#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh n MET 2 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.05 117.12 110.81 1bsh n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1bsh n MET 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1bsh n MET 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1bsh n THR 3 N 0.00 0.00 -2.90 1.12 5.66 -1.26 -4.76 114.28 112.14 1bsh n THR 3 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1bsh n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n TYR 4 N 0.00 -0.27 -4.93 1.09 0.18 0.21 -4.83 117.16 108.60 1bsh n TYR 4 Ca 0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.47 1bsh n TYR 4 Cb 0.00 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.82 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 0.94 2.50 0.13 -3.48 5.65 -1.01 -0.34 115.29 119.68 1bsh s HIS 5 Ca 0.00 -0.30 0.05 0.00 0.25 0.00 0.00 55.06 55.06 1bsh s HIS 5 Cb 0.00 -1.50 -0.04 0.00 -1.18 0.00 0.00 32.58 29.86 1bsh s HIS 5 CO 0.00 0.14 -0.12 -0.48 -0.65 0.00 0.00 174.74 173.63 1bsh s LEU 6 N -1.01 2.45 -0.36 8.88 0.05 -0.85 -0.06 118.68 127.79 1bsh s LEU 6 Ca 0.12 -0.89 0.01 0.00 0.05 0.00 0.00 54.13 53.43 1bsh s LEU 6 Cb -0.10 -0.46 0.15 0.00 -2.05 0.00 0.00 46.19 43.73 1bsh s LEU 6 CO 0.02 -0.22 0.27 -0.62 -0.55 0.00 0.00 176.35 175.25 1bsh s ASP 7 N -2.73 2.29 0.05 1.48 -1.08 -0.38 -2.46 116.67 113.83 1bsh s ASP 7 Ca 0.12 -1.95 0.03 0.00 -0.52 0.00 0.00 52.55 50.23 1bsh s ASP 7 Cb -0.02 -0.03 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 1bsh s ASP 7 CO 0.02 -0.29 0.00 0.68 0.52 0.00 0.00 175.17 176.10 1bsh s VAL 8 N 1.22 4.08 -0.15 1.11 -7.23 -0.93 -2.06 120.40 116.43 1bsh s VAL 8 Ca 0.18 -0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 1bsh s VAL 8 Cb -0.20 -2.89 0.13 0.00 0.56 0.00 0.00 36.38 33.98 1bsh s VAL 8 CO -0.01 0.23 1.01 0.68 -0.31 0.00 0.00 175.10 176.70 1bsh s VAL 9 N -1.21 0.00 -0.13 1.32 -7.23 -1.13 -3.27 120.40 108.74 1bsh s VAL 9 Ca 0.23 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.43 1bsh s VAL 9 Cb -0.12 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.83 1bsh s VAL 9 CO 0.15 0.00 -0.22 -0.44 -0.31 0.00 0.00 175.10 174.28 1bsh s SER 10 N -1.26 3.12 -1.52 4.85 0.01 -1.26 -2.17 113.70 115.47 1bsh s SER 10 Ca -0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1bsh s SER 10 Cb -0.01 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.78 1bsh s SER 10 CO 0.00 0.09 0.00 0.00 0.41 0.00 0.00 173.24 173.74 1bsh n ALA 11 N 4.00 -0.60 -2.55 1.44 0.00 -1.19 -2.87 120.51 118.73 1bsh n ALA 11 Ca -0.20 0.17 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 1bsh n ALA 11 Cb 0.52 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.74 -1.10 -1.13 0.00 4.71 -1.26 -5.06 120.64 114.05 1bsh n GLU 12 Ca -0.19 1.31 0.00 0.00 -0.01 0.00 0.00 57.16 58.26 1bsh n GLU 12 Cb 0.63 -4.46 0.00 0.00 -1.01 0.00 0.00 31.44 26.60 1bsh n GLU 12 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1bsh n GLN 13 N -1.25 2.39 -3.74 3.49 7.27 -1.14 -5.09 117.38 119.32 1bsh n GLN 13 Ca 0.02 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.75 1bsh n GLN 13 Cb 0.46 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 33.02 1bsh n GLN 13 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1bsh s GLN 14 N -0.70 2.86 0.00 3.69 0.74 -1.26 -4.80 119.66 120.20 1bsh s GLN 14 Ca 0.00 -3.13 0.00 0.00 0.05 0.00 0.00 55.36 52.28 1bsh s GLN 14 Cb 0.00 -3.74 0.00 0.00 1.10 0.00 0.00 33.01 30.37 1bsh s GLN 14 CO 0.00 -1.24 0.00 -1.33 -0.55 0.00 0.00 175.29 172.17 1bsh n MET 15 N 2.49 0.00 -5.22 1.67 2.81 -1.26 -5.07 117.12 112.54 1bsh n MET 15 Ca 0.18 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.76 1bsh n MET 15 Cb 0.36 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.71 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 0.26 2.23 -0.29 2.03 5.36 -1.20 -5.06 117.98 121.31 1bsh s PHE 16 Ca 0.00 -0.47 -0.05 0.00 -0.96 0.00 0.00 56.93 55.45 1bsh s PHE 16 Cb 0.00 -1.44 0.19 0.00 -0.34 0.00 0.00 43.02 41.43 1bsh s PHE 16 CO 0.00 -0.07 0.87 -1.54 -1.46 0.00 0.00 175.22 173.01 1bsh s SER 17 N -0.48 -0.89 0.00 6.13 1.04 -1.26 -2.18 113.70 116.06 1bsh s SER 17 Ca 0.07 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1bsh s SER 17 Cb -0.10 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.59 1bsh s SER 17 CO -0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1bsh n GLY 18 N 5.24 -0.17 3.54 7.32 0.00 -1.03 -5.03 105.19 115.06 1bsh n GLY 18 Ca 0.07 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.78 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 0.89 0.00 0.99 1.43 -1.26 -2.00 118.68 118.73 1bsh s LEU 19 Ca 0.00 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1bsh s LEU 19 Cb 0.00 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.95 1bsh s LEU 19 CO 0.00 -3.98 0.00 0.55 0.23 0.00 0.00 176.35 173.15 1bsh n VAL 20 N -4.75 0.00 0.19 -1.59 3.14 0.54 -4.54 118.33 111.32 1bsh n VAL 20 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1bsh n VAL 20 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 -0.35 0.00 -2.72 1.45 2.13 -1.00 0.65 120.64 120.79 1bsh n GLU 21 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1bsh n GLU 21 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1bsh n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bsh n LYS 22 N -3.32 3.61 -3.89 5.31 3.00 -1.16 -4.00 118.16 117.72 1bsh n LYS 22 Ca 0.00 -3.83 -0.35 0.00 -0.00 0.00 0.00 58.31 54.13 1bsh n LYS 22 Cb 0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 35.03 32.08 1bsh n LYS 22 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bsh s ILE 23 N 0.38 5.46 -0.17 3.15 -4.36 -1.15 -1.22 121.20 123.28 1bsh s ILE 23 Ca 0.39 -0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.72 1bsh s ILE 23 Cb 0.03 -3.49 0.08 0.00 1.25 0.00 0.00 42.46 40.33 1bsh s ILE 23 CO 0.01 0.44 0.37 -1.58 0.24 0.00 0.00 174.94 174.42 1bsh s GLN 24 N -1.57 0.29 0.24 0.37 0.74 0.50 -1.18 119.66 119.05 1bsh s GLN 24 Ca 0.22 0.91 0.05 0.00 0.05 0.00 0.00 55.36 56.60 1bsh s GLN 24 Cb -0.12 0.18 -0.03 0.00 1.10 0.00 0.00 33.01 34.13 1bsh s GLN 24 CO 0.13 -0.24 0.36 0.54 -0.55 0.00 0.00 175.29 175.53 1bsh s VAL 25 N 2.34 5.26 -0.15 1.34 0.11 -1.20 -0.80 120.40 127.30 1bsh s VAL 25 Ca -0.02 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 1bsh s VAL 25 Cb -0.11 -3.85 0.05 0.00 -1.53 0.00 0.00 36.38 30.94 1bsh s VAL 25 CO -0.12 -0.32 0.07 -0.89 -3.33 0.00 0.00 175.10 170.51 1bsh s THR 26 N -1.97 0.08 0.00 5.04 2.01 -0.12 -3.31 115.64 117.37 1bsh s THR 26 Ca 0.34 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1bsh s THR 26 Cb -0.09 -0.63 0.00 0.00 0.01 0.00 0.00 72.50 71.79 1bsh s THR 26 CO 0.29 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1bsh n GLY 27 N 5.22 1.82 0.00 4.40 0.00 -1.10 -2.86 105.19 112.67 1bsh n GLY 27 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1bsh n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bsh n SER 28 N 0.00 0.27 -3.63 1.61 7.64 -1.26 -4.98 113.62 113.27 1bsh n SER 28 Ca 0.00 -0.99 -0.04 0.00 1.01 0.00 0.00 58.87 58.85 1bsh n SER 28 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1bsh n SER 28 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1bsh s GLU 29 N -0.00 0.55 0.00 1.43 -6.30 -1.26 -4.98 118.70 108.14 1bsh s GLU 29 Ca 0.00 1.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.48 1bsh s GLU 29 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 34.13 34.32 1bsh s GLU 29 CO 0.00 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1bsh n GLY 30 N 4.21 3.19 1.98 -1.50 0.00 -1.26 -4.82 105.19 106.99 1bsh n GLY 30 Ca -0.18 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -1.64 -3.84 1.61 1.02 -1.26 -4.86 120.64 111.66 1bsh n GLU 31 Ca 0.00 0.51 -0.09 0.00 -0.02 0.00 0.00 57.16 57.56 1bsh n GLU 31 Cb 0.00 -4.83 -0.07 0.00 -0.02 0.00 0.00 31.44 26.52 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 -4.04 1.17 0.00 -4.62 1.43 -1.21 -4.83 118.68 106.59 1bsh s LEU 32 Ca 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1bsh s LEU 32 Cb 0.00 1.19 0.00 0.00 0.03 0.00 0.00 46.19 47.41 1bsh s LEU 32 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 1bsh n GLY 33 N -0.12 0.70 3.42 -3.19 0.00 -1.07 -3.28 105.19 101.65 1bsh n GLY 33 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 1.38 0.00 0.46 -0.61 -1.09 -0.32 -4.89 121.20 116.13 1bsh s ILE 34 Ca 0.00 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1bsh s ILE 34 Cb 0.00 -0.73 -0.00 0.00 -1.58 0.00 0.00 42.46 40.14 1bsh s ILE 34 CO 0.00 -0.01 0.02 -1.22 -1.23 0.00 0.00 174.94 172.50 1bsh n TYR 35 N 2.70 0.96 -2.43 3.97 4.01 -1.26 -2.95 117.16 122.15 1bsh n TYR 35 Ca -0.14 -2.34 -0.39 0.00 -0.16 0.00 0.00 57.90 54.87 1bsh n TYR 35 Cb 0.56 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1bsh n TYR 35 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1bsh s PRO 36 N -3.66 3.17 0.00 -0.72 0.04 -1.26 -2.87 135.00 129.69 1bsh s PRO 36 Ca 0.03 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1bsh s PRO 36 Cb 0.00 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.90 1bsh s PRO 36 CO 0.02 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.10 1bsh n GLY 37 N 6.01 1.76 3.73 0.56 0.00 -1.26 -4.91 105.19 111.08 1bsh n GLY 37 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 1.94 0.44 1.61 2.46 -1.14 -5.03 115.29 113.58 1bsh s HIS 38 Ca 0.00 0.78 -0.09 0.00 0.47 0.00 0.00 55.06 56.22 1bsh s HIS 38 Cb 0.00 -3.42 -0.06 0.00 -0.13 0.00 0.00 32.58 28.98 1bsh s HIS 38 CO 0.00 -2.85 0.80 0.00 -2.47 0.00 0.00 174.74 170.21 1bsh s ALA 39 N -3.17 3.34 -1.26 1.58 0.00 -1.26 -4.89 121.76 116.09 1bsh s ALA 39 Ca 0.66 -0.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 1bsh s ALA 39 Cb -0.14 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.28 1bsh s ALA 39 CO 0.55 -0.15 1.86 -0.35 0.00 0.00 0.00 175.76 177.67 1bsh n PRO 40 N -1.66 2.67 -3.80 0.00 -0.04 -1.26 -4.83 135.00 126.09 1bsh n PRO 40 Ca 0.02 -2.91 -0.32 0.00 -0.04 0.00 0.00 63.50 60.26 1bsh n PRO 40 Cb 0.54 -3.49 -0.04 0.00 -0.04 0.00 0.00 33.50 30.47 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 5.35 4.32 -0.18 1.53 2.01 -1.26 -4.90 118.68 125.55 1bsh s LEU 41 Ca 0.57 0.44 -0.12 0.00 0.01 0.00 0.00 54.13 55.03 1bsh s LEU 41 Cb 0.05 -3.04 0.06 0.00 0.01 0.00 0.00 46.19 43.26 1bsh s LEU 41 CO 0.07 0.14 0.45 -1.48 1.01 0.00 0.00 176.35 176.54 1bsh s LEU 42 N -2.43 -0.06 0.00 1.79 2.34 -1.26 -1.85 118.68 117.21 1bsh s LEU 42 Ca 0.36 0.96 0.00 0.00 0.06 0.00 0.00 54.13 55.51 1bsh s LEU 42 Cb -0.13 1.52 0.00 0.00 -0.56 0.00 0.00 46.19 47.03 1bsh s LEU 42 CO 0.25 -0.19 0.00 1.07 -1.06 0.00 0.00 176.35 176.42 1bsh n THR 43 N 3.77 0.00 -4.27 5.48 5.66 -0.63 -4.99 114.28 119.31 1bsh n THR 43 Ca -0.20 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1bsh n THR 43 Cb 0.56 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.00 1.54 -0.18 1.79 0.00 -1.26 -2.78 121.76 119.86 1bsh s ALA 44 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 51.96 50.33 1bsh s ALA 44 Cb 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1bsh s ALA 44 CO 0.00 -0.11 0.12 -1.50 0.00 0.00 0.00 175.76 174.27 1bsh s ILE 45 N -3.33 5.36 0.27 0.00 1.10 -0.88 -4.48 121.20 119.25 1bsh s ILE 45 Ca 0.19 0.17 -0.30 0.00 -0.51 0.00 0.00 60.65 60.20 1bsh s ILE 45 Cb 0.03 -3.42 -0.10 0.00 0.15 0.00 0.00 42.46 39.12 1bsh s ILE 45 CO 0.02 0.49 1.41 -0.54 -2.11 0.00 0.00 174.94 174.21 1bsh s LYS 46 N 0.02 4.27 0.63 3.50 3.01 -1.26 -4.05 119.74 125.87 1bsh s LYS 46 Ca 0.09 2.30 -0.11 0.00 -1.01 0.00 0.00 55.97 57.25 1bsh s LYS 46 Cb -0.11 -3.09 -0.03 0.00 -1.01 0.00 0.00 37.83 33.58 1bsh s LYS 46 CO -0.00 -0.38 1.03 -1.25 0.51 0.00 0.00 175.35 175.26 1bsh s PRO 47 N -0.79 3.52 0.00 -1.68 0.04 -1.26 -4.71 135.00 130.11 1bsh s PRO 47 Ca 0.57 0.70 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1bsh s PRO 47 Cb -0.42 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1bsh s PRO 47 CO 0.47 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1bsh n GLY 48 N -2.77 0.23 3.71 0.56 0.00 -0.89 -2.72 105.19 103.32 1bsh n GLY 48 Ca 0.06 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.36 1bsh n GLY 48 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bsh s MET 49 N -0.11 2.14 -0.23 1.61 0.23 -1.14 -2.92 119.30 118.89 1bsh s MET 49 Ca 0.00 -2.36 -0.14 0.00 -1.03 0.00 0.00 55.69 52.16 1bsh s MET 49 Cb 0.00 -1.35 0.07 0.00 -1.53 0.00 0.00 34.83 32.02 1bsh s MET 49 CO 0.00 -0.38 0.57 -1.50 -2.03 0.00 0.00 175.02 171.68 1bsh s ILE 50 N -2.94 -0.01 -0.19 3.16 2.07 -0.84 -0.94 121.20 121.51 1bsh s ILE 50 Ca 0.09 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.26 1bsh s ILE 50 Cb 0.02 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.73 1bsh s ILE 50 CO 0.05 0.01 0.18 -0.60 -1.91 0.00 0.00 174.94 172.68 1bsh s ARG 51 N 1.39 4.20 0.09 3.50 3.52 0.02 -2.14 118.95 129.54 1bsh s ARG 51 Ca -0.09 -0.13 0.05 0.00 -0.13 0.00 0.00 55.73 55.44 1bsh s ARG 51 Cb -0.06 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1bsh s ARG 51 CO -0.15 0.26 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.97 1bsh s ILE 52 N 0.45 1.14 -0.23 4.11 2.07 -0.64 -0.37 121.20 127.72 1bsh s ILE 52 Ca 0.11 -1.49 -0.01 0.00 -1.41 0.00 0.00 60.65 57.85 1bsh s ILE 52 Cb -0.12 -1.25 0.07 0.00 0.13 0.00 0.00 42.46 41.29 1bsh s ILE 52 CO 0.00 -0.35 0.02 -0.69 -1.91 0.00 0.00 174.94 172.02 1bsh s VAL 53 N -1.75 0.92 -0.07 4.00 1.01 -0.36 -1.60 120.40 122.55 1bsh s VAL 53 Ca 0.02 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1bsh s VAL 53 Cb -0.07 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1bsh s VAL 53 CO 0.02 -0.29 1.65 -0.75 0.00 0.00 0.00 175.10 175.73 1bsh s LYS 54 N 1.66 4.14 0.22 2.72 2.20 -1.16 -2.38 119.74 127.14 1bsh s LYS 54 Ca 0.00 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 1bsh s LYS 54 Cb -0.18 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1bsh s LYS 54 CO -0.11 -0.89 0.00 0.94 -0.36 0.00 0.00 175.35 174.93 1bsh n GLN 55 N 7.17 0.00 -2.19 4.03 7.27 -1.26 -2.20 117.38 130.20 1bsh n GLN 55 Ca 0.17 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.83 1bsh n GLN 55 Cb 0.43 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.08 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1bsh n HIS 56 N 0.00 2.84 0.00 3.69 -0.00 -1.26 -4.77 115.22 115.72 1bsh n HIS 56 Ca 0.00 -2.81 0.00 0.00 -0.00 0.00 0.00 57.72 54.91 1bsh n HIS 56 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bsh n GLY 57 N 2.61 2.59 1.39 1.57 0.00 -0.94 -5.16 105.19 107.25 1bsh n GLY 57 Ca 0.47 -0.94 0.15 0.00 0.00 0.00 0.00 46.02 45.70 1bsh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsh n HIS 58 N -0.92 -3.61 0.00 1.61 8.25 -1.26 -3.22 115.22 116.08 1bsh n HIS 58 Ca 0.00 1.99 0.00 0.00 -0.26 0.00 0.00 57.72 59.45 1bsh n HIS 58 Cb 0.00 -3.27 0.00 0.00 1.12 0.00 0.00 29.99 27.84 1bsh n HIS 58 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1bsh n GLU 59 N -4.18 0.00 -4.20 -0.41 0.28 -1.26 -2.99 120.64 107.88 1bsh n GLU 59 Ca -0.08 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.77 1bsh n GLU 59 Cb 0.62 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.39 1bsh n GLU 59 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 1bsh s GLU 60 N 0.00 0.92 -0.08 3.44 -1.05 -0.63 -4.91 118.70 116.40 1bsh s GLU 60 Ca 0.00 -1.27 0.02 0.00 -0.15 0.00 0.00 54.97 53.57 1bsh s GLU 60 Cb 0.00 -0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 33.11 1bsh s GLU 60 CO 0.00 0.08 -0.13 -0.59 0.95 0.00 0.00 175.26 175.57 1bsh s PHE 61 N -2.79 2.77 0.38 4.83 -0.12 -1.26 -1.61 117.98 120.19 1bsh s PHE 61 Ca 0.10 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 56.76 1bsh s PHE 61 Cb -0.01 -1.72 -0.05 0.00 -0.63 0.00 0.00 43.02 40.62 1bsh s PHE 61 CO 0.00 0.07 0.17 0.42 -0.05 0.00 0.00 175.22 175.83 1bsh s ILE 62 N -0.36 2.62 -0.00 -4.49 1.09 -0.91 -3.00 121.20 116.15 1bsh s ILE 62 Ca 0.04 -1.68 0.05 0.00 -1.10 0.00 0.00 60.65 57.95 1bsh s ILE 62 Cb -0.12 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.29 1bsh s ILE 62 CO 0.02 -0.08 -0.15 -0.47 -0.10 0.00 0.00 174.94 174.16 1bsh s TYR 63 N -2.52 1.35 0.00 3.97 6.14 -1.26 -1.98 117.35 123.05 1bsh s TYR 63 Ca 0.40 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.84 1bsh s TYR 63 Cb 0.01 -0.86 0.00 0.00 0.42 0.00 0.00 41.96 41.53 1bsh s TYR 63 CO 0.23 -0.01 0.00 1.47 0.64 0.00 0.00 175.55 177.88 1bsh n LEU 64 N 2.59 0.00 -3.65 6.97 -0.00 -1.15 -2.24 117.00 119.52 1bsh n LEU 64 Ca -0.15 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.88 1bsh n LEU 64 Cb 0.55 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.90 1bsh n LEU 64 CO 0.24 0.00 1.08 -0.44 -0.00 0.00 0.00 177.39 178.27 1bsh s SER 65 N -0.65 -0.02 0.21 1.45 0.01 -1.23 -2.10 113.70 111.38 1bsh s SER 65 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1bsh s SER 65 Cb 0.00 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1bsh s SER 65 CO 0.00 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.25 1bsh n GLY 66 N 2.62 -3.53 0.00 3.44 0.00 -1.26 -3.16 105.19 103.31 1bsh n GLY 66 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.24 3.48 3.63 -0.02 0.00 -1.26 -3.06 105.19 106.71 1bsh n GLY 67 Ca 0.00 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.00 5.23 0.15 -0.61 1.09 -1.06 -2.08 121.20 121.92 1bsh s ILE 68 Ca 0.00 0.14 0.06 0.00 -1.10 0.00 0.00 60.65 59.74 1bsh s ILE 68 Cb 0.00 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 1bsh s ILE 68 CO 0.00 0.33 0.06 -0.22 -0.10 0.00 0.00 174.94 175.01 1bsh s LEU 69 N 1.21 3.57 -0.27 2.97 0.20 -1.12 -2.56 118.68 122.68 1bsh s LEU 69 Ca 0.07 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 54.64 1bsh s LEU 69 Cb -0.14 -2.22 0.16 0.00 -0.43 0.00 0.00 46.19 43.56 1bsh s LEU 69 CO 0.06 0.10 0.51 -1.83 -0.29 0.00 0.00 176.35 174.89 1bsh s GLU 70 N -2.87 0.47 0.23 1.98 -1.05 -0.56 -1.61 118.70 115.29 1bsh s GLU 70 Ca 0.29 0.84 0.04 0.00 -0.15 0.00 0.00 54.97 56.00 1bsh s GLU 70 Cb -0.10 0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 1bsh s GLU 70 CO 0.21 -0.59 0.35 0.54 0.95 0.00 0.00 175.26 176.72 1bsh s VAL 71 N 2.72 5.27 0.25 1.83 0.11 -0.77 -1.79 120.40 128.02 1bsh s VAL 71 Ca 0.15 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1bsh s VAL 71 Cb -0.15 -3.84 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1bsh s VAL 71 CO -0.18 -0.29 0.27 -1.10 -3.33 0.00 0.00 175.10 170.46 1bsh s GLN 72 N -3.85 1.47 -1.59 1.54 -0.21 0.92 -4.35 119.66 113.58 1bsh s GLN 72 Ca 0.34 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.96 1bsh s GLN 72 Cb -0.09 0.34 -0.06 0.00 1.00 0.00 0.00 33.01 34.20 1bsh s GLN 72 CO 0.29 -0.54 2.80 -0.35 -2.12 0.00 0.00 175.29 175.37 1bsh n PRO 73 N -0.40 3.55 0.00 2.91 -0.04 -1.26 -3.41 135.00 136.35 1bsh n PRO 73 Ca 0.02 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1bsh n PRO 73 Cb 0.64 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 3.64 0.38 3.72 0.55 0.00 -1.26 -5.11 105.19 107.11 1bsh n GLY 74 Ca 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.71 1bsh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsh s ASN 75 N 0.00 -0.19 0.17 1.61 4.22 -1.22 -2.42 114.94 117.11 1bsh s ASN 75 Ca 0.00 -0.34 -0.18 0.00 -2.14 0.00 0.00 52.86 50.21 1bsh s ASN 75 Cb 0.00 0.46 0.03 0.00 1.28 0.00 0.00 41.25 43.02 1bsh s ASN 75 CO 0.00 -0.83 0.49 0.54 -2.04 0.00 0.00 177.10 175.26 1bsh s VAL 76 N -3.21 0.04 0.07 3.54 0.11 0.91 -0.06 120.40 121.79 1bsh s VAL 76 Ca 0.11 -0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 58.35 1bsh s VAL 76 Cb -0.01 -1.39 0.04 0.00 -1.53 0.00 0.00 36.38 33.50 1bsh s VAL 76 CO 0.00 -0.16 0.44 0.42 -3.33 0.00 0.00 175.10 172.47 1bsh s THR 77 N -3.84 0.05 -0.29 5.04 -4.23 -0.74 -1.25 115.64 110.38 1bsh s THR 77 Ca 0.06 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 1bsh s THR 77 Cb -0.00 -1.01 0.12 0.00 1.34 0.00 0.00 72.50 72.96 1bsh s THR 77 CO -0.07 -0.23 0.89 0.54 -0.54 0.00 0.00 174.62 175.21 1bsh s VAL 78 N -2.80 0.00 -0.29 2.29 0.11 -0.88 -1.49 120.40 117.34 1bsh s VAL 78 Ca -0.03 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 1bsh s VAL 78 Cb -0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1bsh s VAL 78 CO -0.05 0.00 0.01 -0.76 -3.33 0.00 0.00 175.10 170.98 1bsh s LEU 79 N 1.42 3.79 0.00 2.54 1.02 -1.06 -2.82 118.68 123.57 1bsh s LEU 79 Ca -0.09 -1.06 0.04 0.00 0.02 0.00 0.00 54.13 53.03 1bsh s LEU 79 Cb -0.04 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.45 1bsh s LEU 79 CO -0.16 -0.23 0.30 0.00 0.02 0.00 0.00 176.35 176.28 1bsh n ALA 80 N 4.70 0.54 -0.00 4.21 0.00 -0.92 -2.55 120.51 126.49 1bsh n ALA 80 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1bsh n ALA 80 Cb 0.45 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1bsh n ASP 81 N -2.19 0.07 -4.63 0.00 5.75 -1.17 -3.17 116.55 111.21 1bsh n ASP 81 Ca 0.03 -0.52 -0.33 0.00 -0.01 0.00 0.00 54.79 53.95 1bsh n ASP 81 Cb 0.33 0.90 -0.10 0.00 -1.03 0.00 0.00 41.12 41.22 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1bsh s THR 82 N -0.90 3.90 -0.28 2.12 2.01 -1.19 -4.77 115.64 116.53 1bsh s THR 82 Ca 0.00 -0.53 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 1bsh s THR 82 Cb 0.00 -2.66 0.09 0.00 0.01 0.00 0.00 72.50 69.94 1bsh s THR 82 CO 0.00 0.50 0.74 0.00 -0.69 0.00 0.00 174.62 175.18 1bsh s ALA 83 N -0.93 -1.90 0.00 7.40 0.00 -1.26 -3.47 121.76 121.60 1bsh s ALA 83 Ca 0.15 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.40 1bsh s ALA 83 Cb -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.61 1bsh s ALA 83 CO 0.05 -0.36 0.00 -0.89 0.00 0.00 0.00 175.76 174.56 1bsh n ILE 84 N 3.77 0.00 -0.43 0.00 5.41 -0.95 -4.94 119.36 122.21 1bsh n ILE 84 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1bsh n ILE 84 Cb 0.58 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 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 -1.82 -1.23 -1.44 0.38 0.63 -1.26 -2.98 116.66 108.95 1bsh n ARG 85 Ca 0.00 0.90 -0.33 0.00 -0.92 0.00 0.00 57.85 57.50 1bsh n ARG 85 Cb 0.28 -1.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.02 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 -0.59 -0.47 2.69 5.14 0.00 -1.16 -1.40 105.19 109.39 1bsh n GLY 86 Ca 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 46.02 46.72 1bsh n GLY 86 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bsh n GLN 87 N 7.16 -1.44 -0.24 1.61 7.27 -1.26 -4.84 117.38 125.64 1bsh n GLN 87 Ca 0.64 1.53 0.18 0.00 0.07 0.00 0.00 57.00 59.42 1bsh n GLN 87 Cb 0.06 -4.92 0.50 0.00 2.41 0.00 0.00 30.24 28.29 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 1bsh h ASP 88 N 0.91 0.43 0.00 1.69 3.58 -1.13 -3.44 116.42 118.46 1bsh h ASP 88 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1bsh h ASP 88 Cb 0.92 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1bsh h ASP 88 CO 0.21 0.18 0.00 0.18 -2.88 0.00 0.00 179.24 176.92 1bsh n LEU 89 N -4.52 0.00 -0.38 2.28 4.77 -1.26 -5.08 117.00 112.81 1bsh n LEU 89 Ca 0.19 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1bsh n LEU 89 Cb 0.67 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1bsh n LEU 89 CO 0.31 0.00 -0.14 -0.67 -1.33 0.00 0.00 177.39 175.56 1bsh n ASP 90 N 0.00 -2.07 0.00 -1.43 2.03 -1.26 -4.86 116.55 108.95 1bsh n ASP 90 Ca 0.00 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.75 1bsh n ASP 90 Cb 0.00 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1bsh n GLU 91 N -2.06 2.79 0.03 -0.67 0.28 -1.26 -4.71 120.64 115.04 1bsh n GLU 91 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.86 1bsh n GLU 91 Cb 0.14 -0.86 -0.14 0.00 1.43 0.00 0.00 31.44 32.01 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 0.48 0.00 -1.84 0.00 -2.00 -3.20 119.26 112.70 1bsh h ALA 92 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 1bsh h ALA 92 Cb 0.67 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bsh h ALA 92 CO 0.00 1.33 -0.05 -0.09 0.00 0.00 0.00 179.25 180.44 1bsh h ARG 93 N 0.04 0.00 0.00 0.00 2.43 -1.91 -1.11 114.38 113.83 1bsh h ARG 93 Ca -0.25 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.78 1bsh h ARG 93 Cb 1.99 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.51 1bsh h ARG 93 CO 0.12 0.05 -1.16 0.00 -1.51 0.00 0.00 179.97 177.47 1bsh h ALA 94 N 1.95 0.64 0.00 2.80 0.00 -1.84 -3.28 119.26 119.54 1bsh h ALA 94 Ca -0.00 -0.68 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1bsh h ALA 94 Cb 0.22 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bsh h ALA 94 CO 0.01 0.77 -0.02 0.52 0.00 0.00 0.00 179.25 180.52 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.19 -1.62 114.93 114.98 1bsh h MET 95 Ca -0.11 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1bsh h MET 95 Cb 1.49 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.14 1bsh h MET 95 CO 0.05 0.02 -0.24 1.49 1.06 0.00 0.00 176.91 179.29 1bsh h GLU 96 N 0.00 0.00 -0.20 1.72 4.22 -1.59 -3.20 114.58 115.53 1bsh h GLU 96 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1bsh h GLU 96 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bsh h GLU 96 CO 0.00 0.24 0.06 0.00 -2.18 0.00 0.00 179.01 177.13 1bsh h ALA 97 N 1.76 1.74 0.00 2.92 0.00 -1.44 -0.36 119.26 123.88 1bsh h ALA 97 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1bsh h ALA 97 Cb 1.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bsh h ALA 97 CO 0.03 0.21 -0.45 1.57 0.00 0.00 0.00 179.25 180.61 1bsh h LYS 98 N 0.28 0.00 0.00 0.00 5.09 -1.67 -1.80 116.57 118.46 1bsh h LYS 98 Ca 0.07 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.66 1bsh h LYS 98 Cb 0.09 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.40 1bsh h LYS 98 CO -0.00 0.45 -0.82 -0.09 -2.09 0.00 0.00 179.45 176.90 1bsh h ARG 99 N 0.00 0.00 0.00 0.07 2.43 -1.24 -2.75 114.38 112.89 1bsh h ARG 99 Ca -0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1bsh h ARG 99 Cb 1.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1bsh h ARG 99 CO 0.06 0.60 -0.98 0.87 -1.51 0.00 0.00 179.97 179.01 1bsh h LYS 100 N 0.00 0.00 0.00 0.20 1.57 -1.01 -3.19 116.57 114.14 1bsh h LYS 100 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1bsh h LYS 100 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1bsh h LYS 100 CO 0.08 0.61 -0.48 0.00 -0.57 0.00 0.00 179.45 179.09 1bsh h ALA 101 N 1.27 0.76 0.08 3.86 0.00 -1.38 -3.09 119.26 120.75 1bsh h ALA 101 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1bsh h ALA 101 Cb 1.62 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.43 1bsh h ALA 101 CO 0.08 0.00 -1.14 1.49 0.00 0.00 0.00 179.25 179.68 1bsh h GLU 102 N 0.00 0.54 -0.14 0.00 4.57 -1.53 -2.94 114.58 115.07 1bsh h GLU 102 Ca 0.00 -0.68 -0.13 0.00 -1.18 0.00 0.00 59.36 57.37 1bsh h GLU 102 Cb 0.98 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1bsh h GLU 102 CO 0.00 1.28 -0.43 1.49 -1.18 0.00 0.00 179.01 180.17 1bsh h GLU 103 N 0.26 0.54 0.00 1.92 4.81 -1.64 -3.01 114.58 117.46 1bsh h GLU 103 Ca -0.15 -0.39 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1bsh h GLU 103 Cb 1.81 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 1bsh h GLU 103 CO 0.21 1.01 -0.01 1.25 -0.73 0.00 0.00 179.01 180.75 1bsh h HIS 104 N 0.16 0.00 -0.44 0.92 2.76 -1.62 0.15 115.15 117.07 1bsh h HIS 104 Ca -0.01 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.97 1bsh h HIS 104 Cb 1.06 0.00 -0.11 0.00 1.55 0.00 0.00 27.41 29.91 1bsh h HIS 104 CO 0.10 0.01 0.23 -0.89 -1.30 0.00 0.00 177.93 176.09 1bsh n ILE 105 N -4.24 1.91 0.57 6.26 5.41 -1.11 -3.88 119.36 124.28 1bsh n ILE 105 Ca -0.03 -0.90 0.11 0.00 1.00 0.00 0.00 62.75 62.93 1bsh n ILE 105 Cb 0.10 -0.62 -0.07 0.00 -0.71 0.00 0.00 39.64 38.34 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1bsh n SER 106 N -0.14 0.59 -3.94 4.38 2.88 0.04 -4.81 113.62 112.63 1bsh n SER 106 Ca 0.26 -0.41 -0.30 0.00 -1.33 0.00 0.00 58.87 57.08 1bsh n SER 106 Cb 0.99 1.14 -0.16 0.00 -0.75 0.00 0.00 64.21 65.43 1bsh n SER 106 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bsh s SER 107 N -3.76 3.70 0.07 -3.46 1.04 -1.25 -5.10 113.70 104.93 1bsh s SER 107 Ca 0.02 -1.10 -0.24 0.00 0.48 0.00 0.00 55.95 55.12 1bsh s SER 107 Cb 0.15 -1.15 0.06 0.00 0.10 0.00 0.00 66.02 65.18 1bsh s SER 107 CO 0.85 -0.22 0.57 -0.44 0.98 0.00 0.00 173.24 174.97 1bsh s SER 108 N 1.43 -0.51 0.00 7.02 0.01 -1.26 -4.88 113.70 115.51 1bsh s SER 108 Ca -0.05 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1bsh s SER 108 Cb -0.18 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.58 1bsh s SER 108 CO -0.07 -0.78 0.00 1.41 0.41 0.00 0.00 173.24 174.21 1bsh n HIS 109 N 0.23 0.00 -1.30 2.43 8.25 -1.26 -4.83 115.22 118.74 1bsh n HIS 109 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1bsh n HIS 109 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N 2.83 -1.20 5.72 -1.41 0.00 -1.26 -4.76 105.19 105.11 1bsh n GLY 110 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1bsh n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bsh n ASP 111 N 0.14 0.00 0.00 1.61 2.03 -1.26 -2.75 116.55 116.32 1bsh n ASP 111 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bsh n ASP 111 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1bsh n VAL 112 N 0.00 0.20 0.00 5.18 0.24 -1.26 -4.65 118.33 118.04 1bsh n VAL 112 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1bsh n VAL 112 Cb 0.00 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.10 0.00 0.20 -1.34 9.92 -1.11 -3.17 116.55 120.95 1bsh n ASP 113 Ca 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 1bsh n ASP 113 Cb 0.41 0.00 0.53 0.00 -0.64 0.00 0.00 41.12 41.43 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 -0.37 1.24 3.20 -1.85 -2.02 116.97 117.16 1bsh h TYR 114 Ca 0.00 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1bsh h TYR 114 Cb 0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1bsh h TYR 114 CO 0.00 0.00 -0.14 0.00 -1.64 0.00 0.00 178.16 176.38 1bsh h ALA 115 N 2.15 1.06 0.03 1.82 0.00 -1.83 -1.56 119.26 120.94 1bsh h ALA 115 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 1bsh h ALA 115 Cb 0.53 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1bsh h ALA 115 CO 0.00 0.57 -1.81 1.04 0.00 0.00 0.00 179.25 179.05 1bsh n GLN 116 N -4.16 0.66 0.24 0.00 1.13 -1.03 -3.94 117.38 110.29 1bsh n GLN 116 Ca 0.01 0.28 0.11 0.00 -1.94 0.00 0.00 57.00 55.46 1bsh n GLN 116 Cb 0.37 -1.76 0.61 0.00 0.11 0.00 0.00 30.24 29.56 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1bsh h ALA 117 N 0.77 1.19 -0.69 -1.58 0.00 -1.30 -2.62 119.26 115.02 1bsh h ALA 117 Ca -0.33 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.58 1bsh h ALA 117 Cb 2.03 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 1bsh h ALA 117 CO 0.08 0.22 0.47 1.03 0.00 0.00 0.00 179.25 181.05 1bsh h SER 118 N 0.00 0.20 0.82 0.00 0.87 -1.40 0.82 113.55 114.87 1bsh h SER 118 Ca -0.00 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 1bsh h SER 118 Cb 0.50 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1bsh h SER 118 CO 0.02 0.10 -1.27 0.00 -0.53 0.00 0.00 176.83 175.15 1bsh h ALA 119 N 1.67 0.65 -0.31 6.23 0.00 -1.70 -3.33 119.26 122.48 1bsh h ALA 119 Ca 0.33 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1bsh h ALA 119 Cb 1.01 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1bsh h ALA 119 CO -0.07 0.91 0.13 0.93 0.00 0.00 0.00 179.25 181.16 1bsh h GLU 120 N 0.00 0.45 0.14 0.00 4.39 -0.83 -1.31 114.58 117.42 1bsh h GLU 120 Ca -0.14 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.49 1bsh h GLU 120 Cb 1.58 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1bsh h GLU 120 CO 0.05 0.45 -0.15 1.25 -1.16 0.00 0.00 179.01 179.45 1bsh h LEU 121 N 0.35 -0.39 -2.50 1.33 6.46 -1.55 -0.45 115.31 118.56 1bsh h LEU 121 Ca 0.10 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1bsh h LEU 121 Cb 0.16 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1bsh h LEU 121 CO -0.01 -0.22 0.00 0.00 -0.62 0.00 0.00 178.44 177.59 1bsh h ALA 122 N 0.51 1.00 0.00 1.25 0.00 -1.63 -0.81 119.26 119.59 1bsh h ALA 122 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1bsh h ALA 122 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1bsh h ALA 122 CO -0.05 0.00 -0.56 -0.22 0.00 0.00 0.00 179.25 178.42 1bsh h LYS 123 N 0.00 0.00 0.00 0.00 3.64 0.13 -3.08 116.57 117.26 1bsh h LYS 123 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1bsh h LYS 123 Cb 0.05 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1bsh h LYS 123 CO 0.00 0.56 -1.32 0.00 -2.27 0.00 0.00 179.45 176.42 1bsh h ALA 124 N 1.44 0.63 -0.02 5.00 0.00 -1.00 -3.31 119.26 122.00 1bsh h ALA 124 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1bsh h ALA 124 Cb 1.02 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bsh h ALA 124 CO 0.07 0.74 0.00 -0.89 0.00 0.00 0.00 179.25 179.17 1bsh n ILE 125 N -2.85 0.02 -0.01 0.00 2.08 -0.99 -3.35 119.36 114.25 1bsh n ILE 125 Ca -0.08 -0.03 -0.14 0.00 0.56 0.00 0.00 62.75 63.07 1bsh n ILE 125 Cb 0.78 -0.12 -0.14 0.00 -0.75 0.00 0.00 39.64 39.42 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh n ALA 126 N -0.58 1.25 0.13 -1.39 0.00 -1.20 -3.99 120.51 114.74 1bsh n ALA 126 Ca 0.07 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.83 1bsh n ALA 126 Cb 0.05 -0.76 0.02 0.00 0.00 0.00 0.00 19.45 18.75 1bsh n ALA 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bsh h GLN 127 N 0.03 0.00 0.00 0.00 3.07 -1.77 -3.14 115.11 113.30 1bsh h GLN 127 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.39 1bsh h GLN 127 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.59 1bsh h GLN 127 CO 0.08 0.48 0.00 1.25 0.09 0.00 0.00 178.83 180.73 1bsh h LEU 128 N 0.00 0.00 0.00 0.06 6.46 -1.70 -2.79 115.31 117.34 1bsh h LEU 128 Ca -0.02 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.56 1bsh h LEU 128 Cb 1.40 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.30 1bsh h LEU 128 CO 0.06 0.00 -1.11 0.54 -0.62 0.00 0.00 178.44 177.31 1bsh n ARG 129 N -2.43 0.54 0.11 1.25 5.12 -1.19 -3.95 116.66 116.11 1bsh n ARG 129 Ca 0.02 0.56 0.16 0.00 -1.93 0.00 0.00 57.85 56.66 1bsh n ARG 129 Cb 0.27 -1.73 0.70 0.00 -1.16 0.00 0.00 32.46 30.54 1bsh n ARG 129 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1bsh h VAL 130 N -1.00 0.77 -0.52 1.55 -1.51 -1.57 -1.20 116.25 112.77 1bsh h VAL 130 Ca -0.27 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.15 1bsh h VAL 130 Cb 1.12 0.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 1bsh h VAL 130 CO -0.17 0.00 0.14 -0.29 -1.23 0.00 0.00 177.57 176.02 1bsh h ILE 131 N 0.00 1.24 0.00 7.19 2.10 -1.65 -1.87 117.51 124.52 1bsh h ILE 131 Ca 0.15 -0.83 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 1bsh h ILE 131 Cb 0.63 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.15 1bsh h ILE 131 CO -0.00 0.30 -0.01 -0.33 -1.08 0.00 0.00 178.15 177.03 1bsh h GLU 132 N 0.71 0.00 0.00 2.19 4.39 -1.34 -0.51 114.58 120.02 1bsh h GLU 132 Ca 0.16 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 1bsh h GLU 132 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1bsh h GLU 132 CO -0.00 0.01 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.74 1bsh h LEU 133 N 0.00 0.03 -1.09 1.33 4.07 -1.29 -3.21 115.31 115.14 1bsh h LEU 133 Ca -0.00 -0.81 0.00 0.00 0.08 0.00 0.00 57.88 57.15 1bsh h LEU 133 Cb 0.03 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.75 1bsh h LEU 133 CO 0.00 0.84 0.00 0.00 -1.08 0.00 0.00 178.44 178.20 1bsh h THR 134 N -0.77 0.00 -0.17 0.22 1.03 -1.15 -3.06 112.91 109.01 1bsh h THR 134 Ca -0.01 -0.42 0.05 0.00 -0.01 0.00 0.00 66.41 66.03 1bsh h THR 134 Cb 0.85 1.31 -0.06 0.00 -1.07 0.00 0.00 68.15 69.18 1bsh h THR 134 CO 0.01 0.00 -0.22 0.11 -0.01 0.00 0.00 175.52 175.40 1bsh h LYS 135 N 0.00 -0.25 -0.00 0.00 1.79 -1.10 -0.44 116.57 116.56 1bsh h LYS 135 Ca 0.00 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1bsh h LYS 135 Cb 0.47 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1bsh h LYS 135 CO 0.00 -0.17 -0.18 0.36 -1.08 0.00 0.00 179.45 178.38 1bsh n LYS 136 N -5.36 0.69 -0.00 3.15 2.85 -1.21 -3.84 118.16 114.45 1bsh n LYS 136 Ca -0.02 -0.32 0.04 0.00 -1.05 0.00 0.00 58.31 56.96 1bsh n LYS 136 Cb 0.27 -1.49 0.42 0.00 -0.65 0.00 0.00 35.03 33.58 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 3.59 1.68 0.00 0.58 0.00 -0.97 -3.53 119.26 120.62 1bsh h ALA 137 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bsh h ALA 137 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1bsh h ALA 137 CO 0.00 0.28 0.00 -0.12 0.00 0.00 0.00 179.25 179.41