#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 3.43 0.00 0.00 0.00 -1.26 -5.00 117.12 114.30 1bsh n MET 2 Ca 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 57.70 53.66 1bsh n MET 2 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 30.94 1bsh n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1bsh n THR 3 N -0.72 0.00 -4.39 2.03 -1.04 -1.26 -4.90 114.28 103.99 1bsh n THR 3 Ca 0.47 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.25 1bsh n THR 3 Cb 0.88 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.31 1bsh n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsh n TYR 4 N 0.00 -0.36 -3.27 -1.42 4.02 0.92 -4.81 117.16 112.24 1bsh n TYR 4 Ca 0.00 -2.75 -0.08 0.00 -0.01 0.00 0.00 57.90 55.06 1bsh n TYR 4 Cb 0.00 0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1bsh s HIS 5 N -3.25 -1.00 -0.17 -0.72 5.65 -1.25 -3.08 115.29 111.47 1bsh s HIS 5 Ca 0.31 -0.33 -0.17 0.00 0.25 0.00 0.00 55.06 55.12 1bsh s HIS 5 Cb 0.02 -0.05 -0.04 0.00 -1.18 0.00 0.00 32.58 31.33 1bsh s HIS 5 CO 0.22 -1.08 0.46 -1.17 -0.65 0.00 0.00 174.74 172.52 1bsh s LEU 6 N 1.58 4.20 -0.49 8.88 1.98 -0.22 -1.73 118.68 132.88 1bsh s LEU 6 Ca 0.17 0.67 0.06 0.00 -2.89 0.00 0.00 54.13 52.13 1bsh s LEU 6 Cb -0.09 -2.63 0.21 0.00 0.66 0.00 0.00 46.19 44.33 1bsh s LEU 6 CO -0.05 -0.07 0.48 -0.67 -1.89 0.00 0.00 176.35 174.15 1bsh n ASP 7 N 4.26 0.98 -4.61 3.68 -0.08 -0.66 -2.49 116.55 117.64 1bsh n ASP 7 Ca -0.07 -2.78 -0.31 0.00 -1.51 0.00 0.00 54.79 50.12 1bsh n ASP 7 Cb 0.51 -0.63 -0.10 0.00 2.34 0.00 0.00 41.12 43.24 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bsh s VAL 8 N -0.97 3.63 0.06 5.18 0.11 -0.53 -1.67 120.40 126.21 1bsh s VAL 8 Ca 0.33 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 58.26 1bsh s VAL 8 Cb 0.08 -2.65 0.02 0.00 -1.53 0.00 0.00 36.38 32.30 1bsh s VAL 8 CO -0.14 0.24 0.31 0.68 -3.33 0.00 0.00 175.10 172.86 1bsh s VAL 9 N -1.14 0.09 -0.14 2.04 -7.23 -0.64 -0.84 120.40 112.54 1bsh s VAL 9 Ca 0.20 -0.71 -0.32 0.00 -1.81 0.00 0.00 61.98 59.34 1bsh s VAL 9 Cb -0.11 -1.00 0.13 0.00 0.56 0.00 0.00 36.38 35.96 1bsh s VAL 9 CO 0.12 -0.39 1.10 -0.94 -0.31 0.00 0.00 175.10 174.67 1bsh s SER 10 N -2.22 -0.23 0.00 4.85 1.04 -1.26 -1.43 113.70 114.45 1bsh s SER 10 Ca -0.03 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1bsh s SER 10 Cb 0.00 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1bsh s SER 10 CO -0.05 -0.34 0.00 0.00 0.98 0.00 0.00 173.24 173.83 1bsh n ALA 11 N 0.08 0.00 -0.02 5.32 0.00 -1.22 -2.05 120.51 122.61 1bsh n ALA 11 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1bsh n ALA 11 Cb 0.59 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.23 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 0.00 2.74 -3.44 0.00 -0.58 -1.26 -4.93 120.64 113.17 1bsh n GLU 12 Ca 0.00 -1.62 -0.24 0.00 -0.42 0.00 0.00 57.16 54.88 1bsh n GLU 12 Cb 0.00 -1.84 0.02 0.00 -0.57 0.00 0.00 31.44 29.05 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 0.18 -1.79 0.00 3.49 6.02 -0.87 -4.96 117.38 119.45 1bsh n GLN 13 Ca 0.18 1.32 0.00 0.00 -0.01 0.00 0.00 57.00 58.49 1bsh n GLN 13 Cb 0.82 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.83 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1bsh n GLN 14 N -1.26 0.00 0.00 -1.09 7.27 -1.26 -4.78 117.38 116.26 1bsh n GLN 14 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.95 1bsh n GLN 14 Cb 0.63 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.28 1bsh n GLN 14 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1bsh n MET 15 N 0.00 0.00 -3.92 3.69 1.56 -0.02 -4.66 117.12 113.78 1bsh n MET 15 Ca 0.00 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.14 1bsh n MET 15 Cb 0.00 0.00 -0.16 0.00 2.15 0.00 0.00 33.22 35.21 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 -0.73 0.00 0.00 175.97 175.36 1bsh s PHE 16 N -0.68 2.07 -0.44 1.12 5.36 -0.48 -4.95 117.98 119.98 1bsh s PHE 16 Ca 0.00 -1.43 0.03 0.00 -0.96 0.00 0.00 56.93 54.57 1bsh s PHE 16 Cb 0.00 -1.46 0.15 0.00 -0.34 0.00 0.00 43.02 41.37 1bsh s PHE 16 CO 0.00 -0.70 0.30 -1.54 -1.46 0.00 0.00 175.22 171.81 1bsh s SER 17 N 1.51 2.88 0.00 6.13 1.04 -1.14 -1.45 113.70 122.67 1bsh s SER 17 Ca -0.02 -2.80 0.00 0.00 0.48 0.00 0.00 55.95 53.61 1bsh s SER 17 Cb -0.17 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.21 1bsh s SER 17 CO -0.07 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1bsh n GLY 18 N 3.26 1.30 3.93 7.32 0.00 -1.04 -4.98 105.19 114.99 1bsh n GLY 18 Ca 0.18 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 3.96 0.00 0.99 1.43 -1.26 -1.05 118.68 122.75 1bsh s LEU 19 Ca 0.00 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1bsh s LEU 19 Cb 0.00 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1bsh s LEU 19 CO 0.00 -0.33 0.00 1.33 0.23 0.00 0.00 176.35 177.58 1bsh n VAL 20 N -1.80 0.00 0.00 -1.59 0.24 -1.18 -4.35 118.33 109.65 1bsh n VAL 20 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1bsh n VAL 20 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1bsh n GLU 21 N 0.00 0.00 -3.40 7.34 2.13 -0.88 -0.06 120.64 125.77 1bsh n GLU 21 Ca 0.00 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.58 1bsh n GLU 21 Cb 0.00 -0.12 -0.10 0.00 0.27 0.00 0.00 31.44 31.49 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 -1.00 0.64 -0.12 5.31 -0.14 -1.16 -4.49 119.74 118.78 1bsh s LYS 22 Ca 0.00 -1.29 -0.08 0.00 -1.36 0.00 0.00 55.97 53.24 1bsh s LYS 22 Cb 0.00 -1.10 -0.04 0.00 -1.68 0.00 0.00 37.83 35.00 1bsh s LYS 22 CO 0.00 -1.23 0.17 -1.50 -0.76 0.00 0.00 175.35 172.02 1bsh s ILE 23 N 1.03 5.45 0.32 2.17 2.07 -0.99 -0.72 121.20 130.53 1bsh s ILE 23 Ca 0.20 0.28 0.08 0.00 -1.41 0.00 0.00 60.65 59.80 1bsh s ILE 23 Cb -0.16 -3.44 -0.06 0.00 0.13 0.00 0.00 42.46 38.92 1bsh s ILE 23 CO -0.03 0.59 -0.05 -1.10 -1.91 0.00 0.00 174.94 172.44 1bsh s GLN 24 N -0.86 1.72 -0.15 3.50 -0.21 0.12 -0.61 119.66 123.16 1bsh s GLN 24 Ca 0.15 -1.90 -0.31 0.00 0.02 0.00 0.00 55.36 53.33 1bsh s GLN 24 Cb -0.12 -1.41 0.13 0.00 1.00 0.00 0.00 33.01 32.61 1bsh s GLN 24 CO 0.04 0.05 1.08 0.54 -2.12 0.00 0.00 175.29 174.88 1bsh s VAL 25 N -2.84 0.00 0.00 1.09 0.11 -1.26 -2.56 120.40 114.94 1bsh s VAL 25 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1bsh s VAL 25 Cb 0.04 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1bsh s VAL 25 CO 0.15 0.00 0.00 1.07 -3.33 0.00 0.00 175.10 172.99 1bsh n THR 26 N 0.26 0.00 0.00 5.04 5.66 -1.15 -4.00 114.28 120.08 1bsh n THR 26 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1bsh n THR 26 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1bsh n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bsh n GLY 27 N -0.01 -1.76 3.19 1.09 0.00 -1.15 -2.56 105.19 103.99 1bsh n GLY 27 Ca 0.00 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.54 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bsh s SER 28 N -4.00 1.43 -0.60 1.61 1.04 -1.26 -4.93 113.70 106.99 1bsh s SER 28 Ca 0.00 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.41 1bsh s SER 28 Cb 0.00 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.17 1bsh s SER 28 CO 0.00 -0.36 0.65 -0.62 0.98 0.00 0.00 173.24 173.89 1bsh n GLU 29 N 0.12 -1.82 0.00 4.02 -0.58 -1.26 -4.31 120.64 116.80 1bsh n GLU 29 Ca -0.13 1.76 0.00 0.00 -0.42 0.00 0.00 57.16 58.37 1bsh n GLU 29 Cb 0.60 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.92 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bsh n GLY 30 N -1.06 0.05 2.45 0.62 0.00 -1.26 -4.57 105.19 101.42 1bsh n GLY 30 Ca 0.04 -1.43 -0.16 0.00 0.00 0.00 0.00 46.02 44.47 1bsh n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bsh n GLU 31 N 0.74 1.39 -4.33 1.61 1.02 -1.26 -4.24 120.64 115.56 1bsh n GLU 31 Ca 0.00 -3.52 -0.25 0.00 -0.02 0.00 0.00 57.16 53.36 1bsh n GLU 31 Cb 0.00 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.73 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bsh s LEU 32 N -2.86 2.96 0.46 -4.62 1.43 -1.26 -4.94 118.68 109.85 1bsh s LEU 32 Ca 0.36 -0.68 0.07 0.00 -1.03 0.00 0.00 54.13 52.85 1bsh s LEU 32 Cb 0.39 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 45.07 1bsh s LEU 32 CO -0.05 0.06 0.64 -0.83 0.23 0.00 0.00 176.35 176.40 1bsh s GLY 33 N -3.20 1.90 -0.22 -3.19 0.00 -1.26 -4.20 107.32 97.15 1bsh s GLY 33 Ca 0.28 -1.72 -0.10 0.00 0.00 0.00 0.00 44.72 43.17 1bsh s GLY 33 CO 0.16 -1.48 0.16 -0.42 0.00 0.00 0.00 173.10 171.52 1bsh s ILE 34 N -2.46 5.38 0.26 0.90 -1.09 0.22 -4.87 121.20 119.54 1bsh s ILE 34 Ca 0.57 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 1bsh s ILE 34 Cb -0.09 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1bsh s ILE 34 CO 0.35 0.38 0.10 -0.72 -1.23 0.00 0.00 174.94 173.82 1bsh s TYR 35 N 0.77 1.54 -0.96 3.97 1.13 -1.26 -2.34 117.35 120.20 1bsh s TYR 35 Ca 0.08 -1.19 -0.24 0.00 -1.41 0.00 0.00 57.07 54.31 1bsh s TYR 35 Cb -0.12 -0.90 -0.05 0.00 -1.10 0.00 0.00 41.96 39.78 1bsh s TYR 35 CO 0.02 -0.34 1.93 -1.25 -2.51 0.00 0.00 175.55 173.39 1bsh s PRO 36 N -4.02 2.58 0.00 -3.49 0.04 -1.26 -1.74 135.00 127.11 1bsh s PRO 36 Ca 0.38 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1bsh s PRO 36 Cb 0.08 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1bsh s PRO 36 CO 0.14 -3.45 0.00 0.41 0.04 0.00 0.00 177.00 174.14 1bsh n GLY 37 N 6.66 1.46 3.75 0.56 0.00 -1.26 -5.03 105.19 111.33 1bsh n GLY 37 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 1bsh n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 38 N -1.53 2.22 0.42 1.61 2.46 -0.71 -4.85 115.29 114.91 1bsh s HIS 38 Ca 0.00 1.38 -0.21 0.00 0.47 0.00 0.00 55.06 56.70 1bsh s HIS 38 Cb 0.00 -3.81 -0.15 0.00 -0.13 0.00 0.00 32.58 28.49 1bsh s HIS 38 CO 0.00 -2.98 0.11 0.00 -2.47 0.00 0.00 174.74 169.40 1bsh n ALA 39 N -1.20 -2.87 -1.63 1.58 0.00 -1.26 -4.73 120.51 110.40 1bsh n ALA 39 Ca 0.11 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1bsh n ALA 39 Cb 0.45 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 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 1.28 2.77 -3.24 0.00 -0.04 -1.26 -4.81 135.00 129.70 1bsh n PRO 40 Ca 0.11 -2.48 -0.39 0.00 -0.04 0.00 0.00 63.50 60.70 1bsh n PRO 40 Cb 0.41 -3.21 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 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 1.92 4.20 -0.22 1.53 1.43 -1.26 -4.90 118.68 121.39 1bsh s LEU 41 Ca 0.50 0.78 0.14 0.00 -1.03 0.00 0.00 54.13 54.51 1bsh s LEU 41 Cb 0.14 -2.75 0.48 0.00 0.03 0.00 0.00 46.19 44.09 1bsh s LEU 41 CO -0.07 -0.12 1.39 0.00 0.23 0.00 0.00 176.35 177.78 1bsh n LEU 42 N 4.35 3.72 0.00 1.79 -0.00 -1.26 -2.64 117.00 122.96 1bsh n LEU 42 Ca -0.05 -3.36 0.00 0.00 -0.00 0.00 0.00 56.01 52.60 1bsh n LEU 42 Cb 0.51 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1bsh n LEU 42 CO 0.43 0.93 0.00 0.35 -0.00 0.00 0.00 177.39 179.10 1bsh n THR 43 N -0.91 0.00 -4.44 1.47 -2.24 -1.25 -4.63 114.28 102.28 1bsh n THR 43 Ca 0.25 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.81 1bsh n THR 43 Cb 0.91 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 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 -3.44 2.41 0.00 6.98 0.00 -1.26 -2.52 121.76 123.93 1bsh s ALA 44 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1bsh s ALA 44 Cb 0.00 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1bsh s ALA 44 CO 0.00 -0.35 0.00 -0.89 0.00 0.00 0.00 175.76 174.52 1bsh n ILE 45 N -0.71 0.00 -4.65 0.00 2.08 -1.10 -4.90 119.36 110.07 1bsh n ILE 45 Ca -0.03 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.97 1bsh n ILE 45 Cb 0.66 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 39.38 1bsh n ILE 45 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1bsh s LYS 46 N 2.46 2.81 0.00 0.38 3.01 -1.26 -4.89 119.74 122.25 1bsh s LYS 46 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 55.97 54.18 1bsh s LYS 46 Cb 0.00 -2.29 0.00 0.00 -1.01 0.00 0.00 37.83 34.53 1bsh s LYS 46 CO 0.00 -0.02 0.00 -0.35 0.51 0.00 0.00 175.35 175.49 1bsh n PRO 47 N 4.07 1.13 0.00 -1.68 -0.04 -1.26 -4.35 135.00 132.87 1bsh n PRO 47 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1bsh n PRO 47 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1bsh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 48 N 4.81 1.00 3.57 0.55 0.00 -0.75 -2.95 105.19 111.41 1bsh n GLY 48 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 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 1.29 0.66 -3.65 1.61 0.00 -1.06 -2.24 117.12 113.73 1bsh n MET 49 Ca 0.00 -2.95 -0.14 0.00 0.00 0.00 0.00 57.70 54.61 1bsh n MET 49 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 33.22 33.07 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 -2.37 0.00 -0.18 3.17 1.01 0.16 -2.96 121.20 120.03 1bsh s ILE 50 Ca 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 1bsh s ILE 50 Cb -0.04 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.60 1bsh s ILE 50 CO 0.31 -0.00 -0.01 -0.13 0.00 0.00 0.00 174.94 175.10 1bsh s ARG 51 N 0.24 1.08 0.33 2.79 1.81 -1.06 -1.39 118.95 122.75 1bsh s ARG 51 Ca -0.01 -0.53 0.09 0.00 -1.72 0.00 0.00 55.73 53.57 1bsh s ARG 51 Cb -0.04 -2.10 -0.06 0.00 -0.45 0.00 0.00 34.95 32.31 1bsh s ARG 51 CO 0.01 -0.55 -0.04 0.42 -0.68 0.00 0.00 175.30 174.47 1bsh s ILE 52 N 1.70 2.53 -0.17 1.52 1.01 -0.66 0.10 121.20 127.24 1bsh s ILE 52 Ca -0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 60.65 58.54 1bsh s ILE 52 Cb -0.17 -2.71 0.05 0.00 0.01 0.00 0.00 42.46 39.65 1bsh s ILE 52 CO -0.07 -0.23 0.01 -0.69 0.00 0.00 0.00 174.94 173.96 1bsh s VAL 53 N -2.54 0.67 0.58 2.92 1.01 0.10 -2.34 120.40 120.80 1bsh s VAL 53 Ca 0.33 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 1bsh s VAL 53 Cb -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1bsh s VAL 53 CO 0.18 -0.07 1.20 -0.54 0.00 0.00 0.00 175.10 175.87 1bsh s LYS 54 N 1.81 3.05 -0.77 2.72 1.02 -1.22 -2.08 119.74 124.26 1bsh s LYS 54 Ca -0.00 1.80 -0.24 0.00 0.02 0.00 0.00 55.97 57.55 1bsh s LYS 54 Cb -0.16 -1.95 -0.17 0.00 -0.52 0.00 0.00 37.83 35.03 1bsh s LYS 54 CO -0.07 -1.14 2.44 0.94 -0.92 0.00 0.00 175.35 176.60 1bsh n GLN 55 N -1.51 0.50 -2.00 1.68 7.27 -1.26 -3.42 117.38 118.64 1bsh n GLN 55 Ca 0.13 -0.23 -0.01 0.00 0.07 0.00 0.00 57.00 56.96 1bsh n GLN 55 Cb 0.50 -2.67 -0.01 0.00 2.41 0.00 0.00 30.24 30.47 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 13.72 -1.84 0.00 3.69 -0.00 -1.26 -5.05 115.22 124.47 1bsh n HIS 56 Ca 0.51 0.96 0.00 0.00 -0.00 0.00 0.00 57.72 59.19 1bsh n HIS 56 Cb 0.33 -2.57 0.00 0.00 -0.00 0.00 0.00 29.99 27.75 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 0.52 -0.03 0.00 1.57 0.00 -1.22 -5.14 105.19 100.90 1bsh n GLY 57 Ca -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.23 -1.76 -4.25 1.61 -0.00 -1.26 -4.57 115.22 103.76 1bsh n HIS 58 Ca 0.00 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.99 1bsh n HIS 58 Cb 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.74 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1bsh s GLU 59 N -1.87 0.83 -0.03 1.57 -1.05 -1.26 -3.45 118.70 113.45 1bsh s GLU 59 Ca 0.00 -0.80 0.05 0.00 -0.15 0.00 0.00 54.97 54.07 1bsh s GLU 59 Cb 0.00 -0.81 -0.01 0.00 -0.44 0.00 0.00 34.13 32.87 1bsh s GLU 59 CO 0.00 0.19 -0.18 -2.00 0.95 0.00 0.00 175.26 174.22 1bsh s GLU 60 N -1.36 1.64 -0.08 -4.83 2.12 -0.99 -4.94 118.70 110.27 1bsh s GLU 60 Ca -0.01 -0.66 -0.00 0.00 0.36 0.00 0.00 54.97 54.66 1bsh s GLU 60 Cb -0.09 -1.52 -0.03 0.00 0.26 0.00 0.00 34.13 32.75 1bsh s GLU 60 CO 0.01 0.35 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.45 1bsh s PHE 61 N -0.27 3.02 0.27 5.30 -0.71 -1.25 -1.65 117.98 122.69 1bsh s PHE 61 Ca 0.03 0.07 0.11 0.00 -1.04 0.00 0.00 56.93 56.10 1bsh s PHE 61 Cb -0.09 -1.75 -0.05 0.00 -1.21 0.00 0.00 43.02 39.92 1bsh s PHE 61 CO 0.00 0.36 -0.18 0.42 -1.34 0.00 0.00 175.22 174.49 1bsh s ILE 62 N -0.77 2.32 0.03 -4.49 1.01 -0.49 -3.95 121.20 114.87 1bsh s ILE 62 Ca 0.12 -2.36 0.00 0.00 0.00 0.00 0.00 60.65 58.41 1bsh s ILE 62 Cb -0.11 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1bsh s ILE 62 CO 0.02 -0.42 -0.04 -0.47 0.00 0.00 0.00 174.94 174.04 1bsh s TYR 63 N -2.60 0.36 -0.02 3.97 6.14 -1.26 0.36 117.35 124.30 1bsh s TYR 63 Ca 0.29 -0.60 0.00 0.00 0.64 0.00 0.00 57.07 57.40 1bsh s TYR 63 Cb -0.04 -0.25 0.00 0.00 0.42 0.00 0.00 41.96 42.09 1bsh s TYR 63 CO 0.14 -0.20 0.00 1.47 0.64 0.00 0.00 175.55 177.60 1bsh n LEU 64 N 1.36 0.00 0.00 6.97 -0.00 -0.95 -2.58 117.00 121.80 1bsh n LEU 64 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1bsh n LEU 64 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1bsh n LEU 64 CO 0.21 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.40 1bsh n SER 65 N 0.01 0.48 0.00 1.45 7.64 -1.23 -1.81 113.62 120.16 1bsh n SER 65 Ca 0.00 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 58.96 1bsh n SER 65 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsh n GLY 66 N 1.20 1.36 0.00 0.23 0.00 -1.26 -4.38 105.19 102.33 1bsh n GLY 66 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 3.38 3.29 -0.02 0.00 -1.26 -4.12 105.19 106.45 1bsh n GLY 67 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 -0.02 -0.00 -0.61 2.07 -1.12 -2.72 121.20 118.79 1bsh s ILE 68 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1bsh s ILE 68 Cb 0.00 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1bsh s ILE 68 CO 0.00 0.04 0.00 -0.11 -1.91 0.00 0.00 174.94 172.96 1bsh n LEU 69 N 4.23 0.00 -3.81 8.50 -0.00 -1.05 -2.97 117.00 121.90 1bsh n LEU 69 Ca -0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.66 1bsh n LEU 69 Cb 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.86 1bsh n LEU 69 CO 0.08 0.00 -0.11 -1.61 -0.00 0.00 0.00 177.39 175.75 1bsh s GLU 70 N -0.18 0.34 -0.18 1.96 2.02 -1.19 -3.77 118.70 117.71 1bsh s GLU 70 Ca 0.00 0.14 -0.04 0.00 0.02 0.00 0.00 54.97 55.09 1bsh s GLU 70 Cb 0.00 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 1bsh s GLU 70 CO 0.00 -0.06 -0.03 0.54 0.02 0.00 0.00 175.26 175.73 1bsh s VAL 71 N -0.27 3.80 0.48 2.63 0.11 -1.08 -2.95 120.40 123.11 1bsh s VAL 71 Ca -0.04 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1bsh s VAL 71 Cb -0.03 -2.69 0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1bsh s VAL 71 CO 0.01 0.46 0.49 -1.10 -3.33 0.00 0.00 175.10 171.63 1bsh s GLN 72 N 0.71 2.45 0.00 1.54 1.11 -1.04 -4.55 119.66 119.87 1bsh s GLN 72 Ca -0.02 -1.64 0.17 0.00 0.01 0.00 0.00 55.36 53.88 1bsh s GLN 72 Cb -0.14 -2.41 1.02 0.00 -1.01 0.00 0.00 33.01 30.47 1bsh s GLN 72 CO 0.02 -0.44 1.59 -0.35 0.01 0.00 0.00 175.29 176.11 1bsh n PRO 73 N -1.78 0.90 -2.15 2.91 -0.04 -1.26 -3.80 135.00 129.78 1bsh n PRO 73 Ca 0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 1bsh n PRO 73 Cb 0.62 -1.30 0.07 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.63 0.90 0.00 0.55 0.00 -1.26 -4.36 105.19 101.65 1bsh n GLY 74 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1bsh n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bsh n ASN 75 N -0.93 0.00 -4.52 1.61 5.15 -1.25 -3.99 115.26 111.33 1bsh n ASN 75 Ca -0.12 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.46 1bsh n ASN 75 Cb 0.73 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.87 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bsh s VAL 76 N 0.00 5.17 0.26 3.44 1.01 -0.70 -2.50 120.40 127.06 1bsh s VAL 76 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 61.90 1bsh s VAL 76 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1bsh s VAL 76 CO 0.00 0.04 -0.17 0.28 0.00 0.00 0.00 175.10 175.26 1bsh s THR 77 N 1.71 2.67 0.00 3.92 -1.32 -1.15 -1.65 115.64 119.82 1bsh s THR 77 Ca 0.06 -2.21 0.00 0.00 -1.21 0.00 0.00 61.69 58.33 1bsh s THR 77 Cb -0.17 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1bsh s THR 77 CO 0.10 -0.33 0.00 0.55 -2.21 0.00 0.00 174.62 172.73 1bsh n VAL 78 N -0.47 0.00 -4.60 5.08 3.14 -0.67 -3.14 118.33 117.67 1bsh n VAL 78 Ca -0.07 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.00 1bsh n VAL 78 Cb 0.59 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.25 1bsh n VAL 78 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1bsh s LEU 79 N 0.00 2.68 0.00 6.55 0.20 -1.16 -1.63 118.68 125.32 1bsh s LEU 79 Ca 0.00 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.41 1bsh s LEU 79 Cb 0.00 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1bsh s LEU 79 CO 0.00 0.25 0.00 0.00 -0.29 0.00 0.00 176.35 176.31 1bsh n ALA 80 N 1.46 0.00 -0.09 5.97 0.00 -0.51 -2.79 120.51 124.54 1bsh n ALA 80 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1bsh n ALA 80 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.71 2.13 -4.76 0.00 9.92 -1.26 -4.36 116.55 117.51 1bsh n ASP 81 Ca 0.00 0.03 -0.29 0.00 -0.53 0.00 0.00 54.79 54.00 1bsh n ASP 81 Cb 0.00 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.03 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 -2.35 4.40 -0.35 -3.53 2.01 -1.26 -3.45 115.64 111.11 1bsh s THR 82 Ca -0.25 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 60.85 1bsh s THR 82 Cb 0.08 -3.16 0.16 0.00 0.01 0.00 0.00 72.50 69.58 1bsh s THR 82 CO 0.38 0.04 0.42 0.00 -0.69 0.00 0.00 174.62 174.76 1bsh s ALA 83 N -1.51 -0.92 -0.92 7.40 0.00 -1.26 -3.54 121.76 121.01 1bsh s ALA 83 Ca 0.29 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 1bsh s ALA 83 Cb -0.11 -2.14 0.30 0.00 0.00 0.00 0.00 23.12 21.17 1bsh s ALA 83 CO 0.22 -2.01 1.34 -0.89 0.00 0.00 0.00 175.76 174.42 1bsh n ILE 84 N 4.65 4.62 -0.92 0.00 5.41 -1.06 -4.95 119.36 127.11 1bsh n ILE 84 Ca 0.07 -5.76 -0.35 0.00 1.00 0.00 0.00 62.75 57.71 1bsh n ILE 84 Cb 0.48 -1.89 0.07 0.00 -0.71 0.00 0.00 39.64 37.59 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 0.73 -0.17 -1.55 0.38 0.63 -1.26 -4.31 116.66 111.11 1bsh n ARG 85 Ca 0.32 -0.03 -0.39 0.00 -0.92 0.00 0.00 57.85 56.82 1bsh n ARG 85 Cb 0.34 -1.32 0.03 0.00 0.45 0.00 0.00 32.46 31.95 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bsh n GLY 86 N 2.75 -0.79 4.08 5.14 0.00 -1.25 -1.06 105.19 114.05 1bsh n GLY 86 Ca 0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1bsh n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLN 87 N -0.17 -1.01 -0.27 1.61 10.64 -1.26 -4.73 117.38 122.19 1bsh n GLN 87 Ca 0.11 0.11 0.05 0.00 -1.83 0.00 0.00 57.00 55.44 1bsh n GLN 87 Cb 0.44 -4.36 0.14 0.00 -0.86 0.00 0.00 30.24 25.60 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1bsh h ASP 88 N -0.70 -0.52 0.00 2.61 3.58 -1.37 -3.41 116.42 116.61 1bsh h ASP 88 Ca -0.49 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1bsh h ASP 88 Cb 1.24 0.41 0.00 0.00 1.72 0.00 0.00 39.33 42.71 1bsh h ASP 88 CO 0.73 -0.23 0.00 -0.11 -2.88 0.00 0.00 179.24 176.75 1bsh n LEU 89 N -5.43 -1.51 0.00 2.28 7.94 -1.26 -5.02 117.00 114.00 1bsh n LEU 89 Ca 0.13 0.52 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1bsh n LEU 89 Cb 0.47 1.55 0.00 0.00 0.53 0.00 0.00 43.42 45.97 1bsh n LEU 89 CO 0.01 -0.36 0.00 0.47 -1.11 0.00 0.00 177.39 176.40 1bsh n ASP 90 N -3.24 1.02 0.00 1.96 8.00 -1.26 -5.09 116.55 117.94 1bsh n ASP 90 Ca 0.00 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.79 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 -1.84 -0.39 0.00 0.00 177.20 174.97 1bsh n GLU 91 N 0.00 0.00 0.07 -1.24 0.28 -1.26 -4.72 120.64 113.76 1bsh n GLU 91 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1bsh n GLU 91 Cb 0.00 -0.38 0.09 0.00 1.43 0.00 0.00 31.44 32.58 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 0.77 0.00 -1.84 0.00 -2.01 -2.63 119.26 113.55 1bsh h ALA 92 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bsh h ALA 92 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bsh h ALA 92 CO 0.00 0.74 0.00 -2.13 0.00 0.00 0.00 179.25 177.86 1bsh n ARG 93 N -3.87 0.12 0.05 0.00 0.63 -1.26 -2.11 116.66 110.22 1bsh n ARG 93 Ca -0.03 0.15 0.12 0.00 -0.92 0.00 0.00 57.85 57.17 1bsh n ARG 93 Cb 0.64 -1.50 0.12 0.00 0.45 0.00 0.00 32.46 32.17 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bsh n ALA 94 N -1.40 3.11 0.24 5.13 0.00 -0.99 -3.77 120.51 122.83 1bsh n ALA 94 Ca 0.06 -0.31 0.12 0.00 0.00 0.00 0.00 53.44 53.32 1bsh n ALA 94 Cb 0.18 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.48 -3.28 114.93 113.04 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 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1bsh h MET 95 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 1bsh n GLU 96 N -2.53 0.82 0.13 1.72 -0.58 -1.23 -3.32 120.64 115.64 1bsh n GLU 96 Ca 0.01 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.53 1bsh n GLU 96 Cb 0.52 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.73 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bsh h ALA 97 N 3.78 -0.07 0.00 0.62 0.00 -1.75 -2.86 119.26 118.97 1bsh h ALA 97 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 1bsh h ALA 97 Cb 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1bsh h ALA 97 CO 0.00 0.79 -0.64 -0.22 0.00 0.00 0.00 179.25 179.18 1bsh h LYS 98 N 0.13 0.00 -0.22 0.00 3.64 -1.78 -0.34 116.57 118.00 1bsh h LYS 98 Ca -0.23 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.04 1bsh h LYS 98 Cb 2.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1bsh h LYS 98 CO 0.25 0.64 -0.29 -0.09 -2.27 0.00 0.00 179.45 177.69 1bsh h ARG 99 N 0.00 0.59 0.00 1.90 2.43 -1.61 -0.09 114.38 117.59 1bsh h ARG 99 Ca -0.01 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 58.76 1bsh h ARG 99 Cb 1.31 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1bsh h ARG 99 CO 0.08 0.94 -0.38 0.87 -1.51 0.00 0.00 179.97 179.97 1bsh h LYS 100 N 0.28 0.00 0.00 0.20 1.57 -1.52 -3.17 116.57 113.94 1bsh h LYS 100 Ca 0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1bsh h LYS 100 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1bsh h LYS 100 CO 0.07 0.29 -0.35 0.00 -0.57 0.00 0.00 179.45 178.88 1bsh h ALA 101 N 1.70 0.82 0.00 3.86 0.00 -0.96 -3.15 119.26 121.52 1bsh h ALA 101 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bsh h ALA 101 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bsh h ALA 101 CO 0.04 0.28 0.00 1.49 0.00 0.00 0.00 179.25 181.06 1bsh h GLU 102 N 0.00 0.00 0.00 0.00 4.81 -0.97 -1.87 114.58 116.54 1bsh h GLU 102 Ca -0.01 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 1bsh h GLU 102 Cb 1.17 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1bsh h GLU 102 CO 0.03 0.00 -1.41 1.49 -0.73 0.00 0.00 179.01 178.39 1bsh h GLU 103 N 0.00 0.00 0.03 1.92 4.57 -1.69 -2.98 114.58 116.43 1bsh h GLU 103 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1bsh h GLU 103 Cb 0.29 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1bsh h GLU 103 CO 0.00 0.43 -0.48 0.45 -1.18 0.00 0.00 179.01 178.23 1bsh h HIS 104 N 0.00 0.43 -0.27 0.92 3.86 -1.46 -3.20 115.15 115.43 1bsh h HIS 104 Ca -0.18 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1bsh h HIS 104 Cb 1.73 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 30.16 1bsh h HIS 104 CO 0.00 1.10 0.00 -0.89 0.86 0.00 0.00 177.93 179.00 1bsh n ILE 105 N -4.32 0.52 -0.19 2.45 5.41 -0.77 -4.41 119.36 118.04 1bsh n ILE 105 Ca -0.11 -0.41 -0.12 0.00 1.00 0.00 0.00 62.75 63.11 1bsh n ILE 105 Cb 0.64 0.06 -0.09 0.00 -0.71 0.00 0.00 39.64 39.54 1bsh n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1bsh h SER 106 N 1.63 -1.78 -1.20 4.38 0.02 -1.51 -3.41 113.55 111.67 1bsh h SER 106 Ca 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1bsh h SER 106 Cb 0.53 0.75 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1bsh h SER 106 CO 0.04 -0.33 0.00 -1.54 -1.14 0.00 0.00 176.83 173.86 1bsh n SER 107 N -5.13 0.00 0.00 3.07 3.41 -1.26 -5.09 113.62 108.62 1bsh n SER 107 Ca -0.02 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1bsh n SER 107 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1bsh n SER 107 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bsh n SER 108 N -0.25 0.00 -3.17 4.04 2.88 -1.26 -5.10 113.62 110.75 1bsh n SER 108 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1bsh n SER 108 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1bsh n SER 108 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1bsh s HIS 109 N 0.00 -1.71 0.00 0.66 3.76 -1.26 -5.10 115.29 111.64 1bsh s HIS 109 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.43 1bsh s HIS 109 Cb 0.00 0.31 0.00 0.00 1.11 0.00 0.00 32.58 34.00 1bsh s HIS 109 CO 0.00 -1.10 0.00 0.41 -0.85 0.00 0.00 174.74 173.20 1bsh n GLY 110 N 4.73 3.12 0.21 -2.22 0.00 -1.26 -4.73 105.19 105.03 1bsh n GLY 110 Ca 0.09 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 0.82 0.00 1.61 3.32 -1.98 -3.34 116.42 116.85 1bsh h ASP 111 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1bsh h ASP 111 Cb 0.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1bsh h ASP 111 CO 0.00 1.25 -0.13 1.33 -1.72 0.00 0.00 179.24 179.97 1bsh n VAL 112 N -4.11 0.00 0.00 -1.35 0.24 -1.26 -4.66 118.33 107.19 1bsh n VAL 112 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1bsh n VAL 112 Cb 0.61 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1bsh n VAL 112 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bsh n ASP 113 N -0.82 0.00 0.21 -1.34 9.92 -1.26 -0.28 116.55 122.97 1bsh n ASP 113 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1bsh n ASP 113 Cb 0.06 0.00 0.24 0.00 -0.64 0.00 0.00 41.12 40.78 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1bsh h TYR 114 N 0.00 0.00 0.00 1.24 3.20 -1.85 -2.96 116.97 116.59 1bsh h TYR 114 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1bsh h TYR 114 CO 0.00 0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.65 1bsh h ALA 115 N 1.87 1.00 0.12 1.82 0.00 -1.67 -1.34 119.26 121.06 1bsh h ALA 115 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1bsh h ALA 115 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1bsh h ALA 115 CO 0.02 0.00 -1.58 1.96 0.00 0.00 0.00 179.25 179.65 1bsh h GLN 116 N 0.00 0.24 0.00 0.00 4.20 -0.47 -3.26 115.11 115.83 1bsh h GLN 116 Ca 0.00 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1bsh h GLN 116 Cb 0.06 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1bsh h GLN 116 CO 0.00 1.10 0.00 0.00 -0.67 0.00 0.00 178.83 179.26 1bsh n ALA 117 N -2.69 1.34 -0.03 3.87 0.00 -0.51 -2.56 120.51 119.93 1bsh n ALA 117 Ca -0.18 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1bsh n ALA 117 Cb 1.05 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 1bsh n ALA 117 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bsh h SER 118 N 0.00 0.08 -0.10 0.00 0.02 -1.58 -2.99 113.55 108.97 1bsh h SER 118 Ca 0.00 -0.57 0.03 0.00 -0.84 0.00 0.00 61.79 60.41 1bsh h SER 118 Cb 0.13 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1bsh h SER 118 CO 0.00 0.63 0.12 0.00 -1.14 0.00 0.00 176.83 176.44 1bsh h ALA 119 N 0.45 1.69 -0.17 3.77 0.00 -1.69 -1.91 119.26 121.40 1bsh h ALA 119 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1bsh h ALA 119 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bsh h ALA 119 CO 0.01 -0.17 0.02 0.93 0.00 0.00 0.00 179.25 180.04 1bsh h GLU 120 N 0.00 0.28 -0.28 0.00 4.39 -1.61 -0.51 114.58 116.85 1bsh h GLU 120 Ca 0.05 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.74 1bsh h GLU 120 Cb 0.28 -0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1bsh h GLU 120 CO -0.00 0.46 -0.17 1.25 -1.16 0.00 0.00 179.01 179.39 1bsh h LEU 121 N 0.06 -0.57 -1.61 1.33 5.85 -1.34 0.20 115.31 119.23 1bsh h LEU 121 Ca 0.05 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1bsh h LEU 121 Cb 0.32 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1bsh h LEU 121 CO 0.00 -0.21 -0.02 0.00 -0.34 0.00 0.00 178.44 177.88 1bsh h ALA 122 N 1.03 1.01 0.00 1.25 0.00 -1.54 -2.09 119.26 118.92 1bsh h ALA 122 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bsh h ALA 122 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bsh h ALA 122 CO -0.37 0.02 0.00 1.17 0.00 0.00 0.00 179.25 180.07 1bsh n LYS 123 N -3.12 0.21 0.02 0.00 4.81 0.62 -2.84 118.16 117.86 1bsh n LYS 123 Ca 0.00 0.22 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1bsh n LYS 123 Cb 0.29 -1.77 0.23 0.00 0.02 0.00 0.00 35.03 33.81 1bsh n LYS 123 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh n ALA 124 N -1.74 3.24 1.47 3.14 0.00 -0.65 -3.59 120.51 122.39 1bsh n ALA 124 Ca 0.05 -0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.33 1bsh n ALA 124 Cb 0.38 -1.15 0.54 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.74 0.00 0.06 0.00 -0.00 -1.13 -3.65 119.36 112.91 1bsh n ILE 125 Ca 0.05 -0.16 0.03 0.00 -0.00 0.00 0.00 62.75 62.66 1bsh n ILE 125 Cb 0.38 0.28 -0.05 0.00 -0.00 0.00 0.00 39.64 40.25 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 4.02 0.64 -0.02 -1.39 0.00 -1.70 -3.24 119.26 117.58 1bsh h ALA 126 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 54.10 1bsh h ALA 126 Cb 0.43 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1bsh h ALA 126 CO 0.00 0.70 -0.80 -0.56 0.00 0.00 0.00 179.25 178.59 1bsh h GLN 127 N 0.00 0.20 -0.00 0.00 3.07 -1.76 -2.96 115.11 113.66 1bsh h GLN 127 Ca -0.11 -0.19 0.00 0.00 0.09 0.00 0.00 58.65 58.44 1bsh h GLN 127 Cb 1.44 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.05 1bsh h GLN 127 CO 0.04 0.89 -0.14 -0.11 0.09 0.00 0.00 178.83 179.60 1bsh n LEU 128 N -3.72 0.35 0.14 0.06 0.00 -1.25 -3.44 117.00 109.13 1bsh n LEU 128 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 56.01 56.12 1bsh n LEU 128 Cb 0.75 -0.27 0.07 0.00 0.00 0.00 0.00 43.42 43.97 1bsh n LEU 128 CO 0.47 0.07 0.46 0.03 0.00 0.00 0.00 177.39 178.42 1bsh h ARG 129 N 0.32 0.00 0.03 1.96 2.47 -1.54 -3.22 114.38 114.40 1bsh h ARG 129 Ca 0.00 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.44 1bsh h ARG 129 Cb 0.41 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1bsh h ARG 129 CO 0.00 0.56 -1.51 -0.39 0.56 0.00 0.00 179.97 179.19 1bsh h VAL 130 N 0.00 1.12 0.00 2.04 -1.51 -1.65 -3.25 116.25 112.99 1bsh h VAL 130 Ca -0.01 -2.89 0.00 0.00 -1.23 0.00 0.00 66.70 62.57 1bsh h VAL 130 Cb 1.34 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 33.10 1bsh h VAL 130 CO 0.07 0.70 0.00 2.30 -1.23 0.00 0.00 177.57 179.41 1bsh n ILE 131 N -3.22 0.32 0.09 7.19 -5.35 -1.23 -2.67 119.36 114.49 1bsh n ILE 131 Ca -0.13 0.08 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 1bsh n ILE 131 Cb 1.02 -0.78 -0.09 0.00 -1.74 0.00 0.00 39.64 38.05 1bsh n ILE 131 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1bsh h GLU 132 N 0.00 0.25 -0.09 6.28 4.39 -1.59 -3.12 114.58 120.70 1bsh h GLU 132 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1bsh h GLU 132 Cb 0.12 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 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 -3.59 1.21 0.11 1.33 -0.00 -1.09 -3.49 117.00 111.48 1bsh n LEU 133 Ca -0.06 -0.47 0.12 0.00 -0.00 0.00 0.00 56.01 55.60 1bsh n LEU 133 Cb 0.92 -0.05 0.26 0.00 -0.00 0.00 0.00 43.42 44.55 1bsh n LEU 133 CO 0.51 0.24 0.65 0.71 -0.00 0.00 0.00 177.39 179.50 1bsh h THR 134 N 1.68 0.00 0.00 1.47 1.35 -1.63 -3.20 112.91 112.58 1bsh h THR 134 Ca 0.00 -0.61 -0.07 0.00 -0.55 0.00 0.00 66.41 65.17 1bsh h THR 134 Cb 0.37 1.45 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1bsh h THR 134 CO 0.00 0.00 -0.34 0.11 -0.25 0.00 0.00 175.52 175.04 1bsh h LYS 135 N 0.00 0.00 -0.76 4.72 1.57 -1.72 -3.11 116.57 117.27 1bsh h LYS 135 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1bsh h LYS 135 Cb 0.81 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.73 1bsh h LYS 135 CO 0.00 0.34 -0.55 1.63 -0.57 0.00 0.00 179.45 180.30 1bsh n LYS 136 N -3.52 3.40 0.00 3.15 5.02 -1.21 -4.57 118.16 120.42 1bsh n LYS 136 Ca -0.00 -4.00 0.04 0.00 -2.02 0.00 0.00 58.31 52.33 1bsh n LYS 136 Cb 0.49 -2.25 -0.02 0.00 -0.02 0.00 0.00 35.03 33.22 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 137 N -0.76 2.92 -0.21 7.82 0.00 -1.18 -5.10 120.51 124.01 1bsh n ALA 137 Ca 0.46 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1bsh n ALA 137 Cb 0.92 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38