.00 -0.16 0.00 0.00 57.16 52.23 1bsh n GLU 31 Cb 0.50 -2.53 -0.09 0.00 1.43 0.00 0.00 31.44 30.75 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 -1.75 3.01 0.46 -1.84 1.43 -1.23 -4.80 118.68 113.96 1bsh s LEU 32 Ca 0.31 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1bsh s LEU 32 Cb -0.05 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.48 1bsh s LEU 32 CO -0.03 0.12 0.63 -0.83 0.23 0.00 0.00 176.35 176.47 1bsh s GLY 33 N -2.70 1.90 -0.14 -3.19 0.00 -1.26 -3.86 107.32 98.08 1bsh s GLY 33 Ca 0.24 -1.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.08 1bsh s GLY 33 CO 0.15 -1.52 0.21 -0.42 0.00 0.00 0.00 173.10 171.52 1bsh s ILE 34 N -2.44 5.36 0.28 0.90 -1.09 -1.09 -4.93 121.20 118.20 1bsh s ILE 34 Ca 0.57 0.38 0.02 0.00 -2.23 0.00 0.00 60.65 59.39 1bsh s ILE 34 Cb -0.09 -3.52 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 1bsh s ILE 34 CO 0.35 0.50 0.08 -0.72 -1.23 0.00 0.00 174.94 173.92 1bsh s TYR 35 N -0.24 1.68 -1.00 3.97 1.13 -1.26 -2.90 117.35 118.72 1bsh s TYR 35 Ca 0.15 -1.10 -0.23 0.00 -1.41 0.00 0.00 57.07 54.47 1bsh s TYR 35 Cb -0.13 -1.02 -0.03 0.00 -1.10 0.00 0.00 41.96 39.69 1bsh s TYR 35 CO 0.03 -0.22 1.82 -1.25 -2.51 0.00 0.00 175.55 173.43 1bsh s PRO 36 N -3.98 2.87 0.00 -3.49 0.04 -1.26 -2.21 135.00 126.97 1bsh s PRO 36 Ca 0.37 -0.74 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1bsh s PRO 36 Cb 0.08 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1bsh s PRO 36 CO 0.14 -3.15 0.00 0.41 0.04 0.00 0.00 177.00 174.44 1bsh n GLY 37 N 6.58 -0.22 3.51 0.56 0.00 -1.26 -4.89 105.19 109.47 1bsh n GLY 37 Ca 0.40 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.88 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 0.69 -0.61 1.61 -0.00 -0.94 -4.85 115.22 111.12 1bsh n HIS 38 Ca 0.00 0.91 -0.21 0.00 0.46 0.00 0.00 57.72 58.88 1bsh n HIS 38 Cb 0.00 -2.14 0.13 0.00 -0.12 0.00 0.00 29.99 27.86 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 1.37 -1.37 -2.46 1.57 0.00 -1.26 -4.72 120.51 113.64 1bsh n ALA 39 Ca 0.18 -1.04 -0.39 0.00 0.00 0.00 0.00 53.44 52.19 1bsh n ALA 39 Cb 0.16 -0.92 -0.02 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 -3.24 3.61 0.23 0.00 0.04 -1.26 -4.89 135.00 129.48 1bsh s PRO 40 Ca 0.37 -1.70 0.00 0.00 0.04 0.00 0.00 61.00 59.71 1bsh s PRO 40 Cb -0.05 -5.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.00 1bsh s PRO 40 CO 0.40 -2.64 0.41 -0.51 0.04 0.00 0.00 177.00 174.70 1bsh s LEU 41 N 5.84 4.20 -0.13 -3.56 2.01 -1.26 -5.00 118.68 120.78 1bsh s LEU 41 Ca 0.57 0.38 0.05 0.00 0.01 0.00 0.00 54.13 55.13 1bsh s LEU 41 Cb 0.02 -3.16 0.16 0.00 0.01 0.00 0.00 46.19 43.22 1bsh s LEU 41 CO 0.07 -0.08 1.06 0.00 1.01 0.00 0.00 176.35 178.41 1bsh n LEU 42 N -0.91 -0.99 0.00 1.79 -0.00 -1.26 -2.86 117.00 112.77 1bsh n LEU 42 Ca -0.05 -2.17 0.00 0.00 -0.00 0.00 0.00 56.01 53.79 1bsh n LEU 42 Cb 0.54 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 1bsh n LEU 42 CO 0.48 1.44 0.00 0.35 -0.00 0.00 0.00 177.39 179.66 1bsh n THR 43 N -0.59 0.00 -3.60 1.47 -2.24 -1.26 -4.65 114.28 103.40 1bsh n THR 43 Ca -0.19 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.40 1bsh n THR 43 Cb 0.70 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 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 -3.02 4.15 0.30 6.98 0.00 -1.26 -1.32 121.76 127.58 1bsh s ALA 44 Ca 0.00 -1.43 0.07 0.00 0.00 0.00 0.00 51.96 50.60 1bsh s ALA 44 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1bsh s ALA 44 CO 0.00 0.03 0.26 0.42 0.00 0.00 0.00 175.76 176.46 1bsh s ILE 45 N -2.15 3.90 0.17 0.00 1.01 -0.87 -4.85 121.20 118.41 1bsh s ILE 45 Ca 0.42 -1.38 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 1bsh s ILE 45 Cb -0.09 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 1bsh s ILE 45 CO 0.30 -0.24 0.38 -0.54 0.00 0.00 0.00 174.94 174.84 1bsh s LYS 46 N -3.94 3.57 -0.05 2.79 3.01 -1.26 -4.28 119.74 119.58 1bsh s LYS 46 Ca 0.38 -0.19 -0.30 0.00 -1.01 0.00 0.00 55.97 54.84 1bsh s LYS 46 Cb -0.07 -2.84 -0.02 0.00 -1.01 0.00 0.00 37.83 33.89 1bsh s LYS 46 CO 0.26 0.44 1.01 -1.25 0.51 0.00 0.00 175.35 176.32 1bsh s PRO 47 N -2.94 4.48 0.00 -1.68 0.04 0.48 -4.68 135.00 130.71 1bsh s PRO 47 Ca 0.40 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1bsh s PRO 47 Cb -0.12 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1bsh s PRO 47 CO 0.27 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1bsh n GLY 48 N 3.02 -0.73 2.76 0.56 0.00 -1.02 -4.05 105.19 105.74 1bsh n GLY 48 Ca 0.08 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.90 -3.69 1.61 0.00 -1.09 -2.89 117.12 111.96 1bsh n MET 49 Ca 0.00 -2.49 -0.14 0.00 0.00 0.00 0.00 57.70 55.08 1bsh n MET 49 Cb 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 33.22 33.39 1bsh n MET 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1bsh s ILE 50 N -1.97 0.00 -0.16 3.17 1.01 0.95 -2.41 121.20 121.79 1bsh s ILE 50 Ca 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 60.65 60.88 1bsh s ILE 50 Cb -0.02 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.74 1bsh s ILE 50 CO 0.15 -0.00 -0.05 -0.60 0.00 0.00 0.00 174.94 174.44 1bsh s ARG 51 N 0.28 1.40 0.41 2.79 3.52 -0.64 -2.49 118.95 124.22 1bsh s ARG 51 Ca -0.00 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1bsh s ARG 51 Cb -0.04 -1.97 -0.07 0.00 -1.56 0.00 0.00 34.95 31.31 1bsh s ARG 51 CO 0.01 -0.43 0.07 0.42 -0.81 0.00 0.00 175.30 174.56 1bsh s ILE 52 N 1.65 2.13 -0.29 4.11 1.01 -0.70 0.64 121.20 129.74 1bsh s ILE 52 Ca 0.01 -1.90 -0.03 0.00 0.00 0.00 0.00 60.65 58.73 1bsh s ILE 52 Cb -0.15 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.43 1bsh s ILE 52 CO -0.08 -0.01 0.12 -0.69 0.00 0.00 0.00 174.94 174.28 1bsh s VAL 53 N -2.66 0.19 0.14 2.92 1.01 0.50 -2.46 120.40 120.03 1bsh s VAL 53 Ca 0.37 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 61.11 1bsh s VAL 53 Cb 0.07 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.19 1bsh s VAL 53 CO 0.20 -0.71 1.81 -0.75 0.00 0.00 0.00 175.10 175.65 1bsh s LYS 54 N 1.97 4.14 0.72 2.72 2.20 -1.02 -1.53 119.74 128.93 1bsh s LYS 54 Ca 0.09 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1bsh s LYS 54 Cb -0.16 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1bsh s LYS 54 CO -0.33 -0.83 0.00 1.04 -0.36 0.00 0.00 175.35 174.87 1bsh n GLN 55 N 5.39 0.00 -2.69 4.03 6.02 -1.26 -2.14 117.38 126.74 1bsh n GLN 55 Ca 0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.10 1bsh n GLN 55 Cb 0.38 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.72 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1bsh n HIS 56 N 0.00 -1.97 0.00 1.08 -0.00 -1.26 -4.40 115.22 108.68 1bsh n HIS 56 Ca 0.00 -1.62 0.00 0.00 -0.00 0.00 0.00 57.72 56.10 1bsh n HIS 56 Cb 0.00 1.50 0.00 0.00 -0.00 0.00 0.00 29.99 31.49 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 -0.59 1.57 3.78 1.57 0.00 -0.91 -5.14 105.19 105.47 1bsh n GLY 57 Ca -0.09 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1bsh n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bsh s HIS 58 N 0.99 2.11 0.29 1.61 3.76 -1.26 -4.87 115.29 117.92 1bsh s HIS 58 Ca 0.00 0.74 0.05 0.00 -0.15 0.00 0.00 55.06 55.70 1bsh s HIS 58 Cb 0.00 -3.49 -0.06 0.00 1.11 0.00 0.00 32.58 30.14 1bsh s HIS 58 CO 0.00 -2.63 0.00 -1.21 -0.85 0.00 0.00 174.74 170.05 1bsh s GLU 59 N -5.36 1.57 0.02 1.40 2.02 -1.26 -2.44 118.70 114.65 1bsh s GLU 59 Ca 0.66 -1.83 0.03 0.00 0.02 0.00 0.00 54.97 53.85 1bsh s GLU 59 Cb -0.13 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.12 1bsh s GLU 59 CO 0.54 -0.08 -0.10 -2.00 0.02 0.00 0.00 175.26 173.64 1bsh s GLU 60 N -3.82 0.71 -0.11 1.61 2.12 -1.03 -4.90 118.70 113.29 1bsh s GLU 60 Ca 0.32 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 55.06 1bsh s GLU 60 Cb 0.06 -0.65 -0.03 0.00 0.26 0.00 0.00 34.13 33.78 1bsh s GLU 60 CO 0.13 0.16 -0.08 -0.06 -0.54 0.00 0.00 175.26 174.87 1bsh s PHE 61 N -0.75 2.91 0.01 5.30 0.40 -1.26 -1.73 117.98 122.86 1bsh s PHE 61 Ca -0.01 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1bsh s PHE 61 Cb -0.07 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 1bsh s PHE 61 CO 0.01 0.08 0.01 0.42 0.70 0.00 0.00 175.22 176.43 1bsh s ILE 62 N -0.19 0.08 0.01 0.64 1.09 -1.04 -4.13 121.20 117.66 1bsh s ILE 62 Ca 0.02 -0.65 -0.07 0.00 -1.10 0.00 0.00 60.65 58.84 1bsh s ILE 62 Cb -0.13 -0.23 -0.00 0.00 -1.06 0.00 0.00 42.46 41.04 1bsh s ILE 62 CO 0.03 -0.36 0.14 -0.47 -0.10 0.00 0.00 174.94 174.18 1bsh s TYR 63 N -1.08 0.07 0.10 3.97 6.14 -1.26 -0.04 117.35 125.25 1bsh s TYR 63 Ca -0.12 -0.21 -0.08 0.00 0.64 0.00 0.00 57.07 57.30 1bsh s TYR 63 Cb -0.07 -0.06 0.03 0.00 0.42 0.00 0.00 41.96 42.28 1bsh s TYR 63 CO -0.00 -0.32 0.38 1.47 0.64 0.00 0.00 175.55 177.71 1bsh n LEU 64 N 1.22 0.00 0.00 6.97 -0.00 -1.14 -2.45 117.00 121.60 1bsh n LEU 64 Ca -0.22 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.08 1bsh n LEU 64 Cb 0.56 1.23 0.00 0.00 -0.00 0.00 0.00 43.42 45.21 1bsh n LEU 64 CO 0.21 -0.24 0.00 -1.20 -0.00 0.00 0.00 177.39 176.17 1bsh n SER 65 N -0.96 0.00 -4.23 1.45 7.64 -1.18 -2.44 113.62 113.90 1bsh n SER 65 Ca -0.02 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.73 1bsh n SER 65 Cb 0.23 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 1bsh n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bsh s GLY 66 N -1.44 1.40 0.00 0.23 0.00 -1.26 -0.39 107.32 105.86 1bsh s GLY 66 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1bsh s GLY 66 CO 0.00 -1.47 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1bsh n GLY 67 N -0.29 -1.98 3.95 0.20 0.00 -1.26 -3.61 105.19 102.20 1bsh n GLY 67 Ca -0.02 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.31 5.30 0.28 -0.61 1.09 0.44 -2.05 121.20 123.35 1bsh s ILE 68 Ca 0.00 -0.78 0.02 0.00 -1.10 0.00 0.00 60.65 58.79 1bsh s ILE 68 Cb 0.00 -3.78 -0.06 0.00 -1.06 0.00 0.00 42.46 37.56 1bsh s ILE 68 CO 0.00 -0.17 0.08 -1.48 -0.10 0.00 0.00 174.94 173.27 1bsh s LEU 69 N -3.48 1.89 -0.29 2.97 0.05 -0.44 -0.58 118.68 118.80 1bsh s LEU 69 Ca 0.34 -1.37 -0.15 0.00 0.05 0.00 0.00 54.13 53.00 1bsh s LEU 69 Cb -0.10 -0.16 0.14 0.00 -2.05 0.00 0.00 46.19 44.02 1bsh s LEU 69 CO 0.29 -0.67 0.93 -0.70 -0.55 0.00 0.00 176.35 175.65 1bsh s GLU 70 N -3.97 0.39 0.00 1.48 2.56 -0.59 -4.25 118.70 114.33 1bsh s GLU 70 Ca 0.37 0.79 -0.02 0.00 0.00 0.00 0.00 54.97 56.11 1bsh s GLU 70 Cb 0.08 0.26 -0.04 0.00 2.00 0.00 0.00 34.13 36.44 1bsh s GLU 70 CO 0.14 -0.10 0.19 0.54 -0.56 0.00 0.00 175.26 175.47 1bsh s VAL 71 N 1.85 5.42 0.20 3.70 0.11 -1.14 -1.64 120.40 128.91 1bsh s VAL 71 Ca -0.07 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 1bsh s VAL 71 Cb -0.05 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1bsh s VAL 71 CO -0.16 0.29 -0.03 -1.10 -3.33 0.00 0.00 175.10 170.76 1bsh s GLN 72 N -2.04 1.24 -0.54 1.54 -0.21 0.01 -4.87 119.66 114.79 1bsh s GLN 72 Ca 0.29 -1.60 -0.28 0.00 0.02 0.00 0.00 55.36 53.79 1bsh s GLN 72 Cb -0.13 -0.61 0.02 0.00 1.00 0.00 0.00 33.01 33.30 1bsh s GLN 72 CO 0.20 -0.04 1.34 -1.25 -2.12 0.00 0.00 175.29 173.41 1bsh s PRO 73 N -3.83 3.42 0.00 2.91 0.04 -1.26 -2.83 135.00 133.45 1bsh s PRO 73 Ca 0.25 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1bsh s PRO 73 Cb 0.05 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.52 1bsh s PRO 73 CO 0.06 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.72 1bsh n GLY 74 N 5.16 0.65 3.59 0.56 0.00 -1.26 -5.02 105.19 108.87 1bsh n GLY 74 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.74 -0.00 0.18 1.61 2.20 -1.13 -3.76 114.94 111.29 1bsh s ASN 75 Ca 0.00 -0.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.91 1bsh s ASN 75 Cb 0.00 0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 1bsh s ASN 75 CO 0.00 -0.02 0.09 0.68 -2.94 0.00 0.00 177.10 174.91 1bsh s VAL 76 N -2.02 0.15 -0.28 3.54 -7.23 0.25 -0.81 120.40 113.99 1bsh s VAL 76 Ca 0.14 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 1bsh s VAL 76 Cb 0.05 -2.32 0.11 0.00 0.56 0.00 0.00 36.38 34.78 1bsh s VAL 76 CO -0.05 -0.20 0.90 -0.89 -0.31 0.00 0.00 175.10 174.55 1bsh s THR 77 N -4.04 0.00 -0.01 5.32 2.01 -0.65 -1.77 115.64 116.50 1bsh s THR 77 Ca 0.32 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1bsh s THR 77 Cb 0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1bsh s THR 77 CO 0.08 0.00 -0.03 0.68 -0.69 0.00 0.00 174.62 174.66 1bsh s VAL 78 N 0.89 0.27 -0.06 3.82 -7.23 -1.07 -1.55 120.40 115.47 1bsh s VAL 78 Ca -0.04 -0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.97 1bsh s VAL 78 Cb -0.05 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1bsh s VAL 78 CO -0.11 0.09 0.16 -0.76 -0.31 0.00 0.00 175.10 174.18 1bsh s LEU 79 N 0.12 4.35 0.00 1.32 1.02 0.25 -1.83 118.68 123.92 1bsh s LEU 79 Ca -0.01 0.39 0.03 0.00 0.02 0.00 0.00 54.13 54.57 1bsh s LEU 79 Cb -0.04 -2.36 -0.01 0.00 0.02 0.00 0.00 46.19 43.80 1bsh s LEU 79 CO -0.00 0.33 0.35 0.00 0.02 0.00 0.00 176.35 177.05 1bsh n ALA 80 N 1.41 0.25 -0.00 4.21 0.00 -0.80 -0.42 120.51 125.16 1bsh n ALA 80 Ca -0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 53.44 51.57 1bsh n ALA 80 Cb 0.54 1.38 -0.00 0.00 0.00 0.00 0.00 19.45 21.37 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 -1.71 3.98 -4.50 0.00 9.92 -1.24 -3.07 116.55 119.93 1bsh n ASP 81 Ca 0.04 -0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.93 1bsh n ASP 81 Cb 0.57 0.01 -0.12 0.00 -0.64 0.00 0.00 41.12 40.94 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 -2.02 4.61 -0.41 -3.53 2.01 -1.26 -4.77 115.64 110.28 1bsh s THR 82 Ca -0.01 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1bsh s THR 82 Cb 0.00 -3.17 0.15 0.00 0.01 0.00 0.00 72.50 69.49 1bsh s THR 82 CO 0.02 0.32 0.26 0.00 -0.69 0.00 0.00 174.62 174.53 1bsh s ALA 83 N 1.57 1.53 -0.77 7.40 0.00 -1.26 -3.08 121.76 127.16 1bsh s ALA 83 Ca 0.06 -2.30 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 1bsh s ALA 83 Cb -0.15 -1.71 0.20 0.00 0.00 0.00 0.00 23.12 21.46 1bsh s ALA 83 CO 0.05 -2.07 0.71 0.42 0.00 0.00 0.00 175.76 174.88 1bsh s ILE 84 N 0.52 5.53 0.69 0.00 1.09 -1.03 -4.97 121.20 123.03 1bsh s ILE 84 Ca 0.21 -2.26 -0.17 0.00 -1.10 0.00 0.00 60.65 57.33 1bsh s ILE 84 Cb -0.17 -4.44 -0.13 0.00 -1.06 0.00 0.00 42.46 36.66 1bsh s ILE 84 CO -0.05 -0.99 -0.22 -1.14 -0.10 0.00 0.00 174.94 172.44 1bsh n ARG 85 N 4.24 0.05 -0.43 2.79 0.63 -1.26 -3.98 116.66 118.70 1bsh n ARG 85 Ca 0.08 0.02 0.35 0.00 -0.92 0.00 0.00 57.85 57.39 1bsh n ARG 85 Cb 0.45 -1.14 0.64 0.00 0.45 0.00 0.00 32.46 32.86 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 -0.38 1.19 0.00 5.14 0.00 -1.85 -2.27 103.07 104.90 1bsh h GLY 86 Ca -0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1bsh h GLY 86 CO 0.36 -0.33 -0.00 1.46 0.00 0.00 0.00 176.54 178.03 1bsh h GLN 87 N 0.12 -0.00 0.00 4.80 4.20 -1.87 -3.40 115.11 118.96 1bsh h GLN 87 Ca 0.78 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.49 1bsh h GLN 87 Cb 2.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.23 1bsh h GLN 87 CO -0.37 -0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 177.39 1bsh n ASP 88 N -2.02 0.00 0.00 1.46 5.68 -0.85 -3.93 116.55 116.88 1bsh n ASP 88 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1bsh n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bsh n LEU 89 N 0.00 0.00 0.00 -2.12 4.77 -1.26 -4.97 117.00 113.42 1bsh n LEU 89 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1bsh n LEU 89 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1bsh n LEU 89 CO 0.00 0.00 -0.06 0.47 -1.33 0.00 0.00 177.39 176.47 1bsh n ASP 90 N 0.00 2.31 0.00 -1.43 8.00 -1.25 -5.11 116.55 119.06 1bsh n ASP 90 Ca 0.00 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1bsh n ASP 90 Cb 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.40 0.00 0.03 -1.24 1.02 -1.26 -4.76 120.64 114.03 1bsh n GLU 91 Ca -0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.17 1bsh n GLU 91 Cb 0.18 0.00 0.36 0.00 -0.02 0.00 0.00 31.44 31.96 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 92 N -2.41 1.71 1.72 0.62 0.00 -1.26 -2.08 120.51 118.81 1bsh n ALA 92 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1bsh n ALA 92 Cb 0.00 -1.28 0.48 0.00 0.00 0.00 0.00 19.45 18.65 1bsh n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bsh n ARG 93 N -1.67 1.27 0.10 0.00 3.00 -1.26 -3.27 116.66 114.84 1bsh n ARG 93 Ca 0.03 -0.40 0.09 0.00 -0.00 0.00 0.00 57.85 57.57 1bsh n ARG 93 Cb 0.19 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bsh h ALA 94 N 3.74 0.58 0.00 5.13 0.00 -1.72 -3.30 119.26 123.69 1bsh h ALA 94 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1bsh h ALA 94 Cb 0.18 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1bsh h ALA 94 CO 0.00 0.19 -0.35 0.52 0.00 0.00 0.00 179.25 179.61 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.76 -2.87 114.93 113.16 1bsh h MET 95 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1bsh h MET 95 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1bsh h MET 95 CO 0.01 0.35 0.04 1.49 1.06 0.00 0.00 176.91 179.87 1bsh h GLU 96 N 0.00 0.00 0.03 1.72 4.81 -1.76 -1.68 114.58 117.71 1bsh h GLU 96 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1bsh h GLU 96 Cb 0.95 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.35 1bsh h GLU 96 CO 0.05 0.00 -0.68 0.00 -0.73 0.00 0.00 179.01 177.65 1bsh h ALA 97 N 1.90 0.04 0.00 2.92 0.00 -1.73 -3.11 119.26 119.28 1bsh h ALA 97 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1bsh h ALA 97 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bsh h ALA 97 CO 0.00 0.38 0.05 -0.22 0.00 0.00 0.00 179.25 179.45 1bsh h LYS 98 N -0.13 0.00 0.09 0.00 3.11 -1.47 -0.59 116.57 117.58 1bsh h LYS 98 Ca -0.09 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.48 1bsh h LYS 98 Cb 1.41 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.65 1bsh h LYS 98 CO 0.13 0.00 -1.16 -0.09 -2.81 0.00 0.00 179.45 175.52 1bsh h ARG 99 N 0.00 0.44 0.00 1.90 1.12 -1.54 -1.65 114.38 114.65 1bsh h ARG 99 Ca 0.00 -0.60 0.00 0.00 -1.11 0.00 0.00 59.98 58.27 1bsh h ARG 99 Cb 0.10 0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1bsh h ARG 99 CO 0.00 1.25 0.00 1.57 -3.11 0.00 0.00 179.97 179.68 1bsh h LYS 100 N 0.19 0.00 0.06 0.20 2.10 -1.16 -3.26 116.57 114.70 1bsh h LYS 100 Ca -0.14 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.19 1bsh h LYS 100 Cb 1.84 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.14 1bsh h LYS 100 CO 0.21 0.00 -1.77 0.00 -2.00 0.00 0.00 179.45 175.88 1bsh h ALA 101 N 2.12 0.57 -0.91 0.07 0.00 -1.34 -3.33 119.26 116.44 1bsh h ALA 101 Ca 0.00 -1.38 0.25 0.00 0.00 0.00 0.00 54.91 53.78 1bsh h ALA 101 Cb 0.92 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 1bsh h ALA 101 CO 0.00 1.42 0.64 1.49 0.00 0.00 0.00 179.25 182.81 1bsh h GLU 102 N 0.04 0.07 0.45 0.00 4.81 -1.34 -0.64 114.58 117.98 1bsh h GLU 102 Ca -0.32 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1bsh h GLU 102 Cb 2.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.39 1bsh h GLU 102 CO 0.10 0.05 -0.22 1.49 -0.73 0.00 0.00 179.01 179.70 1bsh h GLU 103 N 0.08 -0.58 0.00 1.92 4.57 -1.70 -1.51 114.58 117.36 1bsh h GLU 103 Ca 0.44 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 1bsh h GLU 103 Cb 1.64 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.36 1bsh h GLU 103 CO -0.04 -0.36 0.00 0.45 -1.18 0.00 0.00 179.01 177.88 1bsh h HIS 104 N -0.67 0.00 -0.23 0.92 3.86 -1.34 -0.95 115.15 116.75 1bsh h HIS 104 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1bsh h HIS 104 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1bsh h HIS 104 CO -0.03 0.00 0.00 -0.89 0.86 0.00 0.00 177.93 177.87 1bsh n ILE 105 N -2.49 0.79 -0.46 2.45 2.08 -0.58 -4.83 119.36 116.32 1bsh n ILE 105 Ca -0.01 -0.46 0.00 0.00 0.56 0.00 0.00 62.75 62.84 1bsh n ILE 105 Cb 0.12 -0.21 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1bsh n SER 106 N 0.25 0.00 -2.38 4.38 7.64 -0.36 -4.94 113.62 118.22 1bsh n SER 106 Ca 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.97 1bsh n SER 106 Cb 0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.66 1bsh n SER 106 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bsh n SER 107 N 0.00 -6.72 -3.84 6.43 7.64 -1.26 -4.70 113.62 111.17 1bsh n SER 107 Ca 0.00 1.65 -0.29 0.00 1.01 0.00 0.00 58.87 61.24 1bsh n SER 107 Cb 0.00 -4.60 -0.16 0.00 -1.01 0.00 0.00 64.21 58.44 1bsh n SER 107 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1bsh s SER 108 N -0.51 3.57 0.00 6.43 0.01 -1.26 -3.83 113.70 118.11 1bsh s SER 108 Ca -0.05 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1bsh s SER 108 Cb 0.00 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1bsh s SER 108 CO 0.13 -0.29 0.00 1.41 0.41 0.00 0.00 173.24 174.90 1bsh n HIS 109 N 4.82 0.00 -3.60 2.43 8.25 -1.26 -5.00 115.22 120.85 1bsh n HIS 109 Ca -0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.34 1bsh n HIS 109 Cb 0.45 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bsh s GLY 110 N 0.00 -0.34 0.04 -1.41 0.00 -1.26 -4.94 107.32 99.41 1bsh s GLY 110 Ca 0.00 1.23 -0.30 0.00 0.00 0.00 0.00 44.72 45.65 1bsh s GLY 110 CO 0.00 0.38 1.32 -0.55 0.00 0.00 0.00 173.10 174.25 1bsh h ASP 111 N 2.00 -0.91 -0.51 1.64 5.19 -2.03 -3.09 116.42 118.72 1bsh h ASP 111 Ca -0.17 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 1bsh h ASP 111 Cb 1.19 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1bsh h ASP 111 CO 0.25 -0.59 0.00 1.33 -3.12 0.00 0.00 179.24 177.11 1bsh n VAL 112 N -5.19 1.85 0.00 -1.35 0.24 -1.26 -4.25 118.33 108.37 1bsh n VAL 112 Ca -0.13 -1.05 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1bsh n VAL 112 Cb 0.42 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.72 0.00 0.31 -1.34 -0.08 -1.17 -1.38 116.55 113.62 1bsh n ASP 113 Ca 0.22 0.00 0.20 0.00 -1.51 0.00 0.00 54.79 53.70 1bsh n ASP 113 Cb 0.88 0.00 0.99 0.00 2.34 0.00 0.00 41.12 45.33 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1bsh h TYR 114 N 0.00 0.00 -0.69 -0.67 3.20 -1.78 -1.44 116.97 115.59 1bsh h TYR 114 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 1bsh h TYR 114 Cb 0.00 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1bsh h TYR 114 CO 0.00 0.01 0.18 0.00 -1.64 0.00 0.00 178.16 176.71 1bsh h ALA 115 N 1.99 1.01 -0.00 1.82 0.00 -1.74 -1.77 119.26 120.57 1bsh h ALA 115 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bsh h ALA 115 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bsh h ALA 115 CO 0.00 0.65 -0.24 0.94 0.00 0.00 0.00 179.25 180.60 1bsh n GLN 116 N -4.24 0.39 0.12 0.00 -0.06 -0.48 -3.75 117.38 109.36 1bsh n GLN 116 Ca 0.05 -0.17 -0.19 0.00 -2.00 0.00 0.00 57.00 54.69 1bsh n GLN 116 Cb 0.25 -1.50 -0.15 0.00 -4.06 0.00 0.00 30.24 24.78 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bsh h ALA 117 N 3.34 0.01 -0.93 1.69 0.00 -0.90 -3.27 119.26 119.20 1bsh h ALA 117 Ca 0.00 -0.90 0.18 0.00 0.00 0.00 0.00 54.91 54.19 1bsh h ALA 117 Cb 0.45 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1bsh h ALA 117 CO 0.00 0.88 0.60 0.77 0.00 0.00 0.00 179.25 181.50 1bsh h SER 118 N 0.10 0.61 0.26 0.00 0.02 -1.57 0.36 113.55 113.33 1bsh h SER 118 Ca -0.19 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1bsh h SER 118 Cb 2.05 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.54 1bsh h SER 118 CO 0.23 0.26 -0.13 0.00 -1.14 0.00 0.00 176.83 176.06 1bsh h ALA 119 N 1.61 -0.35 0.00 3.77 0.00 -1.76 -1.27 119.26 121.26 1bsh h ALA 119 Ca 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1bsh h ALA 119 Cb 0.93 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bsh h ALA 119 CO -0.25 -0.63 0.00 0.39 0.00 0.00 0.00 179.25 178.76 1bsh n GLU 120 N -5.19 0.05 -0.08 0.00 -0.58 -0.52 -2.43 120.64 111.89 1bsh n GLU 120 Ca -0.10 0.27 -0.17 0.00 -0.42 0.00 0.00 57.16 56.74 1bsh n GLU 120 Cb 0.20 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1bsh h LEU 121 N 0.00 0.00 -0.25 -4.62 5.85 0.14 -3.31 115.31 113.11 1bsh h LEU 121 Ca 0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1bsh h LEU 121 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1bsh h LEU 121 CO 0.00 1.18 0.00 0.00 -0.34 0.00 0.00 178.44 179.28 1bsh n ALA 122 N -2.94 2.52 -0.00 1.25 0.00 -0.73 -3.69 120.51 116.91 1bsh n ALA 122 Ca -0.18 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 52.98 1bsh n ALA 122 Cb 0.55 -1.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 0.42 0.65 0.00 0.00 3.64 -1.57 -3.17 116.57 116.54 1bsh h LYS 123 Ca 0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1bsh h LYS 123 Cb 0.10 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1bsh h LYS 123 CO 0.00 1.12 -0.86 0.00 -2.27 0.00 0.00 179.45 177.44 1bsh n ALA 124 N -2.56 2.84 0.74 5.00 0.00 -1.24 -3.70 120.51 121.60 1bsh n ALA 124 Ca -0.05 -0.27 0.08 0.00 0.00 0.00 0.00 53.44 53.19 1bsh n ALA 124 Cb 0.70 -1.11 0.40 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.31 0.56 0.20 0.00 -0.00 -1.20 -2.28 119.36 114.33 1bsh n ILE 125 Ca 0.02 0.14 0.08 0.00 -0.00 0.00 0.00 62.75 62.99 1bsh n ILE 125 Cb 0.48 -0.88 0.35 0.00 -0.00 0.00 0.00 39.64 39.60 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 2.74 0.95 -0.00 -1.39 0.00 -1.64 -2.58 119.26 117.34 1bsh h ALA 126 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bsh h ALA 126 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bsh h ALA 126 CO 0.00 0.34 -0.07 0.94 0.00 0.00 0.00 179.25 180.46 1bsh n GLN 127 N -3.35 0.59 0.05 0.00 7.27 -0.97 -3.50 117.38 117.48 1bsh n GLN 127 Ca 0.01 -0.13 -0.14 0.00 0.07 0.00 0.00 57.00 56.80 1bsh n GLN 127 Cb 0.50 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.51 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1bsh h LEU 128 N 0.32 0.28 -0.06 1.69 5.85 -1.62 -3.33 115.31 118.44 1bsh h LEU 128 Ca 0.00 -0.37 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 1bsh h LEU 128 Cb 0.32 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1bsh h LEU 128 CO 0.00 1.31 -0.57 -0.09 -0.34 0.00 0.00 178.44 178.75 1bsh h ARG 129 N 0.05 0.49 0.00 1.25 9.65 -1.66 -3.00 114.38 121.16 1bsh h ARG 129 Ca -0.20 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 1bsh h ARG 129 Cb 1.97 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.66 1bsh h ARG 129 CO 0.15 1.09 0.24 -0.39 2.80 0.00 0.00 179.97 183.85 1bsh h VAL 130 N 0.05 0.00 0.00 0.20 -1.51 -1.70 -2.26 116.25 111.04 1bsh h VAL 130 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1bsh h VAL 130 Cb 1.24 0.58 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1bsh h VAL 130 CO 0.12 0.00 -0.17 0.40 -1.23 0.00 0.00 177.57 176.69 1bsh h ILE 131 N 0.00 0.00 -1.33 7.19 2.04 -1.63 -3.08 117.51 120.70 1bsh h ILE 131 Ca 0.00 -0.38 0.41 0.00 1.00 0.00 0.00 64.86 65.90 1bsh h ILE 131 Cb 0.48 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.45 1bsh h ILE 131 CO 0.00 0.00 0.88 -0.33 0.00 0.00 0.00 178.15 178.70 1bsh h GLU 132 N -0.38 0.12 0.15 2.37 4.39 -1.42 0.26 114.58 120.07 1bsh h GLU 132 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1bsh h GLU 132 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1bsh h GLU 132 CO 0.00 0.08 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.79 1bsh h LEU 133 N 0.12 -0.17 -1.98 1.33 4.07 -1.58 -3.13 115.31 113.98 1bsh h LEU 133 Ca 0.77 -0.37 0.46 0.00 0.08 0.00 0.00 57.88 58.82 1bsh h LEU 133 Cb 2.49 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 44.20 1bsh h LEU 133 CO -0.32 0.41 1.14 0.71 -1.08 0.00 0.00 178.44 179.30 1bsh h THR 134 N -0.88 0.20 0.20 0.22 1.35 -0.86 0.28 112.91 113.42 1bsh h THR 134 Ca -0.02 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1bsh h THR 134 Cb 0.52 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.12 1bsh h THR 134 CO 0.03 0.00 -0.21 0.11 -0.25 0.00 0.00 175.52 175.21 1bsh h LYS 135 N 0.01 -0.43 -0.11 4.72 1.57 -1.38 -1.72 116.57 119.22 1bsh h LYS 135 Ca 0.76 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.57 1bsh h LYS 135 Cb 3.02 0.10 0.00 0.00 0.08 0.00 0.00 32.23 35.43 1bsh h LYS 135 CO -0.02 -0.29 0.00 0.36 -0.57 0.00 0.00 179.45 178.93 1bsh n LYS 136 N -5.33 1.59 -1.71 3.15 2.85 0.77 -4.01 118.16 115.47 1bsh n LYS 136 Ca -0.08 -0.89 -0.35 0.00 -1.05 0.00 0.00 58.31 55.95 1bsh n LYS 136 Cb 0.25 -1.40 0.05 0.00 -0.65 0.00 0.00 35.03 33.28 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh n ALA 137 N 0.10 6.14 0.42 0.58 0.00 -0.02 -5.12 120.51 122.61 1bsh n ALA 137 Ca 0.17 -3.80 0.05 0.00 0.00 0.00 0.00 53.44 49.85 1bsh n ALA 137 Cb 0.29 -1.57 0.04 0.00 0.00 0.00 0.00 19.45 18.21 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17