#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 0.76 -0.22 0.00 1.00 -1.26 -4.95 119.30 114.62 1bsh s MET 2 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 55.69 55.39 1bsh s MET 2 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 34.83 34.11 1bsh s MET 2 CO 0.00 0.14 0.05 2.41 0.00 0.00 0.00 175.02 177.62 1bsh n THR 3 N 3.08-10.07 -0.04 2.05 -1.04 -1.26 -5.01 114.28 101.99 1bsh n THR 3 Ca -0.16 1.72 0.00 0.00 -2.04 0.00 0.00 64.05 63.58 1bsh n THR 3 Cb 0.56 -6.02 0.00 0.00 -1.82 0.00 0.00 70.33 63.05 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bsh n TYR 4 N 1.08 0.00 -3.80 -1.42 0.18 0.12 -4.52 117.16 108.79 1bsh n TYR 4 Ca -0.08 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.56 1bsh n TYR 4 Cb 0.20 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.01 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bsh s HIS 5 N 0.50 0.01 0.11 -3.48 5.65 -1.25 -0.78 115.29 116.05 1bsh s HIS 5 Ca 0.00 0.11 0.09 0.00 0.25 0.00 0.00 55.06 55.51 1bsh s HIS 5 Cb 0.00 -0.15 -0.04 0.00 -1.18 0.00 0.00 32.58 31.21 1bsh s HIS 5 CO 0.00 -0.07 -0.23 -0.48 -0.65 0.00 0.00 174.74 173.32 1bsh s LEU 6 N 0.73 2.31 -0.36 8.88 0.05 -0.81 -0.89 118.68 128.59 1bsh s LEU 6 Ca -0.06 -0.71 0.01 0.00 0.05 0.00 0.00 54.13 53.42 1bsh s LEU 6 Cb -0.09 -0.99 0.15 0.00 -2.05 0.00 0.00 46.19 43.21 1bsh s LEU 6 CO -0.02 0.09 0.25 -0.62 -0.55 0.00 0.00 176.35 175.50 1bsh s ASP 7 N -1.98 2.56 -0.18 1.48 2.15 0.08 -2.76 116.67 118.01 1bsh s ASP 7 Ca 0.09 -2.31 -0.09 0.00 0.43 0.00 0.00 52.55 50.66 1bsh s ASP 7 Cb -0.10 -0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 42.14 1bsh s ASP 7 CO 0.05 -0.28 0.14 0.54 -0.17 0.00 0.00 175.17 175.45 1bsh s VAL 8 N 0.91 5.43 0.06 1.11 0.11 -0.88 -1.74 120.40 125.40 1bsh s VAL 8 Ca 0.21 0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1bsh s VAL 8 Cb -0.17 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 1bsh s VAL 8 CO -0.03 0.48 0.06 0.68 -3.33 0.00 0.00 175.10 172.96 1bsh s VAL 9 N 0.05 0.18 0.00 2.04 -7.23 -0.65 -1.95 120.40 112.84 1bsh s VAL 9 Ca 0.10 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1bsh s VAL 9 Cb -0.11 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1bsh s VAL 9 CO -0.00 -0.83 0.00 -1.54 -0.31 0.00 0.00 175.10 172.41 1bsh n SER 10 N 0.12 0.00 0.01 4.85 3.41 -1.26 -0.87 113.62 119.87 1bsh n SER 10 Ca -0.15 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.60 1bsh n SER 10 Cb 0.61 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.10 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh n ALA 11 N -3.00 2.53 -1.27 7.33 0.00 -1.19 -3.38 120.51 121.54 1bsh n ALA 11 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.37 1bsh n ALA 11 Cb 0.00 -1.41 0.18 0.00 0.00 0.00 0.00 19.45 18.22 1bsh n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bsh n GLU 12 N -1.56 1.61 -3.15 0.00 1.02 -1.26 -5.03 120.64 112.27 1bsh n GLU 12 Ca 0.07 -2.91 -0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1bsh n GLU 12 Cb 0.35 -1.61 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bsh n GLN 13 N -1.21 -0.55 -2.80 3.49 6.02 -1.22 -4.99 117.38 116.14 1bsh n GLN 13 Ca 0.19 0.95 0.03 0.00 -0.01 0.00 0.00 57.00 58.16 1bsh n GLN 13 Cb 0.72 -1.37 0.01 0.00 1.02 0.00 0.00 30.24 30.62 1bsh n GLN 13 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1bsh s GLN 14 N -1.06 0.08 0.00 -1.09 -0.21 -1.26 -4.90 119.66 111.22 1bsh s GLN 14 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.37 1bsh s GLN 14 Cb 0.00 0.01 0.00 0.00 1.00 0.00 0.00 33.01 34.02 1bsh s GLN 14 CO 0.07 -0.12 0.00 -1.33 -2.12 0.00 0.00 175.29 171.79 1bsh n MET 15 N 3.88 0.00 -4.14 2.91 2.81 -1.26 -4.57 117.12 116.76 1bsh n MET 15 Ca 0.06 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.80 1bsh n MET 15 Cb 0.63 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 33.01 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N 0.00 0.64 -0.44 2.03 5.36 -0.82 -5.00 117.98 119.74 1bsh s PHE 16 Ca 0.00 -0.29 0.03 0.00 -0.96 0.00 0.00 56.93 55.70 1bsh s PHE 16 Cb 0.00 -0.39 0.19 0.00 -0.34 0.00 0.00 43.02 42.48 1bsh s PHE 16 CO 0.00 -0.04 0.83 -1.54 -1.46 0.00 0.00 175.22 173.01 1bsh s SER 17 N -0.85 -1.10 0.10 6.13 1.04 -1.25 -2.07 113.70 115.70 1bsh s SER 17 Ca -0.03 -1.12 -0.22 0.00 0.48 0.00 0.00 55.95 55.06 1bsh s SER 17 Cb -0.06 1.43 0.07 0.00 0.10 0.00 0.00 66.02 67.57 1bsh s SER 17 CO 0.00 -0.06 1.02 0.61 0.98 0.00 0.00 173.24 175.79 1bsh n GLY 18 N 3.17 0.51 3.76 7.32 0.00 -1.11 -5.01 105.19 113.83 1bsh n GLY 18 Ca 0.14 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 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 4.49 -0.01 0.99 1.43 -1.26 -1.93 118.68 122.39 1bsh s LEU 19 Ca 0.23 2.44 -0.06 0.00 -1.03 0.00 0.00 54.13 55.71 1bsh s LEU 19 Cb -0.02 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1bsh s LEU 19 CO 0.03 -0.33 0.13 0.68 0.23 0.00 0.00 176.35 177.09 1bsh s VAL 20 N -1.03 0.07 -0.16 -1.59 -7.23 0.04 -4.42 120.40 106.08 1bsh s VAL 20 Ca 0.47 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 60.05 1bsh s VAL 20 Cb -0.35 -0.38 -0.10 0.00 0.56 0.00 0.00 36.38 36.11 1bsh s VAL 20 CO 0.45 -0.32 -0.15 1.21 -0.31 0.00 0.00 175.10 175.98 1bsh n GLU 21 N 1.74 0.38 -3.75 4.82 2.13 -1.13 -0.71 120.64 124.13 1bsh n GLU 21 Ca -0.21 0.10 -0.28 0.00 0.66 0.00 0.00 57.16 57.44 1bsh n GLU 21 Cb 0.56 -1.27 -0.16 0.00 0.27 0.00 0.00 31.44 30.84 1bsh n GLU 21 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bsh s LYS 22 N -2.31 0.72 0.19 5.31 -0.14 -1.17 -4.61 119.74 117.73 1bsh s LYS 22 Ca -0.22 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 1bsh s LYS 22 Cb 0.06 -2.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1bsh s LYS 22 CO 0.35 -0.66 0.20 -0.89 -0.76 0.00 0.00 175.35 173.59 1bsh n ILE 23 N 5.02 0.00 -3.08 2.17 2.08 -1.16 0.20 119.36 124.59 1bsh n ILE 23 Ca -0.09 -0.70 0.05 0.00 0.56 0.00 0.00 62.75 62.57 1bsh n ILE 23 Cb 0.47 -0.57 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1bsh s GLN 24 N -2.82 0.12 -0.11 0.38 0.74 0.23 -3.97 119.66 114.22 1bsh s GLN 24 Ca 0.15 0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.60 1bsh s GLN 24 Cb -0.01 0.04 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 1bsh s GLN 24 CO 0.10 -0.21 0.05 0.54 -0.55 0.00 0.00 175.29 175.22 1bsh s VAL 25 N 2.78 4.75 -0.19 1.34 0.11 -1.22 -0.95 120.40 127.02 1bsh s VAL 25 Ca 0.27 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1bsh s VAL 25 Cb -0.00 -3.05 0.04 0.00 -1.53 0.00 0.00 36.38 31.84 1bsh s VAL 25 CO -0.21 0.58 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.14 1bsh s THR 26 N -0.68 1.64 -0.01 5.04 2.01 -0.74 -3.52 115.64 119.39 1bsh s THR 26 Ca 0.12 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 1bsh s THR 26 Cb -0.12 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1bsh s THR 26 CO 0.02 0.22 -0.04 0.61 -0.69 0.00 0.00 174.62 174.75 1bsh n GLY 27 N 4.69 -0.24 0.00 4.40 0.00 -1.26 -2.14 105.19 110.65 1bsh n GLY 27 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.80 0.00 -3.82 1.61 2.88 -1.26 -4.59 113.62 105.64 1bsh n SER 28 Ca -0.01 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.10 1bsh n SER 28 Cb 0.06 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1bsh n GLU 29 N -0.36 4.37 0.00 -1.46 1.02 -1.26 -4.58 120.64 118.37 1bsh n GLU 29 Ca 0.00 -4.06 0.00 0.00 -0.02 0.00 0.00 57.16 53.08 1bsh n GLU 29 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 28.76 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsh n GLY 30 N 1.65 0.42 3.03 0.62 0.00 -1.26 -5.10 105.19 104.54 1bsh n GLY 30 Ca 0.39 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bsh s GLU 31 N 0.00 2.36 0.11 1.61 -1.05 -1.26 -4.46 118.70 116.00 1bsh s GLU 31 Ca 0.00 -2.65 0.04 0.00 -0.15 0.00 0.00 54.97 52.21 1bsh s GLU 31 Cb 0.00 -3.56 -0.04 0.00 -0.44 0.00 0.00 34.13 30.09 1bsh s GLU 31 CO 0.00 -1.16 0.06 -0.51 0.95 0.00 0.00 175.26 174.61 1bsh s LEU 32 N -0.30 3.67 0.48 1.83 1.43 -1.23 -4.83 118.68 119.73 1bsh s LEU 32 Ca 0.18 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1bsh s LEU 32 Cb -0.21 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.69 1bsh s LEU 32 CO -0.03 0.15 0.66 -0.83 0.23 0.00 0.00 176.35 176.53 1bsh s GLY 33 N -2.55 1.87 -0.20 -3.19 0.00 -1.26 -3.44 107.32 98.55 1bsh s GLY 33 Ca 0.28 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.12 1bsh s GLY 33 CO 0.21 -1.50 0.17 -0.42 0.00 0.00 0.00 173.10 171.56 1bsh s ILE 34 N -2.49 5.37 0.31 0.90 -1.09 -1.25 -4.89 121.20 118.06 1bsh s ILE 34 Ca 0.57 0.26 0.03 0.00 -2.23 0.00 0.00 60.65 59.29 1bsh s ILE 34 Cb -0.09 -3.51 -0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1bsh s ILE 34 CO 0.35 0.40 0.08 -0.72 -1.23 0.00 0.00 174.94 173.82 1bsh s TYR 35 N 0.60 1.84 -1.15 3.97 1.13 -1.26 -2.97 117.35 119.50 1bsh s TYR 35 Ca 0.10 -1.05 -0.23 0.00 -1.41 0.00 0.00 57.07 54.48 1bsh s TYR 35 Cb -0.12 -1.17 -0.07 0.00 -1.10 0.00 0.00 41.96 39.50 1bsh s TYR 35 CO 0.01 -0.11 1.91 -1.25 -2.51 0.00 0.00 175.55 173.60 1bsh s PRO 36 N -3.91 2.64 0.00 -3.49 0.04 -1.26 -2.42 135.00 126.60 1bsh s PRO 36 Ca 0.36 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1bsh s PRO 36 Cb 0.08 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1bsh s PRO 36 CO 0.15 -3.72 0.00 0.41 0.04 0.00 0.00 177.00 173.88 1bsh n GLY 37 N 5.95 0.21 3.07 0.56 0.00 -1.26 -5.15 105.19 108.57 1bsh n GLY 37 Ca 0.44 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.46 0.00 1.61 -0.00 -1.01 -4.74 115.22 107.61 1bsh n HIS 38 Ca 0.00 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1bsh n HIS 38 Cb 0.00 -1.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.40 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 -3.03 0.00 0.97 1.57 0.00 -1.26 -4.94 120.51 113.82 1bsh n ALA 39 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bsh n ALA 39 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 0.00 0.97 -3.49 0.00 -0.04 -1.26 -4.61 135.00 126.57 1bsh n PRO 40 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1bsh n PRO 40 Cb 0.00 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.00 4.96 -0.45 1.53 2.01 -1.26 -4.97 118.68 120.50 1bsh s LEU 41 Ca 0.00 -0.83 0.05 0.00 0.01 0.00 0.00 54.13 53.36 1bsh s LEU 41 Cb 0.00 -2.14 0.18 0.00 0.01 0.00 0.00 46.19 44.24 1bsh s LEU 41 CO 0.00 -0.41 0.49 -0.76 1.01 0.00 0.00 176.35 176.69 1bsh s LEU 42 N 1.67 0.17 0.00 1.79 1.43 -1.26 -2.71 118.68 119.77 1bsh s LEU 42 Ca 0.05 -2.44 0.00 0.00 -1.03 0.00 0.00 54.13 50.71 1bsh s LEU 42 Cb -0.19 0.55 0.00 0.00 0.03 0.00 0.00 46.19 46.59 1bsh s LEU 42 CO 0.10 -0.13 0.00 1.07 0.23 0.00 0.00 176.35 177.62 1bsh n THR 43 N 2.99 0.00 -3.32 5.49 5.66 -1.21 -5.05 114.28 118.84 1bsh n THR 43 Ca 0.24 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.09 1bsh n THR 43 Cb 0.51 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.32 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n ALA 44 N -3.00 0.74 -2.31 1.79 0.00 -1.26 -2.79 120.51 113.68 1bsh n ALA 44 Ca 0.00 -1.46 -0.16 0.00 0.00 0.00 0.00 53.44 51.82 1bsh n ALA 44 Cb 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1bsh n ALA 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bsh s ILE 45 N -1.62 0.87 0.36 0.00 1.01 -0.49 -4.53 121.20 116.79 1bsh s ILE 45 Ca 0.33 -2.01 0.08 0.00 0.00 0.00 0.00 60.65 59.06 1bsh s ILE 45 Cb -0.03 -2.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.03 1bsh s ILE 45 CO 0.21 -0.30 0.03 -0.54 0.00 0.00 0.00 174.94 174.35 1bsh s LYS 46 N -3.91 2.07 -0.25 2.79 -0.14 -1.26 -3.30 119.74 115.74 1bsh s LYS 46 Ca 0.29 -1.82 -0.29 0.00 -1.36 0.00 0.00 55.97 52.79 1bsh s LYS 46 Cb 0.06 -1.89 0.01 0.00 -1.68 0.00 0.00 37.83 34.33 1bsh s LYS 46 CO 0.09 0.07 1.14 -1.25 -0.76 0.00 0.00 175.35 174.64 1bsh s PRO 47 N -3.74 4.15 0.00 -1.68 0.04 -1.26 -2.31 135.00 130.19 1bsh s PRO 47 Ca 0.36 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1bsh s PRO 47 Cb 0.02 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1bsh s PRO 47 CO 0.20 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1bsh n GLY 48 N 3.70 2.47 0.99 0.56 0.00 -0.83 -4.69 105.19 107.39 1bsh n GLY 48 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 1.50 -3.49 1.61 0.00 -0.91 -2.04 117.12 113.78 1bsh n MET 49 Ca 0.00 -1.01 -0.13 0.00 0.00 0.00 0.00 57.70 56.56 1bsh n MET 49 Cb 0.00 0.32 -0.03 0.00 0.00 0.00 0.00 33.22 33.51 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N -1.60 0.02 -0.14 3.17 -1.16 -0.97 -1.78 121.20 118.74 1bsh s ILE 50 Ca 0.01 -0.13 -0.10 0.00 -0.51 0.00 0.00 60.65 59.92 1bsh s ILE 50 Cb 0.00 -1.02 0.05 0.00 0.61 0.00 0.00 42.46 42.10 1bsh s ILE 50 CO 0.01 -0.07 0.36 -0.60 -2.81 0.00 0.00 174.94 171.83 1bsh s ARG 51 N -3.23 0.38 0.28 3.50 3.52 -0.12 -1.25 118.95 122.02 1bsh s ARG 51 Ca -0.01 0.61 0.10 0.00 -0.13 0.00 0.00 55.73 56.29 1bsh s ARG 51 Cb -0.00 0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.41 1bsh s ARG 51 CO -0.08 -0.11 -0.02 0.96 -0.81 0.00 0.00 175.30 175.24 1bsh s ILE 52 N 0.79 3.15 -0.54 4.11 -0.00 -0.22 0.75 121.20 129.24 1bsh s ILE 52 Ca -0.05 -1.99 0.07 0.00 -0.00 0.00 0.00 60.65 58.68 1bsh s ILE 52 Cb -0.06 -2.76 0.30 0.00 -0.00 0.00 0.00 42.46 39.94 1bsh s ILE 52 CO -0.06 -0.34 0.77 0.52 -0.00 0.00 0.00 174.94 175.84 1bsh n VAL 53 N -0.88 1.70 -1.65 8.37 0.31 0.53 -2.91 118.33 123.80 1bsh n VAL 53 Ca -0.06 -5.04 -0.60 0.00 -0.01 0.00 0.00 64.34 58.63 1bsh n VAL 53 Cb 0.60 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 1bsh n VAL 53 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1bsh n LYS 54 N 0.49 0.50 0.00 5.55 5.02 -1.07 -2.84 118.16 125.81 1bsh n LYS 54 Ca 0.28 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1bsh n LYS 54 Cb 0.46 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1bsh n GLN 55 N 3.42 0.00 -3.54 1.97 -0.06 -1.26 -4.18 117.38 113.73 1bsh n GLN 55 Ca 0.25 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.24 1bsh n GLN 55 Cb 0.07 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.20 1bsh n GLN 55 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 1bsh s HIS 56 N 0.00 -0.95 0.00 3.69 2.46 -1.26 -4.59 115.29 114.64 1bsh s HIS 56 Ca 0.00 1.69 0.00 0.00 0.47 0.00 0.00 55.06 57.22 1bsh s HIS 56 Cb 0.00 0.57 0.00 0.00 -0.13 0.00 0.00 32.58 33.02 1bsh s HIS 56 CO 0.00 -0.47 0.00 0.41 -2.47 0.00 0.00 174.74 172.21 1bsh n GLY 57 N 4.94 2.17 3.76 1.59 0.00 -1.26 -5.04 105.19 111.35 1bsh n GLY 57 Ca -0.12 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 3.18 0.17 1.61 3.76 -1.26 -4.98 115.29 117.77 1bsh s HIS 58 Ca 0.00 1.40 -0.20 0.00 -0.15 0.00 0.00 55.06 56.11 1bsh s HIS 58 Cb 0.00 -3.61 0.04 0.00 1.11 0.00 0.00 32.58 30.13 1bsh s HIS 58 CO 0.00 -1.70 0.54 -1.83 -0.85 0.00 0.00 174.74 170.91 1bsh s GLU 59 N -1.30 1.31 0.35 1.40 -1.05 -1.26 -2.61 118.70 115.54 1bsh s GLU 59 Ca 0.50 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 54.50 1bsh s GLU 59 Cb -0.38 0.54 0.03 0.00 -0.44 0.00 0.00 34.13 33.89 1bsh s GLU 59 CO 0.47 -0.56 0.68 -1.21 0.95 0.00 0.00 175.26 175.60 1bsh s GLU 60 N -3.82 2.06 0.04 -4.83 2.02 -1.15 -4.96 118.70 108.07 1bsh s GLU 60 Ca 0.05 -1.45 -0.09 0.00 0.02 0.00 0.00 54.97 53.50 1bsh s GLU 60 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 34.13 34.79 1bsh s GLU 60 CO -0.08 -0.93 0.18 -0.59 0.02 0.00 0.00 175.26 173.86 1bsh s PHE 61 N -2.79 0.07 0.00 1.61 -0.71 -1.26 -1.05 117.98 113.86 1bsh s PHE 61 Ca 0.19 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.78 1bsh s PHE 61 Cb -0.04 -0.05 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 1bsh s PHE 61 CO 0.13 -0.41 0.00 -0.89 -1.34 0.00 0.00 175.22 172.71 1bsh n ILE 62 N 0.75 0.00 -3.41 -4.49 2.08 -0.38 -3.46 119.36 110.44 1bsh n ILE 62 Ca -0.19 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.11 1bsh n ILE 62 Cb 0.59 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.43 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1bsh s TYR 63 N -0.50 -1.29 0.51 1.39 5.04 -1.26 -2.28 117.35 118.95 1bsh s TYR 63 Ca 0.00 1.76 0.04 0.00 -2.44 0.00 0.00 57.07 56.44 1bsh s TYR 63 Cb 0.00 0.53 0.01 0.00 0.35 0.00 0.00 41.96 42.85 1bsh s TYR 63 CO 0.00 -0.73 0.24 -0.48 -1.34 0.00 0.00 175.55 173.24 1bsh s LEU 64 N 2.79 2.65 -0.35 6.97 2.34 -0.87 -1.91 118.68 130.30 1bsh s LEU 64 Ca 0.08 -1.34 0.10 0.00 0.06 0.00 0.00 54.13 53.02 1bsh s LEU 64 Cb -0.14 -1.10 0.45 0.00 -0.56 0.00 0.00 46.19 44.84 1bsh s LEU 64 CO -0.18 -0.93 1.11 -1.20 -1.06 0.00 0.00 176.35 174.09 1bsh n SER 65 N -1.52 3.95 0.00 1.48 7.64 -0.90 -1.97 113.62 122.30 1bsh n SER 65 Ca -0.07 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.42 1bsh n SER 65 Cb 0.65 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.50 -1.81 0.00 0.23 0.00 -0.98 -4.25 105.19 97.88 1bsh n GLY 66 Ca 0.33 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.00 0.35 3.12 -0.02 0.00 -1.21 -3.96 105.19 103.48 1bsh n GLY 67 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.74 0.92 -0.05 -0.61 1.01 -0.67 -1.40 121.20 117.66 1bsh s ILE 68 Ca 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1bsh s ILE 68 Cb 0.00 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1bsh s ILE 68 CO 0.00 -0.17 -0.10 -1.48 0.00 0.00 0.00 174.94 173.19 1bsh s LEU 69 N -1.39 1.63 -0.05 2.97 0.05 -1.12 -1.33 118.68 119.44 1bsh s LEU 69 Ca -0.03 -0.24 0.01 0.00 0.05 0.00 0.00 54.13 53.92 1bsh s LEU 69 Cb -0.09 -0.69 0.02 0.00 -2.05 0.00 0.00 46.19 43.39 1bsh s LEU 69 CO 0.01 0.03 -0.05 -1.83 -0.55 0.00 0.00 176.35 173.97 1bsh s GLU 70 N 0.57 0.86 -0.21 1.48 -1.05 -0.69 -3.35 118.70 116.31 1bsh s GLU 70 Ca -0.11 -0.11 -0.10 0.00 -0.15 0.00 0.00 54.97 54.50 1bsh s GLU 70 Cb -0.14 -0.88 -0.05 0.00 -0.44 0.00 0.00 34.13 32.62 1bsh s GLU 70 CO 0.02 -0.09 0.15 0.54 0.95 0.00 0.00 175.26 176.83 1bsh s VAL 71 N 0.99 5.39 0.46 1.83 0.11 -1.10 -1.84 120.40 126.23 1bsh s VAL 71 Ca -0.10 0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1bsh s VAL 71 Cb -0.14 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1bsh s VAL 71 CO -0.00 0.41 0.42 -1.10 -3.33 0.00 0.00 175.10 171.50 1bsh s GLN 72 N 0.55 2.46 -0.40 1.54 -0.21 0.57 -4.70 119.66 119.46 1bsh s GLN 72 Ca 0.09 -1.64 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 1bsh s GLN 72 Cb -0.12 -2.35 0.02 0.00 1.00 0.00 0.00 33.01 31.56 1bsh s GLN 72 CO 0.00 -0.34 1.18 -1.25 -2.12 0.00 0.00 175.29 172.76 1bsh s PRO 73 N -4.21 3.83 -0.09 2.91 0.04 -1.26 -3.16 135.00 133.05 1bsh s PRO 73 Ca 0.47 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1bsh s PRO 73 Cb -0.03 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1bsh s PRO 73 CO 0.28 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.49 1bsh n GLY 74 N 4.54 0.44 0.00 0.56 0.00 -1.26 -4.97 105.19 104.49 1bsh n GLY 74 Ca 0.13 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1bsh n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsh n ASN 75 N 1.85 0.00 -4.06 1.61 6.94 -1.19 -3.94 115.26 116.47 1bsh n ASN 75 Ca -0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.48 1bsh n ASN 75 Cb 0.07 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 1bsh n ASN 75 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1bsh s VAL 76 N -2.00 0.20 -0.11 3.53 -7.23 -0.06 -0.31 120.40 114.41 1bsh s VAL 76 Ca 0.00 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1bsh s VAL 76 Cb 0.00 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.44 1bsh s VAL 76 CO 0.00 -0.91 0.42 0.42 -0.31 0.00 0.00 175.10 174.72 1bsh s THR 77 N -3.92 0.02 0.06 5.32 -4.23 -0.77 -0.74 115.64 111.38 1bsh s THR 77 Ca 0.08 -0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1bsh s THR 77 Cb 0.08 -0.64 0.03 0.00 1.34 0.00 0.00 72.50 73.30 1bsh s THR 77 CO -0.09 -0.07 0.35 0.68 -0.54 0.00 0.00 174.62 174.95 1bsh s VAL 78 N -0.31 0.07 0.33 2.29 -7.23 -0.71 -1.71 120.40 113.13 1bsh s VAL 78 Ca -0.05 -0.62 0.08 0.00 -1.81 0.00 0.00 61.98 59.58 1bsh s VAL 78 Cb -0.03 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.82 1bsh s VAL 78 CO 0.02 -0.34 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.66 1bsh s LEU 79 N -2.26 2.62 0.00 1.32 1.02 -0.44 -1.64 118.68 119.30 1bsh s LEU 79 Ca -0.03 -1.24 0.00 0.00 0.02 0.00 0.00 54.13 52.88 1bsh s LEU 79 Cb 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 46.19 45.41 1bsh s LEU 79 CO -0.05 -0.33 0.00 0.00 0.02 0.00 0.00 176.35 175.99 1bsh n ALA 80 N -0.74 0.00 0.08 4.21 0.00 -0.05 -1.67 120.51 122.35 1bsh n ALA 80 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1bsh n ALA 80 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 0.00 -0.08 -4.60 0.00 9.92 -1.25 -3.57 116.55 116.96 1bsh n ASP 81 Ca 0.00 0.27 -0.31 0.00 -0.53 0.00 0.00 54.79 54.23 1bsh n ASP 81 Cb 0.00 0.22 -0.10 0.00 -0.64 0.00 0.00 41.12 40.60 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 -2.00 3.56 0.01 -3.53 2.01 -1.26 -3.14 115.64 111.29 1bsh s THR 82 Ca 0.00 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1bsh s THR 82 Cb 0.00 -2.64 -0.01 0.00 0.01 0.00 0.00 72.50 69.86 1bsh s THR 82 CO 0.00 0.20 -0.01 0.00 -0.69 0.00 0.00 174.62 174.12 1bsh s ALA 83 N -1.16 0.06 0.00 7.40 0.00 -1.26 -2.12 121.76 124.68 1bsh s ALA 83 Ca 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1bsh s ALA 83 Cb -0.11 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1bsh s ALA 83 CO 0.13 -0.11 0.00 -0.89 0.00 0.00 0.00 175.76 174.89 1bsh n ILE 84 N 2.10 0.00 -1.09 0.00 5.41 -0.81 -5.02 119.36 119.96 1bsh n ILE 84 Ca -0.20 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.60 1bsh n ILE 84 Cb 0.57 -0.26 -0.03 0.00 -0.71 0.00 0.00 39.64 39.21 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 -1.33 -2.76 -0.33 0.38 0.63 -1.26 -2.24 116.66 109.76 1bsh n ARG 85 Ca 0.00 2.18 0.36 0.00 -0.92 0.00 0.00 57.85 59.47 1bsh n ARG 85 Cb 0.20 -2.85 0.75 0.00 0.45 0.00 0.00 32.46 31.01 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 -0.30 0.00 -5.09 5.14 0.00 -1.80 -3.32 103.07 97.70 1bsh h GLY 86 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1bsh h GLY 86 CO 0.02 0.00 -0.36 1.20 0.00 0.00 0.00 176.54 177.40 1bsh s GLN 87 N -4.91 0.75 0.34 4.80 -0.21 -1.26 -4.23 119.66 114.94 1bsh s GLN 87 Ca -0.05 -0.70 0.17 0.00 0.02 0.00 0.00 55.36 54.80 1bsh s GLN 87 Cb 0.23 -0.02 0.51 0.00 1.00 0.00 0.00 33.01 34.73 1bsh s GLN 87 CO 0.79 -0.95 1.66 0.22 -2.12 0.00 0.00 175.29 174.89 1bsh h ASP 88 N 4.95 0.00 0.00 5.90 1.82 -1.55 -3.46 116.42 124.08 1bsh h ASP 88 Ca 0.04 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1bsh h ASP 88 Cb 1.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1bsh h ASP 88 CO -0.02 0.45 0.00 -0.11 -1.61 0.00 0.00 179.24 177.95 1bsh n LEU 89 N -3.52 0.00 -4.62 2.28 -0.00 -1.26 -5.10 117.00 104.78 1bsh n LEU 89 Ca -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1bsh n LEU 89 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.92 1bsh n LEU 89 CO 0.38 0.00 0.30 -1.81 -0.00 0.00 0.00 177.39 176.27 1bsh s ASP 90 N 0.00 6.49 0.00 1.96 1.01 -1.26 -4.85 116.67 120.02 1bsh s ASP 90 Ca 0.00 0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.84 1bsh s ASP 90 Cb 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1bsh s ASP 90 CO 0.00 -0.33 0.00 -1.84 0.21 0.00 0.00 175.17 173.21 1bsh n GLU 91 N 5.62 0.24 0.15 8.23 0.28 -1.26 -4.74 120.64 129.16 1bsh n GLU 91 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.10 1bsh n GLU 91 Cb 0.49 -0.72 0.39 0.00 1.43 0.00 0.00 31.44 33.03 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 1.00 -0.10 -1.84 0.00 -2.02 -2.86 119.26 113.44 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 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bsh h ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 1bsh n ARG 93 N -2.54 1.65 0.06 0.00 0.63 -1.26 -3.56 116.66 111.64 1bsh n ARG 93 Ca 0.04 -0.97 0.12 0.00 -0.92 0.00 0.00 57.85 56.12 1bsh n ARG 93 Cb 0.41 -1.42 0.08 0.00 0.45 0.00 0.00 32.46 31.98 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 0.18 2.91 -0.09 5.13 0.00 -1.08 -3.56 120.51 124.00 1bsh n ALA 94 Ca 0.17 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1bsh n ALA 94 Cb 0.32 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.46 0.00 2.86 -1.73 -3.33 114.93 112.27 1bsh h MET 95 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1bsh h MET 95 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1bsh h MET 95 CO 0.00 0.76 0.32 0.93 1.06 0.00 0.00 176.91 179.98 1bsh h GLU 96 N -1.00 0.15 0.19 1.72 5.08 -1.74 -1.98 114.58 117.00 1bsh h GLU 96 Ca -0.18 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1bsh h GLU 96 Cb 1.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1bsh h GLU 96 CO -0.11 0.10 -0.17 0.00 -1.00 0.00 0.00 179.01 177.83 1bsh h ALA 97 N 1.77 -0.35 -0.70 3.43 0.00 -1.69 -1.00 119.26 120.72 1bsh h ALA 97 Ca 0.22 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.26 1bsh h ALA 97 Cb 0.65 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1bsh h ALA 97 CO -0.03 -0.72 0.49 -0.22 0.00 0.00 0.00 179.25 178.77 1bsh h LYS 98 N -0.38 0.12 -0.37 0.00 3.64 -1.46 0.21 116.57 118.32 1bsh h LYS 98 Ca -0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 1bsh h LYS 98 Cb 0.35 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1bsh h LYS 98 CO -0.03 0.08 -0.05 0.00 -2.27 0.00 0.00 179.45 177.18 1bsh h ARG 99 N 0.12 0.69 -0.00 1.90 -0.00 -1.10 -2.55 114.38 113.44 1bsh h ARG 99 Ca 0.34 -0.25 0.00 0.00 -0.50 0.00 0.00 59.98 59.57 1bsh h ARG 99 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.09 1bsh h ARG 99 CO -0.04 0.82 -0.10 0.36 0.00 0.00 0.00 179.97 181.01 1bsh n LYS 100 N -4.42 0.65 0.00 0.04 2.85 0.05 -3.23 118.16 114.10 1bsh n LYS 100 Ca -0.02 -0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.16 1bsh n LYS 100 Cb 0.32 -1.50 0.30 0.00 -0.65 0.00 0.00 35.03 33.50 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh n ALA 101 N -1.00 3.36 0.07 0.58 0.00 0.52 -3.81 120.51 120.23 1bsh n ALA 101 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1bsh n ALA 101 Cb 0.27 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1bsh n ALA 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bsh h GLU 102 N 0.55 0.00 -0.44 0.00 4.57 -1.49 -3.05 114.58 114.72 1bsh h GLU 102 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1bsh h GLU 102 Cb 0.50 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1bsh h GLU 102 CO 0.00 0.39 0.07 1.49 -1.18 0.00 0.00 179.01 179.79 1bsh h GLU 103 N 0.00 0.73 0.00 1.92 4.81 -1.74 -0.16 114.58 120.14 1bsh h GLU 103 Ca -0.10 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1bsh h GLU 103 Cb 1.53 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1bsh h GLU 103 CO 0.06 0.76 -0.08 0.45 -0.73 0.00 0.00 179.01 179.46 1bsh h HIS 104 N 0.60 0.00 0.00 0.92 3.86 -1.75 -3.16 115.15 115.62 1bsh h HIS 104 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1bsh h HIS 104 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1bsh h HIS 104 CO 0.03 0.00 -0.85 0.82 0.86 0.00 0.00 177.93 178.79 1bsh h ILE 105 N 0.00 0.00 -0.75 2.45 1.08 -1.33 -3.38 117.51 115.58 1bsh h ILE 105 Ca 0.00 -0.94 -0.72 0.00 -0.39 0.00 0.00 64.86 62.81 1bsh h ILE 105 Cb 0.75 1.51 -0.08 0.00 -3.07 0.00 0.00 36.82 35.93 1bsh h ILE 105 CO 0.00 0.00 2.82 -0.24 -0.69 0.00 0.00 178.15 180.04 1bsh n SER 106 N -2.66 7.18 -3.68 1.72 2.88 -0.11 -4.85 113.62 114.10 1bsh n SER 106 Ca 0.01 -2.95 -0.01 0.00 -1.33 0.00 0.00 58.87 54.59 1bsh n SER 106 Cb 0.54 -1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 62.51 1bsh n SER 106 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1bsh s SER 107 N 1.28 -0.13 -0.30 -3.46 0.15 -1.26 -5.02 113.70 104.96 1bsh s SER 107 Ca 0.55 -0.25 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 1bsh s SER 107 Cb 0.16 0.32 0.18 0.00 -1.71 0.00 0.00 66.02 64.97 1bsh s SER 107 CO -0.06 -0.58 1.05 -0.55 1.20 0.00 0.00 173.24 174.29 1bsh s SER 108 N -2.91 -0.40 -0.50 5.45 0.15 -1.26 -4.65 113.70 109.58 1bsh s SER 108 Ca 0.13 0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.89 1bsh s SER 108 Cb 0.02 1.26 0.21 0.00 -1.71 0.00 0.00 66.02 65.79 1bsh s SER 108 CO -0.01 -0.07 0.74 1.57 1.20 0.00 0.00 173.24 176.67 1bsh n HIS 109 N 5.12 -3.31 0.00 3.44 -0.00 -1.26 -5.00 115.22 114.21 1bsh n HIS 109 Ca 0.09 -1.73 0.00 0.00 0.46 0.00 0.00 57.72 56.54 1bsh n HIS 109 Cb 0.58 1.34 0.00 0.00 -0.12 0.00 0.00 29.99 31.79 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 110 N 2.44 1.94 0.07 1.57 0.00 -1.26 -4.84 105.19 105.11 1bsh n GLY 110 Ca 0.16 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1bsh n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bsh h ASP 111 N 0.00 0.05 -0.33 1.61 1.82 -2.04 -3.35 116.42 114.19 1bsh h ASP 111 Ca 0.00 -0.73 -0.23 0.00 -0.39 0.00 0.00 57.03 55.68 1bsh h ASP 111 Cb 0.00 -0.02 -0.17 0.00 0.68 0.00 0.00 39.33 39.82 1bsh h ASP 111 CO 0.00 0.77 -0.53 1.33 -1.61 0.00 0.00 179.24 179.20 1bsh n VAL 112 N -4.69 2.40 0.00 2.25 0.24 -1.26 -4.62 118.33 112.65 1bsh n VAL 112 Ca -0.09 -3.53 0.00 0.00 -2.04 0.00 0.00 64.34 58.67 1bsh n VAL 112 Cb 0.38 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 -0.97 0.00 0.12 -1.34 2.03 -1.26 -3.41 116.55 111.72 1bsh n ASP 113 Ca 0.31 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.72 1bsh n ASP 113 Cb 0.83 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.71 1bsh n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bsh n TYR 114 N 0.00 0.69 -0.07 -0.67 9.36 -1.26 -2.06 117.16 123.15 1bsh n TYR 114 Ca 0.00 0.29 -0.12 0.00 3.32 0.00 0.00 57.90 61.39 1bsh n TYR 114 Cb 0.00 -0.97 0.01 0.00 -0.63 0.00 0.00 39.34 37.75 1bsh n TYR 114 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bsh h ALA 115 N 2.22 0.61 -0.00 2.98 0.00 -1.82 -2.74 119.26 120.51 1bsh h ALA 115 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1bsh h ALA 115 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bsh h ALA 115 CO 0.00 0.68 -0.11 1.04 0.00 0.00 0.00 179.25 180.85 1bsh n GLN 116 N -4.02 0.55 0.09 0.00 1.13 -0.88 -3.34 117.38 110.91 1bsh n GLN 116 Ca -0.03 -0.17 0.12 0.00 -1.94 0.00 0.00 57.00 54.98 1bsh n GLN 116 Cb 0.57 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.46 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bsh n ALA 117 N -1.08 2.66 0.10 -1.58 0.00 -1.05 -3.06 120.51 116.50 1bsh n ALA 117 Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1bsh n ALA 117 Cb 0.28 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.63 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 0.00 0.45 0.00 0.02 -1.53 -1.81 113.55 110.68 1bsh h SER 118 Ca 0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 1bsh h SER 118 Cb 0.93 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1bsh h SER 118 CO 0.00 0.82 -1.70 0.00 -1.14 0.00 0.00 176.83 174.81 1bsh h ALA 119 N 1.18 0.64 -0.00 3.77 0.00 -1.72 -3.08 119.26 120.04 1bsh h ALA 119 Ca -0.01 -1.38 -0.23 0.00 0.00 0.00 0.00 54.91 53.29 1bsh h ALA 119 Cb 1.46 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1bsh h ALA 119 CO 0.11 1.47 -0.94 0.93 0.00 0.00 0.00 179.25 180.82 1bsh h GLU 120 N 0.02 0.45 0.28 0.00 4.39 -1.59 -3.15 114.58 114.97 1bsh h GLU 120 Ca -0.29 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 58.92 1bsh h GLU 120 Cb 2.00 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.79 1bsh h GLU 120 CO 0.09 1.13 -0.13 1.25 -1.16 0.00 0.00 179.01 180.18 1bsh h LEU 121 N 0.25 -0.32 -1.55 1.33 6.46 -1.47 -3.15 115.31 116.86 1bsh h LEU 121 Ca -0.08 0.01 0.35 0.00 -0.12 0.00 0.00 57.88 58.04 1bsh h LEU 121 Cb 1.58 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 41.54 1bsh h LEU 121 CO 0.17 0.05 1.12 0.00 -0.62 0.00 0.00 178.44 179.15 1bsh h ALA 122 N -1.27 3.11 0.36 1.25 0.00 -1.68 0.31 119.26 121.34 1bsh h ALA 122 Ca -0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bsh h ALA 122 Cb 0.29 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bsh h ALA 122 CO 0.06 -1.74 -0.18 -0.22 0.00 0.00 0.00 179.25 177.18 1bsh h LYS 123 N 0.00 -0.47 0.00 0.00 3.64 -1.50 -2.39 116.57 115.85 1bsh h LYS 123 Ca 0.57 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.99 1bsh h LYS 123 Cb 2.81 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 34.73 1bsh h LYS 123 CO -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 179.45 176.95 1bsh n ALA 124 N -2.40 1.73 1.86 5.00 0.00 0.10 -2.11 120.51 124.69 1bsh n ALA 124 Ca -0.10 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1bsh n ALA 124 Cb 0.25 -1.34 0.68 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.92 0.02 0.09 0.00 2.08 -0.76 -3.56 119.36 115.31 1bsh n ILE 125 Ca 0.03 -0.07 -0.23 0.00 0.56 0.00 0.00 62.75 63.05 1bsh n ILE 125 Cb 0.22 -0.20 -0.15 0.00 -0.75 0.00 0.00 39.64 38.76 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh h ALA 126 N 3.88 0.09 0.00 -1.39 0.00 -1.37 -3.27 119.26 117.20 1bsh h ALA 126 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1bsh h ALA 126 Cb 0.11 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bsh h ALA 126 CO 0.00 0.96 0.00 0.94 0.00 0.00 0.00 179.25 181.15 1bsh n GLN 127 N -3.60 0.23 0.18 0.00 0.00 -1.23 -2.76 117.38 110.20 1bsh n GLN 127 Ca -0.22 0.06 0.10 0.00 -0.00 0.00 0.00 57.00 56.94 1bsh n GLN 127 Cb 1.08 -1.50 0.11 0.00 0.00 0.00 0.00 30.24 29.93 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1bsh h LEU 128 N 0.00 0.00 0.07 1.69 6.46 -1.69 -2.90 115.31 118.94 1bsh h LEU 128 Ca 0.00 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.47 1bsh h LEU 128 Cb 0.30 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1bsh h LEU 128 CO 0.00 0.11 -1.54 0.03 -0.62 0.00 0.00 178.44 176.42 1bsh h ARG 129 N 0.00 0.15 -0.01 1.25 2.47 -1.64 -3.26 114.38 113.33 1bsh h ARG 129 Ca -0.01 -0.26 -0.20 0.00 -1.26 0.00 0.00 59.98 58.25 1bsh h ARG 129 Cb 1.09 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1bsh h ARG 129 CO 0.01 0.95 -0.86 -0.39 0.56 0.00 0.00 179.97 180.25 1bsh h VAL 130 N 0.04 1.44 -0.48 2.04 -1.51 -1.63 -3.22 116.25 112.92 1bsh h VAL 130 Ca -0.24 -2.46 -0.01 0.00 -1.23 0.00 0.00 66.70 62.76 1bsh h VAL 130 Cb 1.98 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 33.49 1bsh h VAL 130 CO 0.13 0.73 0.26 -0.29 -1.23 0.00 0.00 177.57 177.17 1bsh h ILE 131 N 0.17 1.17 -1.25 7.19 2.10 -1.63 -1.78 117.51 123.49 1bsh h ILE 131 Ca -0.05 -0.44 0.38 0.00 1.08 0.00 0.00 64.86 65.82 1bsh h ILE 131 Cb 1.47 0.58 -0.11 0.00 -1.09 0.00 0.00 36.82 37.68 1bsh h ILE 131 CO 0.14 0.18 0.82 -0.33 -1.08 0.00 0.00 178.15 177.88 1bsh h GLU 132 N 0.64 0.17 0.42 2.19 4.39 -1.60 0.24 114.58 121.03 1bsh h GLU 132 Ca 0.17 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1bsh h GLU 132 Cb 0.06 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1bsh h GLU 132 CO -0.03 0.11 -0.20 -0.07 -1.16 0.00 0.00 179.01 177.66 1bsh h LEU 133 N 0.17 -0.48 -1.96 1.33 4.07 -1.45 -2.47 115.31 114.54 1bsh h LEU 133 Ca 0.73 -0.09 0.26 0.00 0.08 0.00 0.00 57.88 58.86 1bsh h LEU 133 Cb 2.25 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 44.08 1bsh h LEU 133 CO -0.32 -0.16 0.70 0.71 -1.08 0.00 0.00 178.44 178.28 1bsh h THR 134 N -0.81 0.46 0.36 0.22 1.35 -0.54 0.98 112.91 114.93 1bsh h THR 134 Ca -0.06 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1bsh h THR 134 Cb 0.54 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1bsh h THR 134 CO 0.09 0.00 -0.17 0.11 -0.25 0.00 0.00 175.52 175.30 1bsh h LYS 135 N 0.00 -0.47 -0.84 4.72 1.79 -0.89 -2.87 116.57 118.01 1bsh h LYS 135 Ca 0.43 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 1bsh h LYS 135 Cb 1.82 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 32.55 1bsh h LYS 135 CO -0.00 -0.17 0.04 1.63 -1.08 0.00 0.00 179.45 179.87 1bsh n LYS 136 N -5.19 2.58 -2.26 3.15 4.76 -0.24 -4.04 118.16 116.93 1bsh n LYS 136 Ca -0.10 -1.39 -0.21 0.00 -2.87 0.00 0.00 58.31 53.74 1bsh n LYS 136 Cb 0.27 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.68 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bsh n ALA 137 N 0.21 4.62 0.56 7.82 0.00 0.17 -5.05 120.51 128.84 1bsh n ALA 137 Ca 0.14 -3.73 0.04 0.00 0.00 0.00 0.00 53.44 49.90 1bsh n ALA 137 Cb 0.72 -0.47 0.27 0.00 0.00 0.00 0.00 19.45 19.97 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38