#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 0.03 -2.55 0.00 -0.00 -1.26 -5.06 117.12 108.28 1bsh n MET 2 Ca 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.70 57.57 1bsh n MET 2 Cb 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 33.22 33.36 1bsh n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1bsh n THR 3 N -0.10 -9.64 -1.16 3.17 -1.04 -1.26 -5.03 114.28 99.22 1bsh n THR 3 Ca 0.00 2.13 0.00 0.00 -2.04 0.00 0.00 64.05 64.14 1bsh n THR 3 Cb 0.07 -5.18 0.00 0.00 -1.82 0.00 0.00 70.33 63.40 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 1.94 0.00 -4.33 -1.42 0.18 0.35 -4.62 117.16 109.25 1bsh n TYR 4 Ca -0.19 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.39 1bsh n TYR 4 Cb 0.29 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.12 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 2.69 1.28 0.27 -3.48 5.65 -1.21 0.26 115.29 120.74 1bsh s HIS 5 Ca 0.00 -0.38 0.02 0.00 0.25 0.00 0.00 55.06 54.95 1bsh s HIS 5 Cb 0.00 -0.75 -0.05 0.00 -1.18 0.00 0.00 32.58 30.60 1bsh s HIS 5 CO 0.00 0.05 0.08 -0.48 -0.65 0.00 0.00 174.74 173.74 1bsh s LEU 6 N -1.28 1.76 -0.29 8.88 0.05 -0.27 0.46 118.68 127.99 1bsh s LEU 6 Ca 0.01 -1.37 -0.01 0.00 0.05 0.00 0.00 54.13 52.81 1bsh s LEU 6 Cb -0.08 -0.05 0.13 0.00 -2.05 0.00 0.00 46.19 44.13 1bsh s LEU 6 CO 0.02 -0.70 0.27 -0.62 -0.55 0.00 0.00 176.35 174.76 1bsh s ASP 7 N -3.34 1.94 -0.42 1.48 2.15 0.18 -2.82 116.67 115.86 1bsh s ASP 7 Ca 0.37 -0.81 -0.10 0.00 0.43 0.00 0.00 52.55 52.44 1bsh s ASP 7 Cb 0.08 0.37 0.07 0.00 -0.30 0.00 0.00 42.92 43.14 1bsh s ASP 7 CO 0.13 -0.39 0.26 0.54 -0.17 0.00 0.00 175.17 175.54 1bsh s VAL 8 N 2.32 4.40 0.08 1.11 0.11 -1.04 -1.83 120.40 125.54 1bsh s VAL 8 Ca 0.09 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 1bsh s VAL 8 Cb -0.14 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.04 1bsh s VAL 8 CO -0.33 -0.46 -0.12 0.68 -3.33 0.00 0.00 175.10 171.54 1bsh s VAL 9 N 1.47 1.00 -0.43 2.04 -7.23 -1.06 -4.12 120.40 112.07 1bsh s VAL 9 Ca 0.03 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1bsh s VAL 9 Cb -0.22 -1.08 0.24 0.00 0.56 0.00 0.00 36.38 35.87 1bsh s VAL 9 CO 0.03 -0.33 0.99 -1.20 -0.31 0.00 0.00 175.10 174.28 1bsh n SER 10 N 1.11 -2.36 0.00 4.85 7.64 -1.26 -1.74 113.62 121.86 1bsh n SER 10 Ca -0.20 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.19 1bsh n SER 10 Cb 0.55 1.36 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh n ALA 11 N 1.97 0.00 -2.85 -0.43 0.00 -1.26 -2.49 120.51 115.44 1bsh n ALA 11 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 11 Cb 0.64 -0.49 0.01 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.71 0.59 0.00 0.00 1.02 -1.26 -4.91 120.64 114.37 1bsh n GLU 12 Ca 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 1bsh n GLU 12 Cb 0.10 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1bsh n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n GLN 13 N 2.42 0.33 -2.32 3.49 10.64 -1.26 -4.41 117.38 126.27 1bsh n GLN 13 Ca 0.17 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.25 1bsh n GLN 13 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1bsh n GLN 14 N -0.66 -1.17 0.00 2.61 7.27 -1.26 -4.97 117.38 119.21 1bsh n GLN 14 Ca 0.00 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.46 1bsh n GLN 14 Cb 0.00 -4.26 0.00 0.00 2.41 0.00 0.00 30.24 28.39 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1bsh n MET 15 N -1.90 0.00 -3.62 3.69 2.81 -1.26 -5.06 117.12 111.79 1bsh n MET 15 Ca -0.08 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.67 1bsh n MET 15 Cb 0.56 -0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.94 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 -0.38 -0.21 2.03 2.19 -1.26 -5.03 117.98 115.31 1bsh s PHE 16 Ca 0.00 0.78 -0.04 0.00 0.33 0.00 0.00 56.93 58.00 1bsh s PHE 16 Cb 0.00 -0.13 0.10 0.00 -1.31 0.00 0.00 43.02 41.68 1bsh s PHE 16 CO 0.00 -0.40 0.22 -1.54 1.83 0.00 0.00 175.22 175.33 1bsh s SER 17 N 2.39 1.51 0.00 6.13 1.04 -1.26 -2.49 113.70 121.03 1bsh s SER 17 Ca 0.03 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1bsh s SER 17 Cb -0.13 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1bsh s SER 17 CO -0.09 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1bsh n GLY 18 N 5.31 0.68 2.92 7.32 0.00 -1.13 -4.98 105.19 115.32 1bsh n GLY 18 Ca -0.05 -1.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 1bsh n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bsh n LEU 19 N 0.00 -2.03 0.00 0.99 -0.00 -1.26 -1.11 117.00 113.59 1bsh n LEU 19 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 1bsh n LEU 19 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1bsh n LEU 19 CO 0.00 -2.58 0.00 0.55 -0.00 0.00 0.00 177.39 175.36 1bsh n VAL 20 N -3.65 0.00 0.00 1.47 3.14 0.73 -4.16 118.33 115.87 1bsh n VAL 20 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1bsh n VAL 20 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 1bsh n VAL 20 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1bsh n GLU 21 N -0.65 0.00 -3.75 1.45 -0.00 -0.98 0.13 120.64 116.84 1bsh n GLU 21 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.86 1bsh n GLU 21 Cb 0.00 -0.31 -0.10 0.00 -0.00 0.00 0.00 31.44 31.04 1bsh n GLU 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bsh n LYS 22 N -1.42 2.21 -3.91 3.44 4.01 -1.17 -4.02 118.16 117.30 1bsh n LYS 22 Ca 0.00 -4.52 -0.21 0.00 -0.51 0.00 0.00 58.31 53.07 1bsh n LYS 22 Cb 0.00 -2.33 -0.02 0.00 -0.51 0.00 0.00 35.03 32.17 1bsh n LYS 22 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 1bsh s ILE 23 N -1.62 4.90 -0.30 -0.18 -4.36 -1.14 -0.98 121.20 117.52 1bsh s ILE 23 Ca 0.28 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.51 1bsh s ILE 23 Cb -0.02 -3.70 0.16 0.00 1.25 0.00 0.00 42.46 40.15 1bsh s ILE 23 CO -0.13 -0.30 0.73 -1.58 0.24 0.00 0.00 174.94 173.89 1bsh s GLN 24 N -3.99 0.50 -0.39 0.37 0.74 0.12 -2.70 119.66 114.31 1bsh s GLN 24 Ca 0.36 1.11 -0.14 0.00 0.05 0.00 0.00 55.36 56.74 1bsh s GLN 24 Cb -0.09 0.66 0.01 0.00 1.10 0.00 0.00 33.01 34.69 1bsh s GLN 24 CO 0.29 -0.31 0.29 0.08 -0.55 0.00 0.00 175.29 175.09 1bsh s VAL 25 N 2.81 5.26 -0.40 1.34 1.01 -1.26 -0.92 120.40 128.25 1bsh s VAL 25 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1bsh s VAL 25 Cb -0.12 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1bsh s VAL 25 CO -0.19 -0.23 0.29 -0.89 0.00 0.00 0.00 175.10 174.08 1bsh s THR 26 N 1.70 5.24 0.00 3.92 2.01 -0.43 -4.09 115.64 123.99 1bsh s THR 26 Ca 0.05 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1bsh s THR 26 Cb -0.19 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1bsh s THR 26 CO 0.10 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 1bsh n GLY 27 N 5.15 3.50 3.20 4.40 0.00 -0.96 -2.75 105.19 117.73 1bsh n GLY 27 Ca -0.11 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1bsh n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bsh s SER 28 N 1.00 3.38 0.01 1.61 0.15 -1.26 -4.92 113.70 113.66 1bsh s SER 28 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1bsh s SER 28 Cb 0.00 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.80 1bsh s SER 28 CO 0.00 0.06 0.00 1.21 1.20 0.00 0.00 173.24 175.71 1bsh n GLU 29 N 4.20 -0.96 0.00 5.44 2.13 -1.26 -4.94 120.64 125.25 1bsh n GLU 29 Ca -0.20 1.10 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1bsh n GLU 29 Cb 0.51 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 31.05 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 0.34 -1.20 2.72 8.31 0.00 -1.26 -4.98 105.19 109.12 1bsh n GLY 30 Ca 0.00 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.11 0.75 -3.76 1.61 2.13 -1.26 -4.51 120.64 114.49 1bsh n GLU 31 Ca 0.00 -1.60 -0.13 0.00 0.66 0.00 0.00 57.16 56.09 1bsh n GLU 31 Cb 0.00 -1.02 -0.10 0.00 0.27 0.00 0.00 31.44 30.59 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 -1.36 0.70 0.00 4.31 1.43 -1.26 -4.92 118.68 117.58 1bsh s LEU 32 Ca 0.26 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1bsh s LEU 32 Cb 0.26 1.19 0.00 0.00 0.03 0.00 0.00 46.19 47.67 1bsh s LEU 32 CO -0.14 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1bsh n GLY 33 N 2.76 0.06 3.38 -3.19 0.00 -1.21 -4.13 105.19 102.87 1bsh n GLY 33 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 1.50 0.01 0.26 -0.61 -1.09 -1.10 -4.90 121.20 115.27 1bsh s ILE 34 Ca 0.00 -0.09 -0.00 0.00 -2.23 0.00 0.00 60.65 58.33 1bsh s ILE 34 Cb 0.00 -0.72 -0.03 0.00 -1.58 0.00 0.00 42.46 40.13 1bsh s ILE 34 CO 0.00 -0.05 0.25 -0.72 -1.23 0.00 0.00 174.94 173.19 1bsh s TYR 35 N -0.23 1.24 -0.81 3.97 1.13 -1.26 -2.90 117.35 118.50 1bsh s TYR 35 Ca -0.04 -1.38 -0.25 0.00 -1.41 0.00 0.00 57.07 53.98 1bsh s TYR 35 Cb -0.03 -0.47 -0.01 0.00 -1.10 0.00 0.00 41.96 40.34 1bsh s TYR 35 CO 0.03 -0.80 1.76 -1.25 -2.51 0.00 0.00 175.55 172.77 1bsh s PRO 36 N -3.81 2.82 0.00 -3.49 0.04 -1.26 -2.19 135.00 127.11 1bsh s PRO 36 Ca 0.37 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1bsh s PRO 36 Cb 0.04 -4.78 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1bsh s PRO 36 CO 0.17 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 174.78 1bsh n GLY 37 N 6.31 -0.17 3.74 0.56 0.00 -1.26 -5.00 105.19 109.37 1bsh n GLY 37 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.57 2.45 0.74 1.61 2.46 -0.93 -5.05 115.29 116.00 1bsh s HIS 38 Ca 0.00 1.15 -0.03 0.00 0.47 0.00 0.00 55.06 56.65 1bsh s HIS 38 Cb 0.00 -3.19 0.12 0.00 -0.13 0.00 0.00 32.58 29.38 1bsh s HIS 38 CO 0.00 -2.29 1.02 0.00 -2.47 0.00 0.00 174.74 171.01 1bsh s ALA 39 N -3.03 3.46 -0.68 1.58 0.00 -1.26 -4.99 121.76 116.83 1bsh s ALA 39 Ca 0.63 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.79 1bsh s ALA 39 Cb -0.17 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1bsh s ALA 39 CO 0.56 -1.51 1.45 -1.25 0.00 0.00 0.00 175.76 175.01 1bsh s PRO 40 N -5.22 3.06 0.01 0.00 0.04 -1.26 -4.99 135.00 126.63 1bsh s PRO 40 Ca 0.66 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.63 1bsh s PRO 40 Cb -0.06 -4.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 1bsh s PRO 40 CO 0.45 -2.28 0.41 -0.51 0.04 0.00 0.00 177.00 175.12 1bsh s LEU 41 N 6.67 4.47 -0.31 -3.56 2.01 -1.26 -4.96 118.68 121.73 1bsh s LEU 41 Ca 0.46 0.97 0.18 0.00 0.01 0.00 0.00 54.13 55.75 1bsh s LEU 41 Cb -0.10 -2.62 0.47 0.00 0.01 0.00 0.00 46.19 43.95 1bsh s LEU 41 CO 0.18 0.32 0.97 -0.11 1.01 0.00 0.00 176.35 178.71 1bsh n LEU 42 N 1.76 1.50 0.00 1.79 0.00 -1.26 -2.04 117.00 118.74 1bsh n LEU 42 Ca -0.14 -3.65 0.00 0.00 0.00 0.00 0.00 56.01 52.23 1bsh n LEU 42 Cb 0.52 0.43 0.00 0.00 0.00 0.00 0.00 43.42 44.37 1bsh n LEU 42 CO 0.38 1.50 0.00 0.35 0.00 0.00 0.00 177.39 179.62 1bsh n THR 43 N -0.13 0.00 -3.06 1.96 -2.24 -1.26 -5.00 114.28 104.55 1bsh n THR 43 Ca 0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1bsh n THR 43 Cb 0.82 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.09 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh s ALA 44 N -2.06 4.66 0.09 6.98 0.00 -1.26 -2.56 121.76 127.60 1bsh s ALA 44 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 51.96 49.98 1bsh s ALA 44 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1bsh s ALA 44 CO 0.00 -0.70 0.17 -1.50 0.00 0.00 0.00 175.76 173.74 1bsh s ILE 45 N -2.59 5.02 0.23 0.00 1.10 -1.14 -4.51 121.20 119.33 1bsh s ILE 45 Ca 0.59 -0.62 -0.26 0.00 -0.51 0.00 0.00 60.65 59.85 1bsh s ILE 45 Cb -0.07 -3.47 -0.09 0.00 0.15 0.00 0.00 42.46 38.98 1bsh s ILE 45 CO 0.37 0.08 0.86 -0.54 -2.11 0.00 0.00 174.94 173.60 1bsh s LYS 46 N -2.64 4.64 0.99 3.50 3.01 -1.26 -4.26 119.74 123.72 1bsh s LYS 46 Ca 0.33 1.28 -0.17 0.00 -1.01 0.00 0.00 55.97 56.40 1bsh s LYS 46 Cb -0.12 -3.12 0.23 0.00 -1.01 0.00 0.00 37.83 33.81 1bsh s LYS 46 CO 0.26 0.47 1.32 -0.35 0.51 0.00 0.00 175.35 177.55 1bsh n PRO 47 N 1.22 -1.42 0.00 -1.68 -0.04 -1.26 -4.64 135.00 127.18 1bsh n PRO 47 Ca -0.02 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1bsh n PRO 47 Cb 0.49 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1bsh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 48 N -3.76 0.92 3.76 0.55 0.00 -0.63 -2.26 105.19 103.76 1bsh n GLY 48 Ca 0.17 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 2.18 -0.19 1.61 0.23 -1.11 -2.45 119.30 119.57 1bsh s MET 49 Ca 0.00 -2.36 -0.11 0.00 -1.03 0.00 0.00 55.69 52.20 1bsh s MET 49 Cb 0.00 -1.57 0.06 0.00 -1.53 0.00 0.00 34.83 31.79 1bsh s MET 49 CO 0.00 -0.35 0.45 -1.50 -2.03 0.00 0.00 175.02 171.59 1bsh s ILE 50 N -2.86 -0.02 0.07 3.16 2.07 -1.09 -1.31 121.20 121.22 1bsh s ILE 50 Ca 0.09 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1bsh s ILE 50 Cb 0.02 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 1bsh s ILE 50 CO 0.05 0.03 0.24 -0.60 -1.91 0.00 0.00 174.94 172.75 1bsh s ARG 51 N 1.39 3.48 0.08 3.50 3.52 -0.10 -1.08 118.95 129.75 1bsh s ARG 51 Ca -0.09 -0.34 -0.11 0.00 -0.13 0.00 0.00 55.73 55.06 1bsh s ARG 51 Cb -0.08 -3.01 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1bsh s ARG 51 CO -0.13 0.59 0.24 -1.50 -0.81 0.00 0.00 175.30 173.69 1bsh s ILE 52 N -1.51 0.12 -0.29 4.11 2.07 -0.59 0.14 121.20 125.24 1bsh s ILE 52 Ca 0.35 -0.97 -0.04 0.00 -1.41 0.00 0.00 60.65 58.58 1bsh s ILE 52 Cb -0.13 -1.21 0.10 0.00 0.13 0.00 0.00 42.46 41.35 1bsh s ILE 52 CO 0.26 -0.54 0.13 -0.69 -1.91 0.00 0.00 174.94 172.19 1bsh s VAL 53 N -3.55 0.01 0.67 4.00 1.01 -0.16 -1.90 120.40 120.49 1bsh s VAL 53 Ca 0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.00 1bsh s VAL 53 Cb 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1bsh s VAL 53 CO -0.09 -0.73 1.17 -1.59 0.00 0.00 0.00 175.10 173.85 1bsh s LYS 54 N 2.03 2.60 0.23 2.72 -2.85 -0.99 -2.32 119.74 121.16 1bsh s LYS 54 Ca 0.09 1.64 -0.16 0.00 -1.00 0.00 0.00 55.97 56.55 1bsh s LYS 54 Cb -0.16 -1.90 0.27 0.00 -2.06 0.00 0.00 37.83 33.97 1bsh s LYS 54 CO -0.35 -1.45 1.57 0.37 0.10 0.00 0.00 175.35 175.58 1bsh h GLN 55 N 0.14 -0.03 -0.80 1.78 4.15 -1.83 0.26 115.11 118.78 1bsh h GLN 55 Ca -0.48 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.09 1bsh h GLN 55 Cb 1.28 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.83 1bsh h GLN 55 CO 0.53 -0.02 -0.24 1.25 -1.93 0.00 0.00 178.83 178.41 1bsh h HIS 56 N -0.03 -0.57 0.00 3.99 2.76 -1.96 -3.46 115.15 115.88 1bsh h HIS 56 Ca 0.35 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 1bsh h HIS 56 Cb 0.61 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1bsh h HIS 56 CO -0.78 -0.36 0.00 0.41 -1.30 0.00 0.00 177.93 175.90 1bsh n GLY 57 N -1.51 4.11 3.61 5.26 0.00 0.91 -5.10 105.19 112.45 1bsh n GLY 57 Ca 0.10 -0.63 -0.52 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 1.61 -3.88 1.61 8.25 -1.26 -4.52 115.22 117.03 1bsh n HIS 58 Ca 0.00 0.60 -0.36 0.00 -0.26 0.00 0.00 57.72 57.71 1bsh n HIS 58 Cb 0.00 -2.36 -0.12 0.00 1.12 0.00 0.00 29.99 28.64 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1bsh s GLU 59 N 0.79 3.76 0.05 -0.41 -1.05 -1.26 -2.35 118.70 118.22 1bsh s GLU 59 Ca 0.85 -0.44 0.08 0.00 -0.15 0.00 0.00 54.97 55.32 1bsh s GLU 59 Cb -0.95 -3.27 -0.03 0.00 -0.44 0.00 0.00 34.13 29.44 1bsh s GLU 59 CO 0.48 -0.02 -0.23 -2.00 0.95 0.00 0.00 175.26 174.44 1bsh s GLU 60 N 1.17 1.53 -0.08 -4.83 -6.30 -0.80 -4.89 118.70 104.51 1bsh s GLU 60 Ca 0.04 -1.01 0.02 0.00 -2.50 0.00 0.00 54.97 51.53 1bsh s GLU 60 Cb -0.14 -1.67 -0.02 0.00 0.00 0.00 0.00 34.13 32.29 1bsh s GLU 60 CO 0.03 0.43 -0.15 -0.59 0.02 0.00 0.00 175.26 175.00 1bsh s PHE 61 N -0.81 2.72 0.00 5.30 -0.71 -1.26 -1.54 117.98 121.68 1bsh s PHE 61 Ca 0.09 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 1bsh s PHE 61 Cb -0.09 -1.71 0.00 0.00 -1.21 0.00 0.00 43.02 40.01 1bsh s PHE 61 CO 0.02 0.00 0.00 -0.89 -1.34 0.00 0.00 175.22 173.01 1bsh n ILE 62 N 2.82 0.00 -3.55 -4.49 2.08 -0.24 -4.11 119.36 111.86 1bsh n ILE 62 Ca -0.18 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.12 1bsh n ILE 62 Cb 0.52 -0.34 -0.05 0.00 -0.75 0.00 0.00 39.64 39.02 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 1.99 -0.72 0.42 1.39 6.14 -1.26 -2.66 117.35 122.65 1bsh s TYR 63 Ca 0.00 1.34 0.03 0.00 0.64 0.00 0.00 57.07 59.09 1bsh s TYR 63 Cb 0.00 0.43 -0.02 0.00 0.42 0.00 0.00 41.96 42.79 1bsh s TYR 63 CO 0.00 -0.36 0.11 -0.51 0.64 0.00 0.00 175.55 175.43 1bsh s LEU 64 N 1.94 2.04 0.00 6.97 1.43 -1.03 -2.38 118.68 127.66 1bsh s LEU 64 Ca -0.06 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.36 1bsh s LEU 64 Cb -0.05 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1bsh s LEU 64 CO -0.17 -0.92 0.63 -1.20 0.23 0.00 0.00 176.35 174.93 1bsh n SER 65 N -1.31 0.69 0.00 2.29 7.64 -1.26 -1.61 113.62 120.06 1bsh n SER 65 Ca -0.08 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.48 1bsh n SER 65 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.16 4.75 0.00 0.23 0.00 -1.26 -4.75 105.19 103.99 1bsh n GLY 66 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.87 -0.61 2.94 -0.02 0.00 -1.26 -3.51 105.19 100.87 1bsh n GLY 67 Ca 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.45 0.61 0.00 -0.61 1.01 -0.73 -2.86 121.20 115.17 1bsh s ILE 68 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1bsh s ILE 68 Cb 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.89 1bsh s ILE 68 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.16 1bsh n LEU 69 N 3.60 0.00 -3.65 2.97 -0.00 -1.06 -1.78 117.00 117.08 1bsh n LEU 69 Ca -0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.79 1bsh n LEU 69 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 1bsh n LEU 69 CO 0.24 -0.14 1.20 -1.83 -0.00 0.00 0.00 177.39 176.86 1bsh s GLU 70 N -1.90 0.00 -0.10 1.47 -1.05 -0.70 -4.43 118.70 112.00 1bsh s GLU 70 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 54.97 54.76 1bsh s GLU 70 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 34.13 33.65 1bsh s GLU 70 CO 0.00 -0.00 0.14 0.54 0.95 0.00 0.00 175.26 176.89 1bsh s VAL 71 N -0.91 5.44 0.21 1.83 0.11 -0.87 -2.69 120.40 123.52 1bsh s VAL 71 Ca 0.10 0.12 0.07 0.00 -2.93 0.00 0.00 61.98 59.34 1bsh s VAL 71 Cb -0.01 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 31.39 1bsh s VAL 71 CO -0.10 0.56 -0.13 -1.10 -3.33 0.00 0.00 175.10 171.01 1bsh s GLN 72 N -1.19 1.33 -0.94 1.54 -0.21 0.26 -4.90 119.66 115.54 1bsh s GLN 72 Ca 0.17 -1.60 -0.24 0.00 0.02 0.00 0.00 55.36 53.71 1bsh s GLN 72 Cb -0.12 -1.08 0.01 0.00 1.00 0.00 0.00 33.01 32.81 1bsh s GLN 72 CO 0.07 0.16 1.67 -1.25 -2.12 0.00 0.00 175.29 173.81 1bsh s PRO 73 N -3.66 3.10 0.00 2.91 0.04 -1.26 -2.66 135.00 133.47 1bsh s PRO 73 Ca 0.23 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1bsh s PRO 73 Cb 0.00 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.39 1bsh s PRO 73 CO 0.07 -2.72 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1bsh n GLY 74 N 6.77 0.95 2.74 0.56 0.00 -1.26 -5.05 105.19 109.91 1bsh n GLY 74 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.91 -3.56 1.61 0.23 -1.09 -3.31 115.26 108.24 1bsh n ASN 75 Ca 0.00 -1.27 -0.17 0.00 -0.53 0.00 0.00 54.58 52.62 1bsh n ASN 75 Cb 0.00 1.42 -0.06 0.00 -2.08 0.00 0.00 39.78 39.06 1bsh n ASN 75 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1bsh s VAL 76 N -2.09 0.01 0.22 3.53 -7.23 0.17 -0.58 120.40 114.44 1bsh s VAL 76 Ca 0.20 -0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.28 1bsh s VAL 76 Cb -0.01 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.95 1bsh s VAL 76 CO 0.00 -0.06 0.07 0.42 -0.31 0.00 0.00 175.10 175.23 1bsh s THR 77 N -1.47 0.53 -0.30 5.32 -4.23 -1.10 -0.64 115.64 113.75 1bsh s THR 77 Ca -0.10 -1.99 -0.18 0.00 -1.18 0.00 0.00 61.69 58.24 1bsh s THR 77 Cb -0.01 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.58 1bsh s THR 77 CO 0.07 -0.17 1.16 0.54 -0.54 0.00 0.00 174.62 175.68 1bsh s VAL 78 N -3.77 -0.24 -0.04 2.29 0.11 -0.76 -1.73 120.40 116.26 1bsh s VAL 78 Ca 0.33 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1bsh s VAL 78 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 1bsh s VAL 78 CO 0.10 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 171.00 1bsh s LEU 79 N 2.19 2.97 0.00 2.54 1.43 -0.73 -2.57 118.68 124.50 1bsh s LEU 79 Ca -0.01 -0.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1bsh s LEU 79 Cb -0.03 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 1bsh s LEU 79 CO -0.17 0.33 0.11 0.00 0.23 0.00 0.00 176.35 176.85 1bsh n ALA 80 N 2.04 0.55 1.06 4.21 0.00 -0.71 -1.77 120.51 125.89 1bsh n ALA 80 Ca -0.17 -2.22 0.12 0.00 0.00 0.00 0.00 53.44 51.17 1bsh n ALA 80 Cb 0.52 1.40 0.12 0.00 0.00 0.00 0.00 19.45 21.50 1bsh n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bsh n ASP 81 N -1.44 2.40 -3.67 0.00 2.03 -1.23 -4.32 116.55 110.32 1bsh n ASP 81 Ca -0.11 -1.71 -0.14 0.00 0.52 0.00 0.00 54.79 53.35 1bsh n ASP 81 Cb 0.65 0.18 -0.08 0.00 -0.72 0.00 0.00 41.12 41.15 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 -2.20 0.01 -0.30 5.18 2.01 -1.24 -4.78 115.64 114.31 1bsh s THR 82 Ca 0.25 -0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.17 1bsh s THR 82 Cb 0.19 -0.78 0.13 0.00 0.01 0.00 0.00 72.50 72.05 1bsh s THR 82 CO 0.42 -0.04 0.28 0.00 -0.69 0.00 0.00 174.62 174.59 1bsh s ALA 83 N -0.28 -0.30 -0.71 7.40 0.00 -1.04 -4.18 121.76 122.66 1bsh s ALA 83 Ca -0.04 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1bsh s ALA 83 Cb -0.03 -1.78 0.18 0.00 0.00 0.00 0.00 23.12 21.48 1bsh s ALA 83 CO 0.03 -1.77 0.52 0.42 0.00 0.00 0.00 175.76 174.97 1bsh s ILE 84 N 2.19 3.48 1.01 0.00 1.09 -1.00 -4.75 121.20 123.22 1bsh s ILE 84 Ca 0.10 -3.65 -0.20 0.00 -1.10 0.00 0.00 60.65 55.80 1bsh s ILE 84 Cb -0.15 -3.25 -0.09 0.00 -1.06 0.00 0.00 42.46 37.91 1bsh s ILE 84 CO -0.29 -0.96 -0.72 -1.14 -0.10 0.00 0.00 174.94 171.73 1bsh n ARG 85 N 2.67 -0.33 0.02 2.79 0.63 -1.26 -4.28 116.66 116.90 1bsh n ARG 85 Ca 0.15 -0.09 -0.08 0.00 -0.92 0.00 0.00 57.85 56.91 1bsh n ARG 85 Cb 0.36 -1.26 -0.05 0.00 0.45 0.00 0.00 32.46 31.96 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 -1.28 -1.27 -3.60 5.14 0.00 -1.77 -1.51 103.07 98.78 1bsh h GLY 86 Ca -0.44 0.64 -0.43 0.00 0.00 0.00 0.00 47.33 47.10 1bsh h GLY 86 CO 0.27 -0.38 0.56 0.61 0.00 0.00 0.00 176.54 177.60 1bsh n GLN 87 N -4.05 2.07 -0.21 4.80 10.64 -1.26 -4.62 117.38 124.76 1bsh n GLN 87 Ca -0.04 -2.17 0.00 0.00 -1.83 0.00 0.00 57.00 52.97 1bsh n GLN 87 Cb 0.21 -1.85 0.09 0.00 -0.86 0.00 0.00 30.24 27.82 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1bsh h ASP 88 N 1.45 -0.41 0.00 2.61 1.82 -1.55 -3.45 116.42 116.90 1bsh h ASP 88 Ca 0.41 0.17 0.00 0.00 -0.39 0.00 0.00 57.03 57.22 1bsh h ASP 88 Cb 1.18 0.32 0.00 0.00 0.68 0.00 0.00 39.33 41.51 1bsh h ASP 88 CO 1.00 -0.16 0.00 -0.11 -1.61 0.00 0.00 179.24 178.36 1bsh n LEU 89 N -5.35 -1.31 -4.59 2.28 0.00 -1.26 -4.98 117.00 101.79 1bsh n LEU 89 Ca 0.08 0.57 -0.43 0.00 0.00 0.00 0.00 56.01 56.24 1bsh n LEU 89 Cb 0.35 1.52 -0.02 0.00 0.00 0.00 0.00 43.42 45.26 1bsh n LEU 89 CO 0.08 0.08 1.09 -1.81 0.00 0.00 0.00 177.39 176.82 1bsh s ASP 90 N -2.00 6.48 0.00 1.96 1.01 -1.26 -4.87 116.67 118.00 1bsh s ASP 90 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1bsh s ASP 90 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1bsh s ASP 90 CO 0.00 -1.42 0.00 -0.62 0.21 0.00 0.00 175.17 173.34 1bsh n GLU 91 N 8.23 0.00 0.12 8.23 1.02 -1.26 -4.42 120.64 132.55 1bsh n GLU 91 Ca 0.11 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 1bsh n GLU 91 Cb 0.49 -0.44 0.16 0.00 -0.02 0.00 0.00 31.44 31.63 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 -1.83 0.73 -0.00 0.62 0.00 -2.00 -3.22 119.26 113.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 92 CO 0.00 0.00 -0.01 0.54 0.00 0.00 0.00 179.25 179.78 1bsh n ARG 93 N -2.54 0.99 0.08 0.00 5.12 -1.26 -3.08 116.66 115.97 1bsh n ARG 93 Ca 0.03 -0.14 0.12 0.00 -1.93 0.00 0.00 57.85 55.93 1bsh n ARG 93 Cb 0.49 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.33 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bsh n ALA 94 N -0.88 2.72 -0.07 7.54 0.00 -1.22 -3.94 120.51 124.66 1bsh n ALA 94 Ca 0.22 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 1bsh n ALA 94 Cb 0.17 -1.09 0.05 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 0.75 -1.09 0.00 2.86 -1.74 -2.84 114.93 112.87 1bsh h MET 95 Ca 0.00 -0.38 0.30 0.00 -2.06 0.00 0.00 59.70 57.56 1bsh h MET 95 Cb 0.91 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.49 1bsh h MET 95 CO 0.00 1.00 0.72 1.49 1.06 0.00 0.00 176.91 181.18 1bsh h GLU 96 N 0.62 0.27 0.38 1.72 4.81 -1.75 0.27 114.58 120.89 1bsh h GLU 96 Ca 0.06 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1bsh h GLU 96 Cb 0.92 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1bsh h GLU 96 CO 0.08 0.18 -0.18 0.00 -0.73 0.00 0.00 179.01 178.36 1bsh h ALA 97 N 1.57 -0.50 -0.15 2.92 0.00 -1.72 -1.87 119.26 119.51 1bsh h ALA 97 Ca 0.60 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1bsh h ALA 97 Cb 1.76 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1bsh h ALA 97 CO -0.24 -0.70 0.29 -0.22 0.00 0.00 0.00 179.25 178.39 1bsh h LYS 98 N -0.68 0.00 0.23 0.00 3.11 -1.06 0.19 116.57 118.36 1bsh h LYS 98 Ca -0.05 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.78 1bsh h LYS 98 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1bsh h LYS 98 CO 0.08 0.00 -0.11 0.00 -2.81 0.00 0.00 179.45 176.62 1bsh h ARG 99 N 0.00 -0.29 0.00 1.90 2.47 -0.64 -1.70 114.38 116.12 1bsh h ARG 99 Ca 0.07 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1bsh h ARG 99 Cb 0.65 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1bsh h ARG 99 CO -0.00 -0.19 0.00 1.63 0.56 0.00 0.00 179.97 181.96 1bsh n LYS 100 N -4.72 0.08 0.03 0.04 5.02 -0.84 -1.80 118.16 115.97 1bsh n LYS 100 Ca -0.04 0.47 -0.17 0.00 -2.02 0.00 0.00 58.31 56.55 1bsh n LYS 100 Cb 0.12 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.28 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 101 N 2.16 0.42 0.00 7.82 0.00 -0.97 -3.30 119.26 125.40 1bsh h ALA 101 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.63 1bsh h ALA 101 Cb 0.13 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bsh h ALA 101 CO 0.00 1.28 0.10 1.49 0.00 0.00 0.00 179.25 182.13 1bsh h GLU 102 N 0.06 0.00 0.48 0.00 4.81 -0.49 -1.83 114.58 117.61 1bsh h GLU 102 Ca -0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1bsh h GLU 102 Cb 2.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.41 1bsh h GLU 102 CO 0.12 0.00 -0.23 1.49 -0.73 0.00 0.00 179.01 179.66 1bsh h GLU 103 N 0.00 -0.63 0.00 1.92 4.81 -1.63 -3.00 114.58 116.05 1bsh h GLU 103 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1bsh h GLU 103 Cb 0.21 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1bsh h GLU 103 CO 0.00 -0.33 0.00 1.58 -0.73 0.00 0.00 179.01 179.53 1bsh n HIS 104 N -5.24 0.28 0.93 0.92 -0.00 -0.92 -2.46 115.22 108.73 1bsh n HIS 104 Ca -0.10 0.10 0.12 0.00 0.46 0.00 0.00 57.72 58.29 1bsh n HIS 104 Cb 0.30 -0.66 0.54 0.00 -0.12 0.00 0.00 29.99 30.06 1bsh n HIS 104 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1bsh n ILE 105 N -1.74 0.33 -0.05 3.57 2.08 -0.73 -3.97 119.36 118.85 1bsh n ILE 105 Ca 0.05 0.08 -0.06 0.00 0.56 0.00 0.00 62.75 63.38 1bsh n ILE 105 Cb 0.27 -0.68 -0.04 0.00 -0.75 0.00 0.00 39.64 38.44 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1bsh h SER 106 N 0.00 -0.75 0.00 4.38 0.87 -1.45 -3.48 113.55 113.12 1bsh h SER 106 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1bsh h SER 106 Cb 0.34 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1bsh h SER 106 CO 0.00 -0.17 0.00 -0.24 -0.53 0.00 0.00 176.83 175.89 1bsh n SER 107 N -3.78 0.00 0.01 6.23 2.88 -1.25 -5.09 113.62 112.62 1bsh n SER 107 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1bsh n SER 107 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1bsh n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bsh n SER 108 N 0.00 -0.19 0.00 -3.46 7.64 -1.26 -4.91 113.62 111.44 1bsh n SER 108 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1bsh n SER 108 Cb 0.00 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1bsh n SER 108 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1bsh n HIS 109 N -2.57 0.00 -1.98 1.43 -0.00 -1.26 -4.92 115.22 105.91 1bsh n HIS 109 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1bsh n HIS 109 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.00 -0.53 7.00 1.57 0.00 -1.26 -4.91 105.19 107.06 1bsh n GLY 110 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1bsh n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bsh n ASP 111 N 0.00 0.00 -0.00 1.61 9.92 -1.26 -1.05 116.55 125.77 1bsh n ASP 111 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bsh n ASP 111 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bsh n VAL 112 N 0.00 0.00 0.00 2.53 0.24 -1.26 -4.40 118.33 115.44 1bsh n VAL 112 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1bsh n VAL 112 Cb 0.00 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 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 -1.27 0.00 0.22 -1.34 9.92 -0.21 -0.58 116.55 123.30 1bsh n ASP 113 Ca -0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1bsh n ASP 113 Cb 0.01 0.00 0.39 0.00 -0.64 0.00 0.00 41.12 40.88 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1bsh h TYR 114 N 0.00 0.00 0.00 1.24 3.20 -1.91 -2.71 116.97 116.80 1bsh h TYR 114 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bsh h TYR 114 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1bsh h TYR 114 CO 0.00 0.15 -0.01 0.00 -1.64 0.00 0.00 178.16 176.66 1bsh h ALA 115 N 1.85 1.06 0.00 1.82 0.00 -1.75 0.11 119.26 122.34 1bsh h ALA 115 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1bsh h ALA 115 Cb 0.83 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1bsh h ALA 115 CO 0.02 0.01 -0.60 1.96 0.00 0.00 0.00 179.25 180.64 1bsh h GLN 116 N 0.00 0.00 0.00 0.00 1.08 -0.49 -3.27 115.11 112.42 1bsh h GLN 116 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1bsh h GLN 116 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1bsh h GLN 116 CO 0.00 0.70 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 1bsh n ALA 117 N -3.13 2.31 -0.01 3.87 0.00 -1.11 -2.29 120.51 120.15 1bsh n ALA 117 Ca -0.17 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1bsh n ALA 117 Cb 0.46 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 1bsh n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bsh n SER 118 N -1.07 1.58 -0.01 0.00 2.88 0.37 -3.38 113.62 114.00 1bsh n SER 118 Ca 0.16 0.30 -0.06 0.00 -1.33 0.00 0.00 58.87 57.94 1bsh n SER 118 Cb 0.10 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.92 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh n ALA 119 N -2.80 1.64 1.13 -1.46 0.00 -1.15 -3.83 120.51 114.04 1bsh n ALA 119 Ca -0.25 -0.71 0.14 0.00 0.00 0.00 0.00 53.44 52.61 1bsh n ALA 119 Cb 1.05 -0.86 0.59 0.00 0.00 0.00 0.00 19.45 20.23 1bsh n ALA 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 120 N -2.98 0.17 -0.07 0.00 0.28 -0.97 -3.77 120.64 113.30 1bsh n GLU 120 Ca -0.15 -0.03 -0.19 0.00 -0.16 0.00 0.00 57.16 56.63 1bsh n GLU 120 Cb 0.98 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.23 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1bsh h LEU 121 N 0.07 0.09 -1.98 -1.84 7.12 -1.66 -3.30 115.31 113.81 1bsh h LEU 121 Ca 0.00 -0.73 0.00 0.00 0.13 0.00 0.00 57.88 57.28 1bsh h LEU 121 Cb 0.44 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1bsh h LEU 121 CO 0.00 1.38 0.06 0.00 -0.13 0.00 0.00 178.44 179.75 1bsh h ALA 122 N -0.24 1.05 -0.53 1.25 0.00 -1.66 -0.92 119.26 118.20 1bsh h ALA 122 Ca -0.24 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1bsh h ALA 122 Cb 1.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1bsh h ALA 122 CO -0.08 -0.05 0.04 0.87 0.00 0.00 0.00 179.25 180.03 1bsh h LYS 123 N 0.00 0.87 0.00 0.00 1.57 -1.65 -1.63 116.57 115.73 1bsh h LYS 123 Ca 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1bsh h LYS 123 Cb 0.12 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1bsh h LYS 123 CO 0.00 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 1bsh n ALA 124 N -2.47 2.17 1.16 3.86 0.00 -0.35 -2.67 120.51 122.20 1bsh n ALA 124 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1bsh n ALA 124 Cb 0.29 -1.44 0.56 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.88 0.00 -0.06 0.00 -0.00 -0.62 -3.74 119.36 113.06 1bsh n ILE 125 Ca 0.06 -0.02 -0.12 0.00 -0.00 0.00 0.00 62.75 62.67 1bsh n ILE 125 Cb 0.35 -0.23 -0.06 0.00 -0.00 0.00 0.00 39.64 39.69 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 3.22 0.25 0.00 -1.39 0.00 -1.44 -2.70 119.26 117.20 1bsh h ALA 126 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1bsh h ALA 126 Cb 0.44 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bsh h ALA 126 CO 0.00 0.06 -0.13 0.37 0.00 0.00 0.00 179.25 179.55 1bsh h GLN 127 N 0.05 0.00 0.00 0.00 -0.00 -1.77 -1.57 115.11 111.81 1bsh h GLN 127 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1bsh h GLN 127 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.04 1bsh h GLN 127 CO 0.03 0.13 0.00 -0.07 0.00 0.00 0.00 178.83 178.91 1bsh h LEU 128 N 0.00 0.00 0.00 -2.39 4.07 -1.61 -2.65 115.31 112.73 1bsh h LEU 128 Ca -0.00 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.74 1bsh h LEU 128 Cb 0.47 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1bsh h LEU 128 CO 0.02 0.00 -1.20 0.03 -1.08 0.00 0.00 178.44 176.20 1bsh h ARG 129 N 0.00 0.00 -0.48 1.13 3.08 -1.08 -3.31 114.38 113.72 1bsh h ARG 129 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bsh h ARG 129 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1bsh h ARG 129 CO 0.00 0.93 0.29 -0.39 -1.07 0.00 0.00 179.97 179.73 1bsh h VAL 130 N -1.00 1.14 -0.56 2.04 -1.51 -1.57 -1.37 116.25 113.41 1bsh h VAL 130 Ca -0.32 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1bsh h VAL 130 Cb 1.25 0.46 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 1bsh h VAL 130 CO -0.20 0.14 0.29 -0.29 -1.23 0.00 0.00 177.57 176.28 1bsh h ILE 131 N 0.66 1.18 -0.75 7.19 2.10 -1.63 -1.19 117.51 125.06 1bsh h ILE 131 Ca 0.17 -0.48 0.22 0.00 1.08 0.00 0.00 64.86 65.85 1bsh h ILE 131 Cb -0.02 0.45 -0.03 0.00 -1.09 0.00 0.00 36.82 36.12 1bsh h ILE 131 CO -0.03 0.20 0.67 -0.33 -1.08 0.00 0.00 178.15 177.58 1bsh h GLU 132 N 0.78 0.00 0.21 2.19 5.08 -1.33 -1.56 114.58 119.95 1bsh h GLU 132 Ca 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1bsh h GLU 132 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1bsh h GLU 132 CO -0.03 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.81 1bsh h LEU 133 N 0.00 -0.24 -1.83 1.33 4.07 -1.32 -3.23 115.31 114.10 1bsh h LEU 133 Ca 0.36 0.01 0.40 0.00 0.08 0.00 0.00 57.88 58.73 1bsh h LEU 133 Cb 1.70 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 43.43 1bsh h LEU 133 CO -0.00 0.15 0.96 0.71 -1.08 0.00 0.00 178.44 179.18 1bsh h THR 134 N -0.92 0.29 0.27 0.22 1.35 -1.36 -0.43 112.91 112.33 1bsh h THR 134 Ca -0.03 -0.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1bsh h THR 134 Cb 0.21 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1bsh h THR 134 CO 0.05 0.01 -0.16 0.11 -0.25 0.00 0.00 175.52 175.28 1bsh h LYS 135 N 0.07 -0.38 0.00 4.72 1.57 -1.35 -1.93 116.57 119.27 1bsh h LYS 135 Ca 0.69 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 1bsh h LYS 135 Cb 2.56 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.95 1bsh h LYS 135 CO -0.10 -0.25 0.00 -0.22 -0.57 0.00 0.00 179.45 178.30 1bsh h LYS 136 N -0.40 0.00 -0.12 3.15 3.64 -1.32 -1.85 116.57 119.68 1bsh h LYS 136 Ca -0.04 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1bsh h LYS 136 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1bsh h LYS 136 CO 0.04 0.00 -0.62 0.00 -2.27 0.00 0.00 179.45 176.61 1bsh h ALA 137 N 2.08 0.71 -0.01 5.00 0.00 -0.48 -3.52 119.26 123.04 1bsh h ALA 137 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1bsh h ALA 137 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1bsh h ALA 137 CO 0.00 0.72 0.00 -1.33 0.00 0.00 0.00 179.25 178.64