#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 2.24 -1.66 0.00 0.00 -1.26 -4.49 117.12 111.94 1bsh n MET 2 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 57.70 58.49 1bsh n MET 2 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 33.22 30.80 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 0.80 -5.28 -2.47 2.03 -1.04 -1.26 -5.05 114.28 102.00 1bsh n THR 3 Ca 0.06 2.39 0.00 0.00 -2.04 0.00 0.00 64.05 64.45 1bsh n THR 3 Cb 0.36 -3.22 0.00 0.00 -1.82 0.00 0.00 70.33 65.65 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 0.21 0.00 -4.75 -1.42 4.11 0.06 -4.90 117.16 110.48 1bsh n TYR 4 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.66 1bsh n TYR 4 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N 0.73 1.46 0.11 -3.48 5.65 -0.74 -1.12 115.29 117.91 1bsh s HIS 5 Ca 0.00 -0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.01 1bsh s HIS 5 Cb 0.00 -0.96 -0.04 0.00 -1.18 0.00 0.00 32.58 30.40 1bsh s HIS 5 CO 0.00 -0.06 -0.07 -0.48 -0.65 0.00 0.00 174.74 173.47 1bsh s LEU 6 N -0.23 2.51 -0.28 8.88 0.05 -0.87 -0.75 118.68 127.99 1bsh s LEU 6 Ca 0.03 -1.01 0.00 0.00 0.05 0.00 0.00 54.13 53.20 1bsh s LEU 6 Cb -0.08 -0.14 0.15 0.00 -2.05 0.00 0.00 46.19 44.07 1bsh s LEU 6 CO 0.00 -0.43 0.35 -0.62 -0.55 0.00 0.00 176.35 175.10 1bsh s ASP 7 N -3.07 0.92 -0.24 1.48 2.15 0.21 -2.00 116.67 116.11 1bsh s ASP 7 Ca 0.13 -0.46 -0.09 0.00 0.43 0.00 0.00 52.55 52.56 1bsh s ASP 7 Cb 0.05 0.84 -0.04 0.00 -0.30 0.00 0.00 42.92 43.47 1bsh s ASP 7 CO -0.03 -0.36 0.12 0.54 -0.17 0.00 0.00 175.17 175.26 1bsh s VAL 8 N 2.46 4.94 0.04 1.11 0.11 -0.64 -1.39 120.40 127.04 1bsh s VAL 8 Ca 0.10 0.04 0.02 0.00 -2.93 0.00 0.00 61.98 59.21 1bsh s VAL 8 Cb -0.13 -3.30 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 1bsh s VAL 8 CO -0.29 0.35 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.06 1bsh s VAL 9 N 1.19 0.54 0.00 2.04 1.01 -0.79 -3.83 120.40 120.57 1bsh s VAL 9 Ca 0.06 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1bsh s VAL 9 Cb -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1bsh s VAL 9 CO 0.05 -0.31 0.00 -1.20 0.00 0.00 0.00 175.10 173.64 1bsh n SER 10 N 1.66 0.02 -1.40 3.32 7.64 -1.26 -2.32 113.62 121.29 1bsh n SER 10 Ca -0.21 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.59 1bsh n SER 10 Cb 0.55 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.81 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 -3.00 3.51 -2.70 -0.43 0.00 -1.26 -4.38 120.51 112.25 1bsh n ALA 11 Ca 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.49 1bsh n ALA 11 Cb 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.34 1bsh n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 12 N -0.00 0.27 -1.43 0.00 0.00 -1.26 -5.07 120.64 113.15 1bsh n GLU 12 Ca 0.19 -1.21 -0.46 0.00 0.00 0.00 0.00 57.16 55.67 1bsh n GLU 12 Cb 0.86 -0.46 -0.13 0.00 0.00 0.00 0.00 31.44 31.72 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1bsh n GLN 13 N 2.58 0.17 0.00 3.44 6.02 -1.26 -4.56 117.38 123.77 1bsh n GLN 13 Ca 0.13 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1bsh n GLN 13 Cb 0.62 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1bsh n GLN 14 N 8.25 0.00 0.00 -1.09 7.27 -1.26 -5.09 117.38 125.46 1bsh n GLN 14 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1bsh n GLN 14 Cb 0.07 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.72 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 0.00 0.00 -3.82 3.69 2.81 -1.26 -4.96 117.12 113.58 1bsh n MET 15 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1bsh n MET 15 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.40 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 -0.15 -0.33 2.03 5.36 -1.25 -5.05 117.98 118.59 1bsh s PHE 16 Ca 0.00 0.34 -0.08 0.00 -0.96 0.00 0.00 56.93 56.23 1bsh s PHE 16 Cb 0.00 0.04 0.19 0.00 -0.34 0.00 0.00 43.02 42.92 1bsh s PHE 16 CO 0.00 -0.18 1.04 -1.54 -1.46 0.00 0.00 175.22 173.08 1bsh s SER 17 N -0.42 -0.37 0.00 6.13 1.04 -1.26 -1.61 113.70 117.21 1bsh s SER 17 Ca -0.05 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1bsh s SER 17 Cb -0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1bsh s SER 17 CO 0.01 -0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1bsh n GLY 18 N 3.56 -0.58 3.70 7.32 0.00 -0.85 -5.00 105.19 113.34 1bsh n GLY 18 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 2.18 -0.21 0.99 1.43 -1.26 -2.06 118.68 119.75 1bsh s LEU 19 Ca 0.00 1.52 -0.31 0.00 -1.03 0.00 0.00 54.13 54.31 1bsh s LEU 19 Cb 0.00 -3.90 0.15 0.00 0.03 0.00 0.00 46.19 42.47 1bsh s LEU 19 CO 0.00 -2.78 1.17 0.54 0.23 0.00 0.00 176.35 175.52 1bsh s VAL 20 N -2.89 0.00 0.00 -1.59 0.11 -0.27 -4.02 120.40 111.74 1bsh s VAL 20 Ca 0.64 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1bsh s VAL 20 Cb -0.19 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1bsh s VAL 20 CO 0.57 0.00 -0.00 1.21 -3.33 0.00 0.00 175.10 173.55 1bsh n GLU 21 N 0.47 0.00 -3.92 1.54 2.13 -0.95 -0.76 120.64 119.14 1bsh n GLU 21 Ca -0.04 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.48 1bsh n GLU 21 Cb 0.58 -0.14 -0.15 0.00 0.27 0.00 0.00 31.44 32.00 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bsh s LYS 22 N -1.02 1.49 -0.25 5.31 2.47 -1.15 -4.42 119.74 122.17 1bsh s LYS 22 Ca -0.00 -1.08 -0.06 0.00 -1.56 0.00 0.00 55.97 53.27 1bsh s LYS 22 Cb 0.00 -2.58 -0.01 0.00 -1.46 0.00 0.00 37.83 33.78 1bsh s LYS 22 CO 0.00 -0.67 0.03 0.96 0.16 0.00 0.00 175.35 175.83 1bsh s ILE 23 N 1.38 3.87 -0.23 5.43 -5.25 -1.17 -1.02 121.20 124.20 1bsh s ILE 23 Ca -0.02 -0.41 -0.11 0.00 -0.99 0.00 0.00 60.65 59.11 1bsh s ILE 23 Cb -0.19 -2.83 -0.05 0.00 2.95 0.00 0.00 42.46 42.34 1bsh s ILE 23 CO -0.08 0.31 0.17 -1.10 -1.79 0.00 0.00 174.94 172.45 1bsh s GLN 24 N 1.54 4.09 -0.21 0.37 -1.52 -0.18 -0.83 119.66 122.91 1bsh s GLN 24 Ca 0.05 -0.24 -0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1bsh s GLN 24 Cb -0.15 -3.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.10 1bsh s GLN 24 CO 0.01 0.08 -0.06 0.08 -0.25 0.00 0.00 175.29 175.14 1bsh s VAL 25 N 1.01 3.22 -0.24 1.09 1.01 -1.25 -0.81 120.40 124.44 1bsh s VAL 25 Ca 0.08 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1bsh s VAL 25 Cb -0.13 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1bsh s VAL 25 CO 0.04 0.44 -0.07 -0.89 0.00 0.00 0.00 175.10 174.62 1bsh s THR 26 N 1.37 1.70 0.00 3.92 2.01 -0.90 -3.65 115.64 120.09 1bsh s THR 26 Ca 0.05 -1.33 0.00 0.00 0.31 0.00 0.00 61.69 60.72 1bsh s THR 26 Cb -0.14 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1bsh s THR 26 CO -0.04 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.43 1bsh n GLY 27 N 4.61 5.31 3.80 4.40 0.00 -1.26 -2.37 105.19 119.68 1bsh n GLY 27 Ca -0.13 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 1bsh n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bsh s SER 28 N 1.00 6.39 -0.07 1.61 0.01 -1.05 -4.78 113.70 116.82 1bsh s SER 28 Ca 0.00 0.46 -0.05 0.00 1.31 0.00 0.00 55.95 57.67 1bsh s SER 28 Cb 0.00 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 64.13 1bsh s SER 28 CO 0.00 0.28 0.09 1.21 0.41 0.00 0.00 173.24 175.23 1bsh n GLU 29 N 2.70 -2.07 -0.52 12.44 2.13 -1.26 -4.76 120.64 129.30 1bsh n GLU 29 Ca -0.17 1.83 0.07 0.00 0.66 0.00 0.00 57.16 59.55 1bsh n GLU 29 Cb 0.53 -2.72 -0.02 0.00 0.27 0.00 0.00 31.44 29.50 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 0.76 -2.10 0.00 8.31 0.00 -1.26 -4.99 105.19 105.91 1bsh n GLY 30 Ca -0.16 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bsh n GLU 31 N -3.01 0.00 -3.54 1.61 0.28 -1.26 -4.20 120.64 110.52 1bsh n GLU 31 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.70 1bsh n GLU 31 Cb 0.24 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.07 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bsh s LEU 32 N 0.00 4.17 0.46 -1.84 1.43 -1.24 -4.73 118.68 116.93 1bsh s LEU 32 Ca 0.00 0.59 0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1bsh s LEU 32 Cb 0.00 -3.37 0.03 0.00 0.03 0.00 0.00 46.19 42.88 1bsh s LEU 32 CO 0.00 -0.08 0.63 -0.83 0.23 0.00 0.00 176.35 176.30 1bsh s GLY 33 N -2.94 1.90 -0.22 -3.19 0.00 -1.26 -3.77 107.32 97.84 1bsh s GLY 33 Ca 0.42 -1.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.27 1bsh s GLY 33 CO 0.28 -1.51 0.19 -0.42 0.00 0.00 0.00 173.10 171.64 1bsh s ILE 34 N -2.44 5.35 0.37 0.90 -1.09 -0.01 -4.88 121.20 119.39 1bsh s ILE 34 Ca 0.57 0.27 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1bsh s ILE 34 Cb -0.09 -3.53 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1bsh s ILE 34 CO 0.35 0.35 0.04 -0.72 -1.23 0.00 0.00 174.94 173.72 1bsh s TYR 35 N 0.95 2.20 -0.91 3.97 1.13 -1.26 -3.03 117.35 120.41 1bsh s TYR 35 Ca 0.09 -0.84 -0.24 0.00 -1.41 0.00 0.00 57.07 54.67 1bsh s TYR 35 Cb -0.13 -1.52 -0.02 0.00 -1.10 0.00 0.00 41.96 39.19 1bsh s TYR 35 CO 0.04 0.20 1.81 -1.25 -2.51 0.00 0.00 175.55 173.85 1bsh s PRO 36 N -3.80 2.81 0.00 -3.49 0.04 -1.26 -2.11 135.00 127.18 1bsh s PRO 36 Ca 0.34 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1bsh s PRO 36 Cb 0.09 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.56 1bsh s PRO 36 CO 0.16 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1bsh n GLY 37 N 6.75 -0.18 3.59 0.56 0.00 -1.26 -4.88 105.19 109.76 1bsh n GLY 37 Ca 0.36 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.91 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 1.31 -0.58 1.61 -0.00 -0.90 -4.89 115.22 111.77 1bsh n HIS 38 Ca 0.00 0.68 -0.30 0.00 0.46 0.00 0.00 57.72 58.56 1bsh n HIS 38 Cb 0.00 -2.27 0.20 0.00 -0.12 0.00 0.00 29.99 27.80 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh n ALA 39 N 1.02 -3.73 -2.44 1.57 0.00 -1.26 -4.78 120.51 110.89 1bsh n ALA 39 Ca 0.13 -1.32 -0.39 0.00 0.00 0.00 0.00 53.44 51.87 1bsh n ALA 39 Cb 0.28 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1bsh n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bsh s PRO 40 N -3.74 3.51 -0.08 0.00 0.04 -1.26 -4.90 135.00 128.56 1bsh s PRO 40 Ca 0.58 -1.49 -0.07 0.00 0.04 0.00 0.00 61.00 60.06 1bsh s PRO 40 Cb -0.14 -5.40 -0.04 0.00 0.04 0.00 0.00 34.50 28.95 1bsh s PRO 40 CO 0.63 -2.64 0.18 -0.51 0.04 0.00 0.00 177.00 174.70 1bsh s LEU 41 N 6.09 4.39 -0.37 -3.56 2.01 -1.26 -4.99 118.68 120.99 1bsh s LEU 41 Ca 0.56 0.50 0.03 0.00 0.01 0.00 0.00 54.13 55.23 1bsh s LEU 41 Cb 0.01 -2.24 0.16 0.00 0.01 0.00 0.00 46.19 44.12 1bsh s LEU 41 CO 0.04 0.37 0.37 -0.22 1.01 0.00 0.00 176.35 177.91 1bsh s LEU 42 N -1.23 0.00 0.00 1.79 0.20 -1.26 -2.86 118.68 115.33 1bsh s LEU 42 Ca 0.19 -1.64 0.00 0.00 0.69 0.00 0.00 54.13 53.36 1bsh s LEU 42 Cb -0.13 0.52 0.00 0.00 -0.43 0.00 0.00 46.19 46.15 1bsh s LEU 42 CO 0.08 -0.26 0.00 0.35 -0.29 0.00 0.00 176.35 176.23 1bsh n THR 43 N 4.19 0.00 -3.02 3.68 -2.24 -1.19 -4.98 114.28 110.72 1bsh n THR 43 Ca 0.12 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 1bsh n THR 43 Cb 0.45 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.49 4.55 0.51 6.98 0.00 -1.26 -1.46 121.76 129.58 1bsh s ALA 44 Ca 0.00 -1.73 0.09 0.00 0.00 0.00 0.00 51.96 50.31 1bsh s ALA 44 Cb 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.57 1bsh s ALA 44 CO 0.00 -0.36 0.69 0.42 0.00 0.00 0.00 175.76 176.52 1bsh s ILE 45 N -2.39 2.54 0.00 0.00 -1.09 -0.10 -4.52 121.20 115.64 1bsh s ILE 45 Ca 0.56 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1bsh s ILE 45 Cb -0.09 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 1bsh s ILE 45 CO 0.34 0.00 -0.08 -0.54 -1.23 0.00 0.00 174.94 173.43 1bsh s LYS 46 N -4.53 2.52 -0.16 2.79 1.02 -1.25 -4.58 119.74 115.56 1bsh s LYS 46 Ca 0.59 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.55 1bsh s LYS 46 Cb -0.08 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1bsh s LYS 46 CO 0.36 0.60 1.13 -1.25 -0.92 0.00 0.00 175.35 175.27 1bsh s PRO 47 N -1.36 4.30 0.00 -1.68 0.04 0.15 -4.57 135.00 131.87 1bsh s PRO 47 Ca 0.16 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1bsh s PRO 47 Cb -0.11 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1bsh s PRO 47 CO 0.07 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1bsh n GLY 48 N 3.38 -0.56 2.88 0.56 0.00 -1.14 -2.52 105.19 107.78 1bsh n GLY 48 Ca 0.12 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 0.85 -3.65 1.61 0.00 -1.00 -2.83 117.12 112.11 1bsh n MET 49 Ca 0.00 -2.56 -0.12 0.00 0.00 0.00 0.00 57.70 55.02 1bsh n MET 49 Cb 0.00 0.22 -0.08 0.00 0.00 0.00 0.00 33.22 33.36 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 -2.01 -0.00 0.50 3.17 2.07 -1.07 -2.12 121.20 121.74 1bsh s ILE 50 Ca 0.26 0.01 0.08 0.00 -1.41 0.00 0.00 60.65 59.59 1bsh s ILE 50 Cb -0.02 -0.94 0.04 0.00 0.13 0.00 0.00 42.46 41.67 1bsh s ILE 50 CO 0.17 0.00 0.60 -0.13 -1.91 0.00 0.00 174.94 173.67 1bsh s ARG 51 N 0.81 2.47 -0.07 3.50 0.52 0.01 0.11 118.95 126.31 1bsh s ARG 51 Ca -0.04 -1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 53.29 1bsh s ARG 51 Cb -0.05 -2.54 0.10 0.00 0.52 0.00 0.00 34.95 32.98 1bsh s ARG 51 CO -0.06 -0.55 0.84 0.42 0.02 0.00 0.00 175.30 175.97 1bsh s ILE 52 N -2.57 0.00 -0.30 1.52 1.01 0.58 -1.01 121.20 120.43 1bsh s ILE 52 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 60.65 61.16 1bsh s ILE 52 Cb -0.06 -1.00 0.10 0.00 0.01 0.00 0.00 42.46 41.51 1bsh s ILE 52 CO 0.33 0.00 0.12 -0.69 0.00 0.00 0.00 174.94 174.69 1bsh s VAL 53 N -1.77 0.37 0.00 2.92 1.01 -0.19 -2.37 120.40 120.37 1bsh s VAL 53 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1bsh s VAL 53 Cb -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1bsh s VAL 53 CO 0.01 -0.71 0.00 1.17 0.00 0.00 0.00 175.10 175.57 1bsh n LYS 54 N 5.06 0.00 -1.74 2.72 4.81 -0.96 -2.25 118.16 125.80 1bsh n LYS 54 Ca -0.04 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.29 1bsh n LYS 54 Cb 0.42 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bsh n GLN 55 N 0.00 -1.65 -3.85 1.64 7.27 -1.25 -2.24 117.38 117.31 1bsh n GLN 55 Ca 0.00 0.60 -0.34 0.00 0.07 0.00 0.00 57.00 57.33 1bsh n GLN 55 Cb 0.00 -4.95 0.02 0.00 2.41 0.00 0.00 30.24 27.72 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 -2.31 -1.80 0.00 3.69 -0.00 -1.26 -4.41 115.22 109.13 1bsh n HIS 56 Ca -0.12 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.52 1bsh n HIS 56 Cb 0.45 -2.99 0.00 0.00 -0.12 0.00 0.00 29.99 27.33 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 57 N -1.85 -0.14 0.00 1.57 0.00 -0.95 -5.14 105.19 98.68 1bsh n GLY 57 Ca -0.17 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bsh n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 58 N 0.00 0.00 -4.21 1.61 -0.00 -0.96 -5.03 115.22 106.63 1bsh n HIS 58 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 1bsh n HIS 58 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1bsh s GLU 59 N 1.18 2.54 0.21 1.57 -1.05 -1.26 -2.26 118.70 119.62 1bsh s GLU 59 Ca 0.00 -1.22 -0.19 0.00 -0.15 0.00 0.00 54.97 53.42 1bsh s GLU 59 Cb 0.00 -2.35 0.03 0.00 -0.44 0.00 0.00 34.13 31.37 1bsh s GLU 59 CO 0.00 0.40 0.57 -1.21 0.95 0.00 0.00 175.26 175.97 1bsh s GLU 60 N -3.54 1.45 -0.08 -4.83 2.02 -1.00 -4.97 118.70 107.74 1bsh s GLU 60 Ca 0.31 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1bsh s GLU 60 Cb -0.08 0.55 0.01 0.00 0.10 0.00 0.00 34.13 34.71 1bsh s GLU 60 CO 0.21 -0.63 -0.12 -0.59 0.02 0.00 0.00 175.26 174.15 1bsh s PHE 61 N -3.87 1.56 0.00 1.61 -0.12 -1.26 -0.31 117.98 115.59 1bsh s PHE 61 Ca 0.09 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.33 1bsh s PHE 61 Cb -0.02 -1.16 0.00 0.00 -0.63 0.00 0.00 43.02 41.21 1bsh s PHE 61 CO -0.02 -0.35 0.00 -0.89 -0.05 0.00 0.00 175.22 173.91 1bsh n ILE 62 N 4.05 0.00 -3.60 -4.49 5.41 0.12 -3.93 119.36 116.92 1bsh n ILE 62 Ca -0.21 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.57 1bsh n ILE 62 Cb 0.51 -0.45 -0.06 0.00 -0.71 0.00 0.00 39.64 38.93 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bsh s TYR 63 N 2.54 -0.12 0.00 1.39 5.04 -1.26 -2.59 117.35 122.35 1bsh s TYR 63 Ca 0.00 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1bsh s TYR 63 Cb 0.00 0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.38 1bsh s TYR 63 CO 0.00 -0.06 0.00 1.47 -1.34 0.00 0.00 175.55 175.62 1bsh n LEU 64 N 3.32 0.00 0.00 6.97 -0.00 -1.13 -2.93 117.00 123.23 1bsh n LEU 64 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1bsh n LEU 64 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1bsh n LEU 64 CO 0.05 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.24 1bsh n SER 65 N -1.52 0.00 0.00 1.45 7.64 -1.26 -2.90 113.62 117.03 1bsh n SER 65 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bsh n SER 65 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsh n GLY 66 N 4.99 3.24 0.00 0.23 0.00 -1.26 -0.68 105.19 111.72 1bsh n GLY 66 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 3.61 -1.29 3.42 -0.02 0.00 -1.26 -4.31 105.19 105.34 1bsh n GLY 67 Ca 0.00 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 1bsh n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bsh s ILE 68 N 0.00 3.14 -0.24 -0.61 2.07 -0.10 -0.92 121.20 124.54 1bsh s ILE 68 Ca 0.00 -0.65 -0.02 0.00 -1.41 0.00 0.00 60.65 58.57 1bsh s ILE 68 Cb 0.00 -2.29 0.02 0.00 0.13 0.00 0.00 42.46 40.32 1bsh s ILE 68 CO 0.00 0.55 -0.07 -0.22 -1.91 0.00 0.00 174.94 173.29 1bsh s LEU 69 N -0.06 3.07 -0.15 8.50 0.20 -0.54 -1.50 118.68 128.20 1bsh s LEU 69 Ca -0.02 -0.76 -0.01 0.00 0.69 0.00 0.00 54.13 54.03 1bsh s LEU 69 Cb -0.14 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1bsh s LEU 69 CO 0.04 -0.10 -0.13 -1.83 -0.29 0.00 0.00 176.35 174.04 1bsh s GLU 70 N 1.35 3.35 -0.03 1.98 -1.05 -0.53 -3.17 118.70 120.60 1bsh s GLU 70 Ca 0.02 -0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 54.11 1bsh s GLU 70 Cb -0.16 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.81 1bsh s GLU 70 CO -0.05 0.12 0.18 0.54 0.95 0.00 0.00 175.26 177.00 1bsh s VAL 71 N 0.59 5.44 0.41 1.83 0.11 -1.13 -1.61 120.40 126.03 1bsh s VAL 71 Ca -0.08 -0.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 1bsh s VAL 71 Cb -0.16 -3.52 -0.05 0.00 -1.53 0.00 0.00 36.38 31.13 1bsh s VAL 71 CO 0.03 0.39 0.04 -1.10 -3.33 0.00 0.00 175.10 171.13 1bsh s GLN 72 N -1.75 1.92 -0.89 1.54 -0.21 0.11 -4.79 119.66 115.59 1bsh s GLN 72 Ca 0.25 -2.13 -0.25 0.00 0.02 0.00 0.00 55.36 53.26 1bsh s GLN 72 Cb -0.13 -1.25 0.03 0.00 1.00 0.00 0.00 33.01 32.66 1bsh s GLN 72 CO 0.16 -0.21 1.48 -1.25 -2.12 0.00 0.00 175.29 173.34 1bsh s PRO 73 N -3.80 3.28 0.00 2.91 0.04 -1.26 -3.24 135.00 132.93 1bsh s PRO 73 Ca 0.28 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1bsh s PRO 73 Cb 0.07 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1bsh s PRO 73 CO 0.14 -2.36 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1bsh n GLY 74 N 6.31 2.34 3.42 0.56 0.00 -1.26 -5.03 105.19 111.52 1bsh n GLY 74 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.48 -0.49 0.01 1.61 2.20 -1.20 -1.78 114.94 113.81 1bsh s ASN 75 Ca 0.00 0.34 0.01 0.00 -0.94 0.00 0.00 52.86 52.27 1bsh s ASN 75 Cb 0.00 0.49 -0.01 0.00 -2.00 0.00 0.00 41.25 39.73 1bsh s ASN 75 CO 0.00 -0.66 -0.04 0.54 -2.94 0.00 0.00 177.10 174.00 1bsh s VAL 76 N -1.96 0.24 0.04 3.54 0.11 0.07 0.06 120.40 122.51 1bsh s VAL 76 Ca -0.08 -0.46 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1bsh s VAL 76 Cb -0.01 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1bsh s VAL 76 CO 0.02 -0.15 -0.13 0.42 -3.33 0.00 0.00 175.10 171.94 1bsh s THR 77 N -0.61 1.02 -0.06 5.04 -4.23 -0.63 0.63 115.64 116.81 1bsh s THR 77 Ca -0.05 -1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 1bsh s THR 77 Cb -0.05 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1bsh s THR 77 CO -0.00 -0.08 0.31 0.68 -0.54 0.00 0.00 174.62 175.00 1bsh s VAL 78 N -0.96 0.04 0.12 2.29 -7.23 -0.49 -1.46 120.40 112.72 1bsh s VAL 78 Ca -0.00 -0.30 0.09 0.00 -1.81 0.00 0.00 61.98 59.96 1bsh s VAL 78 Cb -0.08 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1bsh s VAL 78 CO 0.01 -0.16 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.21 1bsh s LEU 79 N -0.74 2.34 0.00 1.32 0.20 -0.57 -1.89 118.68 119.35 1bsh s LEU 79 Ca -0.08 -0.74 0.00 0.00 0.69 0.00 0.00 54.13 53.99 1bsh s LEU 79 Cb -0.04 -0.92 0.00 0.00 -0.43 0.00 0.00 46.19 44.80 1bsh s LEU 79 CO 0.03 0.05 0.00 0.00 -0.29 0.00 0.00 176.35 176.14 1bsh n ALA 80 N 0.84 0.00 -0.01 5.97 0.00 -0.98 -0.92 120.51 125.41 1bsh n ALA 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1bsh n ALA 80 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.23 4.26 -4.75 0.00 2.03 -1.26 -4.29 116.55 111.31 1bsh n ASP 81 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 1bsh n ASP 81 Cb 0.00 0.90 -0.06 0.00 -0.72 0.00 0.00 41.12 41.24 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 -2.16 3.05 -0.34 5.18 2.01 -1.26 -4.27 115.64 117.84 1bsh s THR 82 Ca -0.01 -1.64 -0.00 0.00 0.31 0.00 0.00 61.69 60.35 1bsh s THR 82 Cb 0.02 -3.01 0.28 0.00 0.01 0.00 0.00 72.50 69.80 1bsh s THR 82 CO 0.13 -0.17 1.24 0.00 -0.69 0.00 0.00 174.62 175.13 1bsh n ALA 83 N -1.20 -3.24 -3.11 7.40 0.00 -1.26 -4.28 120.51 114.82 1bsh n ALA 83 Ca -0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1bsh n ALA 83 Cb 0.61 -3.00 0.00 0.00 0.00 0.00 0.00 19.45 17.06 1bsh n ALA 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 84 N 1.29 4.97 -0.89 0.00 -0.00 -1.15 -4.98 119.36 118.60 1bsh n ILE 84 Ca 0.01 -5.78 -0.36 0.00 -0.00 0.00 0.00 62.75 56.62 1bsh n ILE 84 Cb 0.71 -2.18 0.08 0.00 -0.00 0.00 0.00 39.64 38.25 1bsh n ILE 84 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1bsh n ARG 85 N 1.57 -0.46 -0.20 0.38 1.85 -1.25 -4.60 116.66 113.95 1bsh n ARG 85 Ca 0.26 -0.13 0.01 0.00 -1.00 0.00 0.00 57.85 56.99 1bsh n ARG 85 Cb 0.35 -1.26 0.11 0.00 -1.05 0.00 0.00 32.46 30.61 1bsh n ARG 85 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1bsh h GLY 86 N -1.34 0.82 0.00 2.89 0.00 -1.76 -3.14 103.07 100.54 1bsh h GLY 86 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1bsh h GLY 86 CO 0.27 -0.08 0.00 -1.06 0.00 0.00 0.00 176.54 175.67 1bsh n GLN 87 N -5.08 0.00 -1.32 4.80 1.13 -1.26 -4.42 117.38 111.24 1bsh n GLN 87 Ca 0.09 0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 55.19 1bsh n GLN 87 Cb 0.31 -1.00 -0.05 0.00 0.11 0.00 0.00 30.24 29.61 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1bsh n ASP 88 N -0.66 -4.29 -3.87 1.08 2.03 -1.19 -2.04 116.55 107.61 1bsh n ASP 88 Ca 0.00 0.31 -0.30 0.00 0.52 0.00 0.00 54.79 55.33 1bsh n ASP 88 Cb 0.00 -3.61 -0.04 0.00 -0.72 0.00 0.00 41.12 36.74 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bsh n LEU 89 N -1.62 -0.87 -4.06 -2.67 4.77 -1.26 -4.87 117.00 106.41 1bsh n LEU 89 Ca -0.13 -0.69 -0.10 0.00 -0.03 0.00 0.00 56.01 55.06 1bsh n LEU 89 Cb 0.49 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.90 1bsh n LEU 89 CO 0.19 0.11 -0.03 -1.81 -1.33 0.00 0.00 177.39 174.53 1bsh s ASP 90 N -2.89 0.04 0.00 -1.43 1.01 -0.86 -5.11 116.67 107.42 1bsh s ASP 90 Ca 0.57 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1bsh s ASP 90 Cb -0.33 0.47 0.00 0.00 1.01 0.00 0.00 42.92 44.07 1bsh s ASP 90 CO 0.70 -0.97 0.00 -0.62 0.21 0.00 0.00 175.17 174.50 1bsh n GLU 91 N -0.29 0.00 0.27 8.23 1.02 -1.26 -4.90 120.64 123.70 1bsh n GLU 91 Ca -0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1bsh n GLU 91 Cb 0.64 0.00 0.76 0.00 -0.02 0.00 0.00 31.44 32.82 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 0.90 1.46 0.00 0.62 0.00 -1.99 -1.46 119.26 118.78 1bsh h ALA 92 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bsh h ALA 92 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bsh h ALA 92 CO 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 1bsh h ARG 93 N 0.00 0.00 0.00 0.00 2.47 -2.00 -1.48 114.38 113.37 1bsh h ARG 93 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bsh h ARG 93 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1bsh h ARG 93 CO 0.01 0.12 -0.94 0.00 0.56 0.00 0.00 179.97 179.72 1bsh n ALA 94 N -2.28 2.88 -0.04 0.04 0.00 -0.56 -3.54 120.51 117.00 1bsh n ALA 94 Ca -0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1bsh n ALA 94 Cb 0.24 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 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 0.08 0.00 0.00 2.86 -1.16 -3.27 114.93 113.44 1bsh h MET 95 Ca 0.00 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1bsh h MET 95 Cb 0.85 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1bsh h MET 95 CO 0.00 1.07 0.00 0.39 1.06 0.00 0.00 176.91 179.43 1bsh n GLU 96 N -4.46 0.02 0.22 1.72 -0.58 -0.81 -2.34 120.64 114.41 1bsh n GLU 96 Ca -0.13 0.19 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1bsh n GLU 96 Cb 0.59 -1.50 0.19 0.00 -0.57 0.00 0.00 31.44 30.15 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bsh h ALA 97 N 2.63 1.00 -0.01 0.62 0.00 -1.61 -3.04 119.26 118.85 1bsh h ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 97 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bsh h ALA 97 CO 0.00 0.00 -0.06 0.36 0.00 0.00 0.00 179.25 179.55 1bsh n LYS 98 N -3.09 1.27 0.05 0.00 -0.00 -0.99 -3.81 118.16 111.59 1bsh n LYS 98 Ca 0.04 -0.63 -0.18 0.00 -0.00 0.00 0.00 58.31 57.54 1bsh n LYS 98 Cb 0.52 -1.49 -0.14 0.00 -0.00 0.00 0.00 35.03 33.92 1bsh n LYS 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bsh h ARG 99 N 1.54 0.26 0.00 -1.58 -0.00 -1.66 -3.22 114.38 109.72 1bsh h ARG 99 Ca 0.00 -0.44 -0.00 0.00 -0.50 0.00 0.00 59.98 59.03 1bsh h ARG 99 Cb 0.41 0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.54 1bsh h ARG 99 CO 0.00 1.12 -0.00 1.57 0.00 0.00 0.00 179.97 182.65 1bsh h LYS 100 N 0.07 0.00 0.00 0.04 2.10 -1.70 0.18 116.57 117.27 1bsh h LYS 100 Ca -0.30 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.31 1bsh h LYS 100 Cb 2.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.36 1bsh h LYS 100 CO 0.15 0.00 -1.12 0.00 -2.00 0.00 0.00 179.45 176.48 1bsh n ALA 101 N -2.11 2.36 -0.15 0.07 0.00 -1.24 -3.96 120.51 115.49 1bsh n ALA 101 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1bsh n ALA 101 Cb 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.00 0.63 0.00 0.00 4.81 -0.96 -0.78 114.58 118.28 1bsh h GLU 102 Ca -0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1bsh h GLU 102 Cb 1.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1bsh h GLU 102 CO 0.01 0.56 0.00 0.39 -0.73 0.00 0.00 179.01 179.24 1bsh n GLU 103 N -4.65 0.25 -0.01 1.92 1.02 -1.20 -3.04 120.64 114.93 1bsh n GLU 103 Ca 0.01 0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 57.04 1bsh n GLU 103 Cb 0.12 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 1bsh n GLU 103 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1bsh n HIS 104 N -1.31 1.24 0.85 -0.32 -0.00 -0.36 -3.98 115.22 111.35 1bsh n HIS 104 Ca 0.09 0.30 0.04 0.00 0.46 0.00 0.00 57.72 58.60 1bsh n HIS 104 Cb 0.16 -1.16 0.13 0.00 -0.12 0.00 0.00 29.99 29.00 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 -3.64 0.59 -3.26 3.57 5.41 -0.81 -4.49 119.36 116.72 1bsh n ILE 105 Ca -0.32 -0.40 -0.41 0.00 1.00 0.00 0.00 62.75 62.62 1bsh n ILE 105 Cb 0.99 -0.05 -0.02 0.00 -0.71 0.00 0.00 39.64 39.85 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bsh n SER 106 N 0.25 5.51 0.00 4.38 7.64 -1.17 -4.95 113.62 125.27 1bsh n SER 106 Ca 0.09 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1bsh n SER 106 Cb 0.36 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1bsh n SER 106 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bsh n SER 107 N 1.84 0.00 0.00 6.43 3.41 -1.26 -5.02 113.62 119.02 1bsh n SER 107 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1bsh n SER 107 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1bsh n SER 107 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bsh n SER 108 N 0.00 0.00 0.08 4.04 2.88 -1.26 -4.99 113.62 114.37 1bsh n SER 108 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bsh n SER 108 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bsh n SER 108 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1bsh n HIS 109 N 0.00 -2.89 -4.27 0.66 -0.00 -1.26 -5.12 115.22 102.34 1bsh n HIS 109 Ca 0.00 0.56 -0.33 0.00 -0.00 0.00 0.00 57.72 57.95 1bsh n HIS 109 Cb 0.00 1.64 -0.09 0.00 -0.00 0.00 0.00 29.99 31.54 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1bsh s GLY 110 N -2.00 1.90 0.53 1.57 0.00 -1.26 -4.99 107.32 103.07 1bsh s GLY 110 Ca 0.00 -0.91 0.28 0.00 0.00 0.00 0.00 44.72 44.09 1bsh s GLY 110 CO 0.00 -0.75 2.09 -1.80 0.00 0.00 0.00 173.10 172.64 1bsh h ASP 111 N 4.47 0.00 -0.21 1.64 3.58 -2.03 -1.90 116.42 121.97 1bsh h ASP 111 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1bsh h ASP 111 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1bsh h ASP 111 CO 0.58 0.10 0.00 1.33 -2.88 0.00 0.00 179.24 178.37 1bsh n VAL 112 N -3.64 2.08 0.00 2.25 0.24 -1.26 -4.33 118.33 113.66 1bsh n VAL 112 Ca -0.02 -1.86 0.00 0.00 -2.04 0.00 0.00 64.34 60.42 1bsh n VAL 112 Cb 0.22 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 -0.60 0.00 0.21 -1.34 9.92 -0.71 -3.81 116.55 120.22 1bsh n ASP 113 Ca 0.19 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.54 1bsh n ASP 113 Cb 0.79 0.00 0.37 0.00 -0.64 0.00 0.00 41.12 41.65 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1bsh h TYR 114 N 0.00 0.00 -0.80 1.24 -0.00 -1.88 -2.81 116.97 112.72 1bsh h TYR 114 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.73 58.81 1bsh h TYR 114 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 36.68 1bsh h TYR 114 CO 0.00 0.24 0.52 0.00 -0.00 0.00 0.00 178.16 178.93 1bsh h ALA 115 N 1.76 1.69 0.00 0.10 0.00 -1.80 0.95 119.26 121.96 1bsh h ALA 115 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bsh h ALA 115 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1bsh h ALA 115 CO 0.03 0.16 -0.59 1.96 0.00 0.00 0.00 179.25 180.82 1bsh h GLN 116 N 0.80 0.00 -0.06 0.00 1.08 -1.60 -3.30 115.11 112.02 1bsh h GLN 116 Ca 0.36 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.44 1bsh h GLN 116 Cb 0.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1bsh h GLN 116 CO -0.13 0.00 -0.48 0.00 -0.95 0.00 0.00 178.83 177.26 1bsh h ALA 117 N 2.45 1.07 -0.48 3.87 0.00 -0.65 -2.76 119.26 122.75 1bsh h ALA 117 Ca 0.00 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.59 1bsh h ALA 117 Cb 0.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1bsh h ALA 117 CO 0.00 0.63 0.51 1.03 0.00 0.00 0.00 179.25 181.42 1bsh h SER 118 N 0.13 0.00 0.53 0.00 0.87 -1.55 0.23 113.55 113.77 1bsh h SER 118 Ca 0.01 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 1bsh h SER 118 Cb 0.90 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1bsh h SER 118 CO 0.07 0.00 -1.34 0.00 -0.53 0.00 0.00 176.83 175.03 1bsh h ALA 119 N 1.44 0.09 0.04 6.23 0.00 -1.73 -3.11 119.26 122.21 1bsh h ALA 119 Ca 0.23 -0.93 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1bsh h ALA 119 Cb 1.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1bsh h ALA 119 CO -0.00 0.96 -0.02 0.93 0.00 0.00 0.00 179.25 181.12 1bsh h GLU 120 N 0.09 -0.05 0.04 0.00 4.39 -0.65 -3.02 114.58 115.38 1bsh h GLU 120 Ca -0.18 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1bsh h GLU 120 Cb 2.02 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 30.64 1bsh h GLU 120 CO 0.21 0.21 -0.22 1.25 -1.16 0.00 0.00 179.01 179.30 1bsh h LEU 121 N -0.31 -0.64 -1.41 1.33 5.85 -1.52 -0.58 115.31 118.04 1bsh h LEU 121 Ca -0.01 0.08 0.40 0.00 0.84 0.00 0.00 57.88 59.20 1bsh h LEU 121 Cb 0.28 0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.45 1bsh h LEU 121 CO 0.01 -0.30 0.81 0.00 -0.34 0.00 0.00 178.44 178.63 1bsh h ALA 122 N 0.46 2.64 -0.10 1.25 0.00 -1.51 0.46 119.26 122.46 1bsh h ALA 122 Ca 0.05 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1bsh h ALA 122 Cb 0.43 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1bsh h ALA 122 CO -0.17 -1.22 -0.02 -0.22 0.00 0.00 0.00 179.25 177.62 1bsh h LYS 123 N 0.15 0.00 0.00 0.00 3.11 -0.96 -0.68 116.57 118.18 1bsh h LYS 123 Ca 0.77 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.61 1bsh h LYS 123 Cb 2.34 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.57 1bsh h LYS 123 CO -0.38 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.26 1bsh n ALA 124 N -2.24 2.17 0.85 5.00 0.00 0.14 -2.71 120.51 123.71 1bsh n ALA 124 Ca -0.05 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 124 Cb 0.08 -1.42 0.24 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.62 0.12 0.04 0.00 2.08 -0.10 -3.83 119.36 116.05 1bsh n ILE 125 Ca 0.06 -0.10 -0.09 0.00 0.56 0.00 0.00 62.75 63.18 1bsh n ILE 125 Cb 0.31 0.08 0.05 0.00 -0.75 0.00 0.00 39.64 39.34 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 2.83 0.68 0.00 -1.39 0.00 -1.00 -2.75 119.26 117.63 1bsh h ALA 126 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1bsh h ALA 126 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bsh h ALA 126 CO 0.00 0.73 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 1bsh n GLN 127 N -3.89 0.01 0.05 0.00 10.64 -1.25 -3.27 117.38 119.67 1bsh n GLN 127 Ca -0.04 0.01 -0.06 0.00 -1.83 0.00 0.00 57.00 55.08 1bsh n GLN 127 Cb 0.65 -1.51 -0.11 0.00 -0.86 0.00 0.00 30.24 28.41 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1bsh h LEU 128 N 0.00 0.00 0.06 2.61 5.85 -1.61 -2.56 115.31 119.67 1bsh h LEU 128 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1bsh h LEU 128 Cb 0.51 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.57 1bsh h LEU 128 CO 0.00 0.92 -1.16 -0.09 -0.34 0.00 0.00 178.44 177.77 1bsh h ARG 129 N 0.00 0.65 -0.07 1.25 9.65 -1.52 -2.97 114.38 121.38 1bsh h ARG 129 Ca -0.09 -0.79 -0.21 0.00 -1.10 0.00 0.00 59.98 57.79 1bsh h ARG 129 Cb 1.78 0.25 0.00 0.00 -1.39 0.00 0.00 29.97 30.61 1bsh h ARG 129 CO 0.11 1.35 -0.81 -0.39 2.80 0.00 0.00 179.97 183.03 1bsh h VAL 130 N 0.32 1.36 0.00 0.20 -1.51 -1.66 -2.93 116.25 112.03 1bsh h VAL 130 Ca -0.16 -2.19 0.00 0.00 -1.23 0.00 0.00 66.70 63.12 1bsh h VAL 130 Cb 1.83 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 33.16 1bsh h VAL 130 CO 0.22 0.66 0.00 -0.29 -1.23 0.00 0.00 177.57 176.94 1bsh h ILE 131 N 0.32 0.00 0.00 7.19 -0.00 -1.52 -1.65 117.51 121.85 1bsh h ILE 131 Ca -0.05 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.47 1bsh h ILE 131 Cb 1.41 1.31 0.00 0.00 -0.00 0.00 0.00 36.82 39.54 1bsh h ILE 131 CO 0.15 0.00 0.00 -0.08 -0.00 0.00 0.00 178.15 178.22 1bsh h GLU 132 N 0.00 0.00 0.03 2.19 4.22 -1.34 -2.56 114.58 117.12 1bsh h GLU 132 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 59.36 59.18 1bsh h GLU 132 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1bsh h GLU 132 CO 0.00 0.00 -1.43 1.28 -2.18 0.00 0.00 179.01 176.68 1bsh n LEU 133 N -2.46 2.02 0.19 1.64 4.32 -0.63 -4.00 117.00 118.07 1bsh n LEU 133 Ca 0.02 0.38 0.06 0.00 -0.02 0.00 0.00 56.01 56.46 1bsh n LEU 133 Cb 0.29 -1.00 0.56 0.00 -1.62 0.00 0.00 43.42 41.65 1bsh n LEU 133 CO 0.24 0.40 1.06 0.71 -1.22 0.00 0.00 177.39 178.58 1bsh h THR 134 N -0.78 1.05 0.00 -5.08 1.35 -1.54 0.20 112.91 108.11 1bsh h THR 134 Ca -0.37 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1bsh h THR 134 Cb 1.46 0.93 -0.00 0.00 -1.73 0.00 0.00 68.15 68.81 1bsh h THR 134 CO -0.15 0.06 -0.15 0.07 -0.25 0.00 0.00 175.52 175.09 1bsh h LYS 135 N 0.15 0.00 -0.04 4.72 2.10 -1.60 -2.38 116.57 119.52 1bsh h LYS 135 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1bsh h LYS 135 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1bsh h LYS 135 CO -0.00 0.15 0.00 1.17 -2.00 0.00 0.00 179.45 178.77 1bsh n LYS 136 N -4.20 0.90 0.27 0.07 4.81 -0.38 -4.48 118.16 115.17 1bsh n LYS 136 Ca -0.02 -1.32 0.15 0.00 -0.87 0.00 0.00 58.31 56.25 1bsh n LYS 136 Cb 0.23 -1.25 0.79 0.00 0.02 0.00 0.00 35.03 34.82 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh h ALA 137 N 2.51 1.17 0.00 3.14 0.00 -0.12 -3.51 119.26 122.44 1bsh h ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 137 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bsh h ALA 137 CO 0.00 -0.17 0.00 -0.12 0.00 0.00 0.00 179.25 178.96