#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 3.94 0.00 0.00 -2.45 -1.26 -5.08 119.30 114.45 1bsh s MET 2 Ca 0.00 -0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1bsh s MET 2 Cb 0.00 -3.58 0.00 0.00 1.25 0.00 0.00 34.83 32.50 1bsh s MET 2 CO 0.00 -0.11 0.00 2.41 1.05 0.00 0.00 175.02 178.37 1bsh n THR 3 N 4.81 0.00 -4.29 10.11 -1.04 -1.26 -4.77 114.28 117.85 1bsh n THR 3 Ca -0.15 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.69 1bsh n THR 3 Cb 0.52 -0.52 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -0.48 -3.26 -1.42 4.02 0.25 -4.73 117.16 111.53 1bsh n TYR 4 Ca 0.00 -2.35 -0.12 0.00 -0.01 0.00 0.00 57.90 55.42 1bsh n TYR 4 Cb 0.00 0.19 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 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 -3.08 -0.65 -0.08 -0.72 5.65 -1.24 -3.09 115.29 112.06 1bsh s HIS 5 Ca 0.30 -0.69 -0.16 0.00 0.25 0.00 0.00 55.06 54.76 1bsh s HIS 5 Cb 0.01 -0.20 -0.05 0.00 -1.18 0.00 0.00 32.58 31.16 1bsh s HIS 5 CO 0.21 -1.04 0.41 -1.17 -0.65 0.00 0.00 174.74 172.50 1bsh s LEU 6 N 1.33 4.34 -0.42 8.88 1.98 -0.75 -0.65 118.68 133.39 1bsh s LEU 6 Ca 0.20 0.80 0.04 0.00 -2.89 0.00 0.00 54.13 52.28 1bsh s LEU 6 Cb -0.09 -2.58 0.17 0.00 0.66 0.00 0.00 46.19 44.34 1bsh s LEU 6 CO -0.05 0.14 0.43 -0.62 -1.89 0.00 0.00 176.35 174.36 1bsh s ASP 7 N -0.03 0.79 -0.41 3.68 2.15 -0.07 -2.72 116.67 120.07 1bsh s ASP 7 Ca 0.23 -2.43 -0.05 0.00 0.43 0.00 0.00 52.55 50.72 1bsh s ASP 7 Cb -0.15 0.30 0.09 0.00 -0.30 0.00 0.00 42.92 42.86 1bsh s ASP 7 CO 0.10 -0.17 0.21 0.54 -0.17 0.00 0.00 175.17 175.69 1bsh s VAL 8 N 0.56 3.65 0.17 1.11 0.11 -1.04 -2.01 120.40 122.96 1bsh s VAL 8 Ca 0.28 -1.75 0.05 0.00 -2.93 0.00 0.00 61.98 57.64 1bsh s VAL 8 Cb -0.02 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 1bsh s VAL 8 CO -0.12 -0.58 0.14 0.68 -3.33 0.00 0.00 175.10 171.89 1bsh s VAL 9 N 1.27 4.46 0.00 2.04 -7.23 -0.84 -2.48 120.40 117.62 1bsh s VAL 9 Ca 0.05 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 1bsh s VAL 9 Cb -0.23 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1bsh s VAL 9 CO -0.02 -0.12 0.00 -1.54 -0.31 0.00 0.00 175.10 173.11 1bsh n SER 10 N -0.40 0.34 -0.25 4.85 3.41 -0.78 -1.89 113.62 118.90 1bsh n SER 10 Ca -0.08 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.58 1bsh n SER 10 Cb 0.55 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.66 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh h ALA 11 N -0.47 0.82 0.00 7.33 0.00 -1.10 -3.35 119.26 122.49 1bsh h ALA 11 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 1bsh h ALA 11 Cb 0.00 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 1bsh h ALA 11 CO 0.00 -0.42 -0.44 -0.85 0.00 0.00 0.00 179.25 177.55 1bsh n GLU 12 N -5.32 0.99 -3.50 0.00 0.28 -1.26 -5.08 120.64 106.76 1bsh n GLU 12 Ca 0.14 -1.90 0.01 0.00 -0.16 0.00 0.00 57.16 55.25 1bsh n GLU 12 Cb 0.48 -1.06 -0.04 0.00 1.43 0.00 0.00 31.44 32.25 1bsh n GLU 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1bsh s GLN 13 N 0.31 0.45 -0.27 3.44 2.00 -1.26 -5.12 119.66 119.20 1bsh s GLN 13 Ca 0.23 1.09 -0.29 0.00 -2.00 0.00 0.00 55.36 54.39 1bsh s GLN 13 Cb 0.28 0.66 0.01 0.00 0.80 0.00 0.00 33.01 34.76 1bsh s GLN 13 CO -0.07 -0.19 1.17 1.14 -0.50 0.00 0.00 175.29 176.84 1bsh s GLN 14 N 2.72 4.08 0.00 1.67 0.00 -1.26 -1.86 119.66 125.00 1bsh s GLN 14 Ca -0.03 1.27 0.00 0.00 -0.00 0.00 0.00 55.36 56.60 1bsh s GLN 14 Cb -0.10 -3.77 0.00 0.00 0.00 0.00 0.00 33.01 29.14 1bsh s GLN 14 CO -0.18 -0.89 0.00 -1.33 0.00 0.00 0.00 175.29 172.88 1bsh n MET 15 N 6.88 0.00 -3.98 9.60 2.81 -1.03 -4.88 117.12 126.52 1bsh n MET 15 Ca 0.13 0.21 -0.34 0.00 -1.81 0.00 0.00 57.70 55.89 1bsh n MET 15 Cb 0.46 -0.64 -0.14 0.00 -0.71 0.00 0.00 33.22 32.19 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N -0.63 3.13 -0.35 2.03 5.36 -1.24 -4.99 117.98 121.29 1bsh s PHE 16 Ca 0.00 -1.76 -0.00 0.00 -0.96 0.00 0.00 56.93 54.21 1bsh s PHE 16 Cb 0.00 -2.04 0.14 0.00 -0.34 0.00 0.00 43.02 40.78 1bsh s PHE 16 CO 0.00 -0.78 0.20 -1.54 -1.46 0.00 0.00 175.22 171.65 1bsh s SER 17 N 1.27 3.11 0.00 6.13 1.04 -1.20 -2.49 113.70 121.57 1bsh s SER 17 Ca -0.02 -2.15 0.00 0.00 0.48 0.00 0.00 55.95 54.26 1bsh s SER 17 Cb -0.18 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.47 1bsh s SER 17 CO -0.04 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1bsh n GLY 18 N 4.11 -1.32 3.79 7.32 0.00 -1.10 -4.98 105.19 113.00 1bsh n GLY 18 Ca 0.10 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 3.46 0.00 0.99 1.43 -1.26 -1.81 118.68 121.49 1bsh s LEU 19 Ca 0.00 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 54.97 1bsh s LEU 19 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.69 1bsh s LEU 19 CO 0.00 -1.37 0.36 0.55 0.23 0.00 0.00 176.35 176.12 1bsh n VAL 20 N -2.16 0.00 0.00 -1.59 3.14 -1.18 -3.74 118.33 112.80 1bsh n VAL 20 Ca 0.10 -0.83 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1bsh n VAL 20 Cb 0.52 0.61 0.00 0.00 -1.06 0.00 0.00 33.84 33.92 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1bsh n GLU 21 N -0.33 0.00 -3.49 1.45 2.13 -1.11 0.84 120.64 120.14 1bsh n GLU 21 Ca -0.02 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.51 1bsh n GLU 21 Cb 0.34 -0.32 -0.12 0.00 0.27 0.00 0.00 31.44 31.61 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 -1.04 0.55 0.26 5.31 3.01 -1.14 -4.69 119.74 122.00 1bsh s LYS 22 Ca 0.00 -1.27 0.04 0.00 -1.01 0.00 0.00 55.97 53.73 1bsh s LYS 22 Cb 0.00 -1.34 -0.03 0.00 -1.01 0.00 0.00 37.83 35.44 1bsh s LYS 22 CO 0.00 -1.18 0.40 -1.50 0.51 0.00 0.00 175.35 173.57 1bsh s ILE 23 N 1.15 5.23 0.19 2.17 2.07 -0.94 0.15 121.20 131.22 1bsh s ILE 23 Ca 0.17 -0.88 -0.08 0.00 -1.41 0.00 0.00 60.65 58.45 1bsh s ILE 23 Cb -0.22 -3.86 -0.01 0.00 0.13 0.00 0.00 42.46 38.49 1bsh s ILE 23 CO -0.03 -0.37 0.29 -1.10 -1.91 0.00 0.00 174.94 171.81 1bsh s GLN 24 N -4.04 1.23 -0.19 3.50 -0.21 0.49 -1.30 119.66 119.13 1bsh s GLN 24 Ca 0.35 -1.28 -0.27 0.00 0.02 0.00 0.00 55.36 54.18 1bsh s GLN 24 Cb -0.09 0.37 0.07 0.00 1.00 0.00 0.00 33.01 34.36 1bsh s GLN 24 CO 0.30 -0.45 0.72 0.54 -2.12 0.00 0.00 175.29 174.28 1bsh s VAL 25 N -4.01 0.00 -0.06 1.09 0.11 -1.26 -1.84 120.40 114.42 1bsh s VAL 25 Ca 0.22 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1bsh s VAL 25 Cb 0.03 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 1bsh s VAL 25 CO 0.04 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.81 1bsh s THR 26 N -0.18 1.01 0.00 5.04 2.01 -0.94 -4.05 115.64 118.54 1bsh s THR 26 Ca -0.04 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1bsh s THR 26 Cb -0.03 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1bsh s THR 26 CO 0.04 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1bsh n GLY 27 N 3.92 1.00 0.00 4.40 0.00 -1.26 -2.76 105.19 110.49 1bsh n GLY 27 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bsh n SER 28 N 0.00 0.59 -4.54 1.61 2.88 -1.25 -4.06 113.62 108.85 1bsh n SER 28 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1bsh n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 1bsh n SER 28 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1bsh n GLU 29 N 0.00 0.78 0.00 -1.46 2.13 -1.26 -4.17 120.64 116.65 1bsh n GLU 29 Ca 0.00 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1bsh n GLU 29 Cb 0.00 -3.12 0.00 0.00 0.27 0.00 0.00 31.44 28.59 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bsh n GLY 30 N 6.19 2.20 0.51 8.31 0.00 -1.26 -3.84 105.19 117.30 1bsh n GLY 30 Ca 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.38 1bsh n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bsh n GLU 31 N 0.00 0.00 -2.30 1.61 2.13 -1.26 -4.62 120.64 116.20 1bsh n GLU 31 Ca 0.00 -0.11 -0.37 0.00 0.66 0.00 0.00 57.16 57.34 1bsh n GLU 31 Cb 0.00 0.45 -0.02 0.00 0.27 0.00 0.00 31.44 32.14 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bsh s LEU 32 N 0.00 4.06 0.00 4.31 1.43 -1.25 -4.80 118.68 122.43 1bsh s LEU 32 Ca 0.00 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1bsh s LEU 32 Cb 0.00 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.03 1bsh s LEU 32 CO 0.00 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1bsh n GLY 33 N 0.46 0.46 3.25 -3.19 0.00 -1.26 -4.22 105.19 100.69 1bsh n GLY 33 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 3.13 -0.42 0.04 -0.61 -1.09 -0.42 -4.59 121.20 117.25 1bsh s ILE 34 Ca 0.00 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1bsh s ILE 34 Cb 0.00 -0.63 -0.00 0.00 -1.58 0.00 0.00 42.46 40.24 1bsh s ILE 34 CO 0.00 0.06 0.03 -1.22 -1.23 0.00 0.00 174.94 172.58 1bsh n TYR 35 N 5.00 -0.06 -2.40 3.97 4.02 -1.26 -2.21 117.16 124.22 1bsh n TYR 35 Ca -0.13 -0.32 -0.37 0.00 -0.01 0.00 0.00 57.90 57.06 1bsh n TYR 35 Cb 0.51 0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 1bsh n TYR 35 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1bsh s PRO 36 N -2.17 3.38 0.00 -0.72 0.04 -1.26 -3.34 135.00 130.93 1bsh s PRO 36 Ca 0.04 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.75 1bsh s PRO 36 Cb 0.00 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1bsh s PRO 36 CO 0.03 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.75 1bsh n GLY 37 N 6.14 0.80 2.07 0.56 0.00 -1.26 -4.92 105.19 108.58 1bsh n GLY 37 Ca 0.42 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 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 0.76 -1.30 1.61 -0.00 -1.21 -4.96 115.22 110.12 1bsh n HIS 38 Ca 0.00 -1.64 0.15 0.00 0.46 0.00 0.00 57.72 56.68 1bsh n HIS 38 Cb 0.00 -1.27 -0.08 0.00 -0.12 0.00 0.00 29.99 28.52 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 1.49 -3.37 -1.57 1.57 0.00 -1.26 -4.21 120.51 113.16 1bsh n ALA 39 Ca 0.37 0.78 -0.41 0.00 0.00 0.00 0.00 53.44 54.18 1bsh n ALA 39 Cb 0.69 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -4.13 3.17 -2.64 0.00 -0.04 -1.26 -4.77 135.00 125.32 1bsh n PRO 40 Ca -0.08 -2.44 -0.40 0.00 -0.04 0.00 0.00 63.50 60.54 1bsh n PRO 40 Cb 0.58 -3.10 -0.05 0.00 -0.04 0.00 0.00 33.50 30.89 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 1.43 4.60 -0.45 1.53 2.01 -1.26 -4.94 118.68 121.59 1bsh s LEU 41 Ca 0.56 2.06 0.07 0.00 0.01 0.00 0.00 54.13 56.82 1bsh s LEU 41 Cb 0.15 -3.61 0.27 0.00 0.01 0.00 0.00 46.19 43.01 1bsh s LEU 41 CO -0.08 0.02 0.87 -0.11 1.01 0.00 0.00 176.35 178.06 1bsh n LEU 42 N 1.54 -1.87 0.00 1.79 7.94 -1.26 -2.87 117.00 122.27 1bsh n LEU 42 Ca -0.01 -3.82 0.00 0.00 -1.11 0.00 0.00 56.01 51.07 1bsh n LEU 42 Cb 0.46 0.82 0.00 0.00 0.53 0.00 0.00 43.42 45.23 1bsh n LEU 42 CO 0.52 2.06 0.00 1.07 -1.11 0.00 0.00 177.39 179.93 1bsh n THR 43 N 1.15 0.00 -3.85 1.96 5.66 -1.22 -4.87 114.28 113.10 1bsh n THR 43 Ca 0.12 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.02 1bsh n THR 43 Cb 0.63 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.36 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 44 N -2.00 -0.42 -0.88 1.79 0.00 -1.26 -2.80 121.76 116.19 1bsh s ALA 44 Ca 0.00 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1bsh s ALA 44 Cb 0.00 0.83 0.13 0.00 0.00 0.00 0.00 23.12 24.08 1bsh s ALA 44 CO 0.00 -0.70 0.94 -0.89 0.00 0.00 0.00 175.76 175.11 1bsh n ILE 45 N -0.26 0.42 -0.61 0.00 5.41 -1.11 -4.66 119.36 118.55 1bsh n ILE 45 Ca -0.09 -0.71 0.08 0.00 1.00 0.00 0.00 62.75 63.03 1bsh n ILE 45 Cb 0.63 0.89 -0.02 0.00 -0.71 0.00 0.00 39.64 40.43 1bsh n ILE 45 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1bsh n LYS 46 N 0.37 -1.21 -2.67 0.38 4.01 -1.26 -3.96 118.16 113.83 1bsh n LYS 46 Ca 0.06 0.80 -0.43 0.00 -0.51 0.00 0.00 58.31 58.23 1bsh n LYS 46 Cb 0.28 -1.48 -0.02 0.00 -0.51 0.00 0.00 35.03 33.30 1bsh n LYS 46 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1bsh s PRO 47 N -1.54 4.23 0.00 1.97 0.04 0.32 -3.84 135.00 136.18 1bsh s PRO 47 Ca 0.00 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1bsh s PRO 47 Cb 0.00 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1bsh s PRO 47 CO 0.00 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1bsh n GLY 48 N 3.42 2.63 1.22 0.56 0.00 -1.06 -4.74 105.19 107.24 1bsh n GLY 48 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 0.95 -3.73 1.61 0.00 -1.11 -2.04 117.12 112.80 1bsh n MET 49 Ca 0.00 -1.26 -0.14 0.00 0.00 0.00 0.00 57.70 56.30 1bsh n MET 49 Cb 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 33.22 33.75 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 -2.01 0.04 -0.05 3.17 1.01 0.45 -2.22 121.20 121.58 1bsh s ILE 50 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 1bsh s ILE 50 Cb 0.00 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.85 1bsh s ILE 50 CO 0.04 -0.18 0.00 -0.60 0.00 0.00 0.00 174.94 174.21 1bsh s ARG 51 N -0.99 0.49 0.30 2.79 6.06 -0.77 -1.44 118.95 125.39 1bsh s ARG 51 Ca -0.10 0.11 0.04 0.00 -2.50 0.00 0.00 55.73 53.27 1bsh s ARG 51 Cb -0.04 -0.79 -0.06 0.00 0.06 0.00 0.00 34.95 34.12 1bsh s ARG 51 CO 0.04 -0.24 0.03 0.42 -2.50 0.00 0.00 175.30 173.06 1bsh s ILE 52 N 1.64 1.21 0.04 4.11 1.01 -0.18 0.18 121.20 129.21 1bsh s ILE 52 Ca -0.01 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1bsh s ILE 52 Cb -0.13 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1bsh s ILE 52 CO -0.03 -0.09 -0.04 -0.69 0.00 0.00 0.00 174.94 174.08 1bsh s VAL 53 N -3.29 0.24 0.00 2.92 1.01 0.12 -2.48 120.40 118.92 1bsh s VAL 53 Ca 0.34 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1bsh s VAL 53 Cb 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1bsh s VAL 53 CO 0.14 -0.63 0.00 1.17 0.00 0.00 0.00 175.10 175.78 1bsh n LYS 54 N 1.11 0.00 0.00 2.72 0.00 -0.90 -2.74 118.16 118.35 1bsh n LYS 54 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.10 1bsh n LYS 54 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1bsh n GLN 55 N 0.00 0.00 -2.69 1.64 0.00 -1.25 -1.79 117.38 113.29 1bsh n GLN 55 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 56.98 1bsh n GLN 55 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 30.24 30.36 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1bsh n HIS 56 N 0.00 -1.77 0.00 3.69 -0.00 -1.26 -3.80 115.22 112.08 1bsh n HIS 56 Ca 0.00 -1.77 0.00 0.00 -0.00 0.00 0.00 57.72 55.95 1bsh n HIS 56 Cb 0.00 1.40 0.00 0.00 -0.00 0.00 0.00 29.99 31.39 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 -1.44 1.44 0.00 1.57 0.00 -0.74 -5.13 105.19 100.89 1bsh n GLY 57 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 0.00 -3.96 1.61 -0.00 -1.19 -4.99 115.22 106.69 1bsh n HIS 58 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.51 1bsh n HIS 58 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 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 2.14 3.28 -0.27 1.57 -1.05 -1.26 -2.12 118.70 120.99 1bsh s GLU 59 Ca 0.00 -0.86 -0.24 0.00 -0.15 0.00 0.00 54.97 53.72 1bsh s GLU 59 Cb 0.00 -2.80 0.07 0.00 -0.44 0.00 0.00 34.13 30.96 1bsh s GLU 59 CO 0.00 0.39 0.71 -1.83 0.95 0.00 0.00 175.26 175.48 1bsh s GLU 60 N -3.96 0.83 0.14 -4.83 4.04 -1.04 -4.98 118.70 108.90 1bsh s GLU 60 Ca 0.35 1.00 0.06 0.00 0.04 0.00 0.00 54.97 56.42 1bsh s GLU 60 Cb -0.09 0.39 -0.04 0.00 0.02 0.00 0.00 34.13 34.42 1bsh s GLU 60 CO 0.28 -0.10 -0.01 -0.59 -1.84 0.00 0.00 175.26 173.00 1bsh s PHE 61 N 0.43 2.89 0.03 4.83 -0.12 -1.26 -1.01 117.98 123.77 1bsh s PHE 61 Ca -0.00 -0.10 0.06 0.00 -0.05 0.00 0.00 56.93 56.83 1bsh s PHE 61 Cb -0.05 -1.44 -0.02 0.00 -0.63 0.00 0.00 43.02 40.88 1bsh s PHE 61 CO 0.00 0.49 -0.17 0.42 -0.05 0.00 0.00 175.22 175.92 1bsh s ILE 62 N -1.53 1.32 -0.13 -4.49 1.01 -0.52 -4.37 121.20 112.49 1bsh s ILE 62 Ca 0.26 -1.02 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 1bsh s ILE 62 Cb -0.10 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 1bsh s ILE 62 CO 0.18 0.13 -0.12 -0.47 0.00 0.00 0.00 174.94 174.65 1bsh s TYR 63 N -0.76 2.82 0.44 3.97 6.14 -1.26 0.17 117.35 128.88 1bsh s TYR 63 Ca 0.04 -0.60 0.04 0.00 0.64 0.00 0.00 57.07 57.19 1bsh s TYR 63 Cb -0.08 -1.84 -0.05 0.00 0.42 0.00 0.00 41.96 40.41 1bsh s TYR 63 CO 0.01 -0.18 0.02 -0.51 0.64 0.00 0.00 175.55 175.53 1bsh s LEU 64 N 0.31 2.53 0.00 6.97 1.43 -0.87 -2.93 118.68 126.12 1bsh s LEU 64 Ca -0.10 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.50 1bsh s LEU 64 Cb -0.16 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1bsh s LEU 64 CO 0.05 -0.66 0.00 -1.54 0.23 0.00 0.00 176.35 174.44 1bsh n SER 65 N -1.09 3.11 0.00 2.29 3.41 -1.25 -2.55 113.62 117.55 1bsh n SER 65 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1bsh n SER 65 Cb 0.67 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bsh n GLY 66 N 2.78 2.29 0.00 5.00 0.00 -1.25 -0.53 105.19 113.49 1bsh n GLY 66 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.44 -1.64 3.93 -0.02 0.00 -1.26 -2.71 105.19 103.06 1bsh n GLY 67 Ca 0.00 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.64 5.33 0.12 -0.61 1.01 -0.37 -2.76 121.20 121.28 1bsh s ILE 68 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 60.65 60.20 1bsh s ILE 68 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1bsh s ILE 68 CO 0.00 -0.01 -0.11 -1.48 0.00 0.00 0.00 174.94 173.35 1bsh s LEU 69 N -2.94 2.46 -0.21 2.97 0.05 -1.12 -1.33 118.68 118.57 1bsh s LEU 69 Ca 0.36 -0.90 -0.05 0.00 0.05 0.00 0.00 54.13 53.59 1bsh s LEU 69 Cb -0.12 -0.35 0.11 0.00 -2.05 0.00 0.00 46.19 43.78 1bsh s LEU 69 CO 0.28 -0.28 0.37 -1.83 -0.55 0.00 0.00 176.35 174.34 1bsh s GLU 70 N -3.21 0.30 0.11 1.48 -1.05 -0.37 -3.45 118.70 112.51 1bsh s GLU 70 Ca 0.11 0.72 0.03 0.00 -0.15 0.00 0.00 54.97 55.68 1bsh s GLU 70 Cb -0.01 -0.17 -0.04 0.00 -0.44 0.00 0.00 34.13 33.47 1bsh s GLU 70 CO 0.00 -0.46 0.14 0.54 0.95 0.00 0.00 175.26 176.44 1bsh s VAL 71 N 2.54 4.75 0.36 1.83 0.11 -1.14 -1.54 120.40 127.31 1bsh s VAL 71 Ca 0.06 -0.78 0.06 0.00 -2.93 0.00 0.00 61.98 58.39 1bsh s VAL 71 Cb -0.14 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1bsh s VAL 71 CO -0.14 0.05 0.23 -1.10 -3.33 0.00 0.00 175.10 170.81 1bsh s GLN 72 N -2.68 1.84 -0.68 1.54 -1.52 -0.68 -4.66 119.66 112.83 1bsh s GLN 72 Ca 0.31 -2.09 -0.27 0.00 -1.95 0.00 0.00 55.36 51.35 1bsh s GLN 72 Cb -0.12 -0.00 0.03 0.00 -0.22 0.00 0.00 33.01 32.70 1bsh s GLN 72 CO 0.24 -0.60 1.28 -1.25 -0.25 0.00 0.00 175.29 174.70 1bsh s PRO 73 N -3.53 3.28 -0.00 2.91 0.04 -1.26 -3.52 135.00 132.92 1bsh s PRO 73 Ca 0.34 -0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.36 1bsh s PRO 73 Cb 0.02 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1bsh s PRO 73 CO 0.23 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1bsh n GLY 74 N 5.28 0.65 0.00 0.56 0.00 -1.26 -5.01 105.19 105.41 1bsh n GLY 74 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 1.76 0.00 -4.60 1.61 5.15 -1.23 -3.73 115.26 114.22 1bsh n ASN 75 Ca -0.00 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.70 1bsh n ASN 75 Cb 0.50 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.66 1bsh n ASN 75 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1bsh s VAL 76 N 0.00 3.40 -0.18 3.44 -7.23 0.18 -1.68 120.40 118.33 1bsh s VAL 76 Ca 0.00 -1.44 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1bsh s VAL 76 Cb 0.00 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.34 1bsh s VAL 76 CO 0.00 -0.02 0.45 -0.89 -0.31 0.00 0.00 175.10 174.33 1bsh s THR 77 N -1.51 -0.01 -0.01 5.32 2.01 -0.59 -0.89 115.64 119.95 1bsh s THR 77 Ca 0.24 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1bsh s THR 77 Cb -0.10 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.77 1bsh s THR 77 CO 0.15 0.01 0.15 0.68 -0.69 0.00 0.00 174.62 174.93 1bsh s VAL 78 N 0.72 0.06 0.01 3.82 -7.23 -0.85 -1.24 120.40 115.69 1bsh s VAL 78 Ca -0.04 -0.52 0.07 0.00 -1.81 0.00 0.00 61.98 59.68 1bsh s VAL 78 Cb -0.05 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 1bsh s VAL 78 CO -0.05 -0.29 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.48 1bsh s LEU 79 N -1.03 2.37 0.34 1.32 1.02 -0.44 -1.98 118.68 120.29 1bsh s LEU 79 Ca -0.11 -0.44 0.07 0.00 0.02 0.00 0.00 54.13 53.67 1bsh s LEU 79 Cb -0.06 -1.42 -0.03 0.00 0.02 0.00 0.00 46.19 44.70 1bsh s LEU 79 CO 0.01 0.29 0.27 0.00 0.02 0.00 0.00 176.35 176.94 1bsh s ALA 80 N -0.78 2.00 -0.22 4.21 0.00 -0.79 -1.24 121.76 124.94 1bsh s ALA 80 Ca 0.12 -2.00 0.11 0.00 0.00 0.00 0.00 51.96 50.19 1bsh s ALA 80 Cb -0.10 1.42 -0.21 0.00 0.00 0.00 0.00 23.12 24.22 1bsh s ALA 80 CO 0.02 -0.64 -0.05 -3.47 0.00 0.00 0.00 175.76 171.62 1bsh n ASP 81 N -1.58 0.91 -4.42 0.00 2.03 -1.10 -1.28 116.55 111.11 1bsh n ASP 81 Ca 0.06 -0.06 -0.30 0.00 0.52 0.00 0.00 54.79 55.02 1bsh n ASP 81 Cb 0.62 0.41 -0.13 0.00 -0.72 0.00 0.00 41.12 41.30 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1bsh s THR 82 N -2.49 2.47 -0.35 5.18 2.01 -1.26 -3.02 115.64 118.18 1bsh s THR 82 Ca -0.20 -1.52 0.01 0.00 0.31 0.00 0.00 61.69 60.29 1bsh s THR 82 Cb 0.07 -2.07 0.14 0.00 0.01 0.00 0.00 72.50 70.65 1bsh s THR 82 CO 0.72 0.20 0.26 0.00 -0.69 0.00 0.00 174.62 175.11 1bsh s ALA 83 N -1.00 0.32 -0.88 7.40 0.00 -1.26 -3.88 121.76 122.46 1bsh s ALA 83 Ca 0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 1bsh s ALA 83 Cb -0.10 -1.75 0.31 0.00 0.00 0.00 0.00 23.12 21.58 1bsh s ALA 83 CO 0.06 -2.04 2.05 -0.89 0.00 0.00 0.00 175.76 174.94 1bsh n ILE 84 N 4.34 4.24 -1.34 0.00 5.41 -1.15 -4.89 119.36 125.97 1bsh n ILE 84 Ca 0.09 -4.60 -0.41 0.00 1.00 0.00 0.00 62.75 58.82 1bsh n ILE 84 Cb 0.41 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.24 0.17 -0.51 0.38 0.63 -1.25 -4.42 116.66 111.42 1bsh n ARG 85 Ca 0.52 0.06 0.42 0.00 -0.92 0.00 0.00 57.85 57.94 1bsh n ARG 85 Cb 0.26 -1.17 0.73 0.00 0.45 0.00 0.00 32.46 32.74 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 0.54 -6.08 5.14 0.00 -1.87 -0.32 103.07 100.85 1bsh h GLY 86 Ca -0.39 -0.05 -0.69 0.00 0.00 0.00 0.00 47.33 46.20 1bsh h GLY 86 CO 0.47 -0.15 0.06 -0.18 0.00 0.00 0.00 176.54 176.74 1bsh n GLN 87 N -4.30 3.84 0.00 4.80 7.27 -1.26 -4.55 117.38 123.18 1bsh n GLN 87 Ca 0.37 -4.71 0.00 0.00 0.07 0.00 0.00 57.00 52.73 1bsh n GLN 87 Cb 1.59 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 31.89 1bsh n GLN 87 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1bsh n ASP 88 N 0.40 0.00 -0.97 1.69 8.00 -0.13 -5.14 116.55 120.39 1bsh n ASP 88 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1bsh n ASP 88 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1bsh n LEU 89 N -0.70 0.00 -3.28 0.64 4.77 -1.26 -5.03 117.00 112.14 1bsh n LEU 89 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1bsh n LEU 89 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1bsh n LEU 89 CO 0.00 0.00 0.03 0.47 -1.33 0.00 0.00 177.39 176.56 1bsh n ASP 90 N -1.28 -6.69 -0.02 -1.43 8.00 -1.26 -4.97 116.55 108.90 1bsh n ASP 90 Ca 0.00 -0.21 -0.02 0.00 0.71 0.00 0.00 54.79 55.28 1bsh n ASP 90 Cb 0.00 -3.80 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bsh n GLU 91 N -1.48 0.10 0.27 -1.24 1.02 -1.26 -4.40 120.64 113.65 1bsh n GLU 91 Ca -0.08 0.04 0.17 0.00 -0.02 0.00 0.00 57.16 57.27 1bsh n GLU 91 Cb 0.57 -0.66 0.64 0.00 -0.02 0.00 0.00 31.44 31.97 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh h ALA 92 N -1.74 1.00 0.00 0.62 0.00 -2.03 -2.39 119.26 114.72 1bsh h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 92 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bsh h ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1bsh n ARG 93 N -3.07 0.59 0.10 0.00 1.74 -1.26 -2.39 116.66 112.38 1bsh n ARG 93 Ca 0.01 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 1bsh n ARG 93 Cb 0.32 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.30 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 3.34 0.54 0.09 7.54 0.00 -1.63 -2.59 119.26 126.55 1bsh h ALA 94 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1bsh h ALA 94 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bsh h ALA 94 CO 0.00 0.00 -1.59 0.52 0.00 0.00 0.00 179.25 178.18 1bsh h MET 95 N 0.00 0.20 0.00 0.00 2.86 -1.64 -3.32 114.93 113.03 1bsh h MET 95 Ca 0.00 -0.34 -0.18 0.00 -2.06 0.00 0.00 59.70 57.12 1bsh h MET 95 Cb 0.95 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 1bsh h MET 95 CO 0.00 1.02 -1.10 1.49 1.06 0.00 0.00 176.91 179.38 1bsh h GLU 96 N 0.05 0.00 0.31 1.72 4.22 -1.68 -3.36 114.58 115.85 1bsh h GLU 96 Ca -0.26 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.17 1bsh h GLU 96 Cb 2.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 1bsh h GLU 96 CO 0.14 0.56 -0.23 0.00 -2.18 0.00 0.00 179.01 177.30 1bsh h ALA 97 N 1.27 -0.52 -0.13 2.92 0.00 -1.58 0.03 119.26 121.25 1bsh h ALA 97 Ca -0.10 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.75 1bsh h ALA 97 Cb 1.65 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1bsh h ALA 97 CO 0.08 -0.81 0.43 -0.22 0.00 0.00 0.00 179.25 178.73 1bsh h LYS 98 N -0.53 0.00 0.00 0.00 3.64 -1.70 -0.75 116.57 117.23 1bsh h LYS 98 Ca -0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1bsh h LYS 98 Cb 0.46 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1bsh h LYS 98 CO 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1bsh h ARG 99 N 0.00 0.00 0.00 1.90 3.08 -1.17 -2.05 114.38 116.14 1bsh h ARG 99 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1bsh h ARG 99 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1bsh h ARG 99 CO -0.00 0.27 0.03 0.87 -1.07 0.00 0.00 179.97 180.06 1bsh h LYS 100 N -1.00 0.00 0.12 0.04 1.57 -0.53 -1.89 116.57 114.87 1bsh h LYS 100 Ca -0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1bsh h LYS 100 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bsh h LYS 100 CO -0.00 0.00 -1.39 0.00 -0.57 0.00 0.00 179.45 177.49 1bsh h ALA 101 N 1.95 0.16 -0.65 3.86 0.00 -1.24 -3.33 119.26 120.02 1bsh h ALA 101 Ca 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 54.91 53.93 1bsh h ALA 101 Cb 0.05 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1bsh h ALA 101 CO 0.00 0.81 0.43 1.49 0.00 0.00 0.00 179.25 181.97 1bsh h GLU 102 N -0.30 0.50 0.01 0.00 4.81 -0.59 -1.64 114.58 117.36 1bsh h GLU 102 Ca -0.30 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 1bsh h GLU 102 Cb 1.76 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.01 1bsh h GLU 102 CO 0.06 0.33 -0.06 0.93 -0.73 0.00 0.00 179.01 179.55 1bsh h GLU 103 N 0.51 -0.10 0.00 1.92 5.08 -1.57 -0.56 114.58 119.86 1bsh h GLU 103 Ca 0.29 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1bsh h GLU 103 Cb 0.48 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1bsh h GLU 103 CO -0.09 -0.07 0.00 0.45 -1.00 0.00 0.00 179.01 178.30 1bsh h HIS 104 N -0.10 0.00 0.00 4.33 3.86 -1.44 -2.15 115.15 119.65 1bsh h HIS 104 Ca 0.02 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 1bsh h HIS 104 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1bsh h HIS 104 CO -0.12 0.00 -0.63 0.82 0.86 0.00 0.00 177.93 178.86 1bsh h ILE 105 N 0.00 0.97 -3.24 2.45 2.04 -0.28 -3.41 117.51 116.05 1bsh h ILE 105 Ca 0.00 -2.39 -0.74 0.00 1.00 0.00 0.00 64.86 62.72 1bsh h ILE 105 Cb 0.35 2.47 -0.24 0.00 -0.74 0.00 0.00 36.82 38.66 1bsh h ILE 105 CO 0.00 0.55 -0.31 -0.55 0.00 0.00 0.00 178.15 177.85 1bsh s SER 106 N -6.46 6.06 0.00 1.72 0.15 -0.50 -4.69 113.70 109.99 1bsh s SER 106 Ca 0.03 -1.58 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1bsh s SER 106 Cb 0.08 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1bsh s SER 106 CO 0.76 -0.72 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 1bsh n SER 107 N 5.16 0.00 -0.65 5.45 7.64 -1.26 -4.92 113.62 125.04 1bsh n SER 107 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1bsh n SER 107 Cb 0.42 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1bsh n SER 107 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bsh n SER 108 N -1.69 0.00 0.00 6.43 3.41 -1.26 -5.14 113.62 115.37 1bsh n SER 108 Ca 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1bsh n SER 108 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bsh n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bsh n HIS 109 N 0.00 0.00 -0.98 7.33 -0.00 -1.26 -5.03 115.22 115.28 1bsh n HIS 109 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.85 1bsh n HIS 109 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bsh n GLY 110 N 4.11 -1.85 3.36 -1.41 0.00 -1.26 -4.58 105.19 103.57 1bsh n GLY 110 Ca 0.00 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 1bsh n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bsh s ASP 111 N -5.72 4.15 -0.10 1.61 1.47 -1.26 -4.59 116.67 112.23 1bsh s ASP 111 Ca 0.00 -0.34 0.00 0.00 1.18 0.00 0.00 52.55 53.39 1bsh s ASP 111 Cb 0.00 -1.66 0.00 0.00 -0.34 0.00 0.00 42.92 40.92 1bsh s ASP 111 CO 0.00 0.10 0.00 1.33 0.68 0.00 0.00 175.17 177.28 1bsh n VAL 112 N 3.96 -0.05 0.00 2.11 0.24 -1.26 -4.81 118.33 118.52 1bsh n VAL 112 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1bsh n VAL 112 Cb 0.52 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 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 -1.30 0.00 0.21 -1.34 2.03 -1.26 -4.14 116.55 110.75 1bsh n ASP 113 Ca -0.01 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.39 1bsh n ASP 113 Cb 0.47 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 41.22 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 -0.18 -0.67 -0.00 -1.87 -2.73 116.97 111.52 1bsh h TYR 114 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 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 0.21 0.22 0.00 -0.00 0.00 0.00 178.16 178.60 1bsh h ALA 115 N 1.79 1.75 0.06 0.10 0.00 -1.85 0.23 119.26 121.33 1bsh h ALA 115 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1bsh h ALA 115 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1bsh h ALA 115 CO 0.03 -0.32 -1.07 1.96 0.00 0.00 0.00 179.25 179.86 1bsh h GLN 116 N 0.00 0.30 0.00 0.00 1.08 -1.64 -3.14 115.11 111.71 1bsh h GLN 116 Ca 0.09 -0.40 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 1bsh h GLN 116 Cb 0.53 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1bsh h GLN 116 CO -0.00 1.13 -0.04 0.00 -0.95 0.00 0.00 178.83 178.96 1bsh h ALA 117 N 0.72 0.98 -0.63 3.87 0.00 -0.75 -3.19 119.26 120.26 1bsh h ALA 117 Ca -0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1bsh h ALA 117 Cb 1.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1bsh h ALA 117 CO 0.18 0.05 0.07 0.77 0.00 0.00 0.00 179.25 180.32 1bsh h SER 118 N 0.00 1.01 0.22 0.00 0.02 -1.07 -1.33 113.55 112.40 1bsh h SER 118 Ca -0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1bsh h SER 118 Cb 0.91 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1bsh h SER 118 CO 0.01 1.02 0.00 0.00 -1.14 0.00 0.00 176.83 176.72 1bsh n ALA 119 N -2.47 1.24 0.08 3.77 0.00 -1.20 -1.35 120.51 120.57 1bsh n ALA 119 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1bsh n ALA 119 Cb 0.30 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.37 1bsh n ALA 119 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bsh h GLU 120 N 0.00 0.11 0.20 0.00 4.39 -1.38 -3.24 114.58 114.66 1bsh h GLU 120 Ca 0.00 -0.19 -0.34 0.00 0.34 0.00 0.00 59.36 59.17 1bsh h GLU 120 Cb 0.11 0.07 0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1bsh h GLU 120 CO 0.00 1.08 -1.65 -0.07 -1.16 0.00 0.00 179.01 177.22 1bsh h LEU 121 N 0.03 0.65 -2.38 1.33 3.38 -1.23 -3.28 115.31 113.82 1bsh h LEU 121 Ca -0.07 -0.87 0.03 0.00 0.09 0.00 0.00 57.88 57.06 1bsh h LEU 121 Cb 1.86 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 1bsh h LEU 121 CO 0.16 1.72 0.15 0.00 0.09 0.00 0.00 178.44 180.56 1bsh h ALA 122 N 0.18 1.54 0.01 1.53 0.00 -1.51 0.64 119.26 121.66 1bsh h ALA 122 Ca -0.31 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 1bsh h ALA 122 Cb 2.11 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1bsh h ALA 122 CO 0.20 -0.20 -1.01 0.87 0.00 0.00 0.00 179.25 179.11 1bsh h LYS 123 N 0.00 0.02 0.00 0.00 1.79 -1.61 -3.20 116.57 113.58 1bsh h LYS 123 Ca 0.05 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1bsh h LYS 123 Cb 0.35 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1bsh h LYS 123 CO -0.00 1.01 -0.27 0.00 -1.08 0.00 0.00 179.45 179.11 1bsh h ALA 124 N 0.97 1.07 -0.00 3.86 0.00 -0.95 -2.16 119.26 122.04 1bsh h ALA 124 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bsh h ALA 124 Cb 1.77 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bsh h ALA 124 CO 0.14 0.34 0.00 -0.89 0.00 0.00 0.00 179.25 178.83 1bsh n ILE 125 N -3.51 0.00 0.25 0.00 5.41 -1.09 -3.34 119.36 117.08 1bsh n ILE 125 Ca -0.00 -0.02 0.13 0.00 1.00 0.00 0.00 62.75 63.86 1bsh n ILE 125 Cb 0.43 -0.37 0.57 0.00 -0.71 0.00 0.00 39.64 39.56 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 3.85 1.05 0.00 -1.39 0.00 -1.50 -2.07 119.26 119.19 1bsh h ALA 126 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bsh h ALA 126 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 126 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1bsh n GLN 127 N -3.32 0.05 0.13 0.00 10.64 -1.21 -3.23 117.38 120.44 1bsh n GLN 127 Ca -0.00 0.07 -0.02 0.00 -1.83 0.00 0.00 57.00 55.21 1bsh n GLN 127 Cb 0.36 -1.57 0.14 0.00 -0.86 0.00 0.00 30.24 28.31 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1bsh h LEU 128 N 0.00 0.02 0.02 2.61 6.46 -1.61 -1.96 115.31 120.85 1bsh h LEU 128 Ca 0.00 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.71 1bsh h LEU 128 Cb 0.53 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1bsh h LEU 128 CO 0.00 0.67 -0.15 -0.09 -0.62 0.00 0.00 178.44 178.25 1bsh h ARG 129 N 0.01 0.07 -0.88 1.25 2.43 -1.69 -2.43 114.38 113.15 1bsh h ARG 129 Ca -0.01 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1bsh h ARG 129 Cb 1.16 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1bsh h ARG 129 CO 0.09 0.97 0.49 -0.39 -1.51 0.00 0.00 179.97 179.62 1bsh h VAL 130 N -0.77 1.25 -0.44 0.20 -1.51 -1.65 -2.47 116.25 110.86 1bsh h VAL 130 Ca -0.02 -0.62 -0.05 0.00 -1.23 0.00 0.00 66.70 64.77 1bsh h VAL 130 Cb 1.04 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.24 1bsh h VAL 130 CO 0.03 0.28 0.06 -0.29 -1.23 0.00 0.00 177.57 176.43 1bsh h ILE 131 N 1.22 1.25 -0.38 7.19 2.10 -1.44 -1.87 117.51 125.57 1bsh h ILE 131 Ca 0.31 -0.91 0.11 0.00 1.08 0.00 0.00 64.86 65.45 1bsh h ILE 131 Cb 0.02 0.98 -0.02 0.00 -1.09 0.00 0.00 36.82 36.71 1bsh h ILE 131 CO -0.05 0.32 0.39 -0.33 -1.08 0.00 0.00 178.15 177.40 1bsh h GLU 132 N 0.60 0.00 -0.00 2.19 4.39 -0.97 -0.61 114.58 120.18 1bsh h GLU 132 Ca 0.13 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.80 1bsh h GLU 132 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1bsh h GLU 132 CO 0.01 0.00 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.68 1bsh h LEU 133 N 0.00 0.10 -2.05 1.33 4.07 -1.10 -3.03 115.31 114.64 1bsh h LEU 133 Ca 0.18 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1bsh h LEU 133 Cb 0.97 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.67 1bsh h LEU 133 CO -0.00 0.86 0.32 0.71 -1.08 0.00 0.00 178.44 179.25 1bsh h THR 134 N -0.64 0.01 0.11 0.22 1.35 -0.89 0.56 112.91 113.63 1bsh h THR 134 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1bsh h THR 134 Cb 0.87 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1bsh h THR 134 CO 0.02 0.00 -0.05 0.11 -0.25 0.00 0.00 175.52 175.35 1bsh h LYS 135 N 0.00 -0.15 -0.17 4.72 1.57 -1.35 -3.27 116.57 117.92 1bsh h LYS 135 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1bsh h LYS 135 Cb 0.64 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1bsh h LYS 135 CO -0.00 0.24 0.00 0.36 -0.57 0.00 0.00 179.45 179.48 1bsh n LYS 136 N -4.85 1.48 0.06 3.15 2.85 -0.60 -4.05 118.16 116.21 1bsh n LYS 136 Ca -0.06 -0.74 -0.13 0.00 -1.05 0.00 0.00 58.31 56.34 1bsh n LYS 136 Cb 0.22 -1.26 -0.09 0.00 -0.65 0.00 0.00 35.03 33.26 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh h ALA 137 N 3.62 -0.17 -0.01 0.58 0.00 0.02 -3.50 119.26 119.80 1bsh h ALA 137 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bsh h ALA 137 Cb 0.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bsh h ALA 137 CO 0.00 -0.39 0.00 -1.33 0.00 0.00 0.00 179.25 177.53