#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 3.42 -0.29 0.00 1.00 -1.26 -4.91 119.30 117.27 1bsh s MET 2 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 55.69 54.29 1bsh s MET 2 Cb 0.00 -4.78 0.19 0.00 0.00 0.00 0.00 34.83 30.23 1bsh s MET 2 CO 0.00 -1.97 1.38 0.95 0.00 0.00 0.00 175.02 175.38 1bsh s THR 3 N 4.14 0.00 0.00 2.05 -4.23 -1.26 -4.78 115.64 111.55 1bsh s THR 3 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1bsh s THR 3 Cb -0.07 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1bsh s THR 3 CO -0.02 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.06 1bsh n TYR 4 N 1.27 0.00 -4.48 3.99 4.11 -0.15 -4.76 117.16 117.15 1bsh n TYR 4 Ca -0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.63 1bsh n TYR 4 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.77 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 1.62 1.01 -0.17 -3.48 2.46 -1.26 -0.99 115.29 114.49 1bsh s HIS 5 Ca 0.00 -0.20 -0.03 0.00 0.47 0.00 0.00 55.06 55.29 1bsh s HIS 5 Cb 0.00 -0.65 -0.02 0.00 -0.13 0.00 0.00 32.58 31.78 1bsh s HIS 5 CO 0.00 -0.01 -0.04 -1.17 -2.47 0.00 0.00 174.74 171.04 1bsh s LEU 6 N -0.33 3.14 -0.43 8.88 1.98 -0.86 -0.31 118.68 130.75 1bsh s LEU 6 Ca 0.04 -0.20 0.09 0.00 -2.89 0.00 0.00 54.13 51.17 1bsh s LEU 6 Cb -0.05 -1.76 0.31 0.00 0.66 0.00 0.00 46.19 45.35 1bsh s LEU 6 CO -0.00 0.12 0.70 -0.67 -1.89 0.00 0.00 176.35 174.61 1bsh n ASP 7 N 3.83 1.37 -4.75 3.68 -0.08 -0.19 -1.88 116.55 118.54 1bsh n ASP 7 Ca -0.17 -3.04 -0.35 0.00 -1.51 0.00 0.00 54.79 49.71 1bsh n ASP 7 Cb 0.52 -0.62 -0.08 0.00 2.34 0.00 0.00 41.12 43.28 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1bsh s VAL 8 N -2.36 5.41 0.03 5.18 0.11 -0.05 -2.39 120.40 126.33 1bsh s VAL 8 Ca 0.40 0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 1bsh s VAL 8 Cb 0.27 -3.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.63 1bsh s VAL 8 CO -0.09 0.45 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.31 1bsh s VAL 9 N 0.23 1.03 0.00 2.04 1.01 -1.14 -2.01 120.40 121.56 1bsh s VAL 9 Ca 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1bsh s VAL 9 Cb -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1bsh s VAL 9 CO -0.01 0.04 0.00 -1.20 0.00 0.00 0.00 175.10 173.93 1bsh n SER 10 N 2.08 0.00 -4.68 3.32 7.64 -1.26 -1.13 113.62 119.59 1bsh n SER 10 Ca -0.17 0.00 -0.61 0.00 1.01 0.00 0.00 58.87 59.09 1bsh n SER 10 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.32 -1.75 -0.43 0.00 -0.86 -3.08 120.51 110.08 1bsh n ALA 11 Ca 0.00 0.48 -0.01 0.00 0.00 0.00 0.00 53.44 53.91 1bsh n ALA 11 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.44 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 3.86 -0.42 -1.50 0.00 1.02 -1.26 -4.46 120.64 117.88 1bsh n GLU 12 Ca 0.26 0.79 -0.36 0.00 -0.02 0.00 0.00 57.16 57.83 1bsh n GLU 12 Cb 0.05 -2.27 -0.16 0.00 -0.02 0.00 0.00 31.44 29.05 1bsh n GLU 12 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1bsh n GLN 13 N -0.53 0.07 0.00 3.49 0.00 -1.18 -4.33 117.38 114.90 1bsh n GLN 13 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1bsh n GLN 13 Cb 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.83 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1bsh n GLN 14 N 7.84 0.00 0.00 3.69 0.00 -1.26 -5.04 117.38 122.62 1bsh n GLN 14 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.65 1bsh n GLN 14 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.33 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1bsh n MET 15 N 0.00 0.00 -3.76 3.69 2.81 -1.26 -5.01 117.12 113.60 1bsh n MET 15 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.62 1bsh n MET 15 Cb 0.00 0.00 -0.17 0.00 -0.71 0.00 0.00 33.22 32.34 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 0.24 1.07 -0.44 2.03 5.36 -0.85 -5.00 117.98 120.39 1bsh s PHE 16 Ca 0.00 -0.83 0.07 0.00 -0.96 0.00 0.00 56.93 55.21 1bsh s PHE 16 Cb 0.00 -1.04 0.24 0.00 -0.34 0.00 0.00 43.02 41.88 1bsh s PHE 16 CO 0.00 -0.58 0.53 -1.13 -1.46 0.00 0.00 175.22 172.57 1bsh n SER 17 N 5.04 0.71 -3.68 6.13 3.41 -1.19 -0.87 113.62 123.16 1bsh n SER 17 Ca -0.09 -2.77 -0.03 0.00 -0.26 0.00 0.00 58.87 55.72 1bsh n SER 17 Cb 0.47 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1bsh n SER 17 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bsh s GLY 18 N -1.20 -0.31 1.04 5.00 0.00 -0.79 -4.99 107.32 106.08 1bsh s GLY 18 Ca 0.35 0.47 -0.21 0.00 0.00 0.00 0.00 44.72 45.33 1bsh s GLY 18 CO -0.11 0.11 -0.65 1.04 0.00 0.00 0.00 173.10 173.49 1bsh n LEU 19 N -0.42 -2.78 -3.70 0.66 4.77 -1.26 -2.03 117.00 112.23 1bsh n LEU 19 Ca -0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1bsh n LEU 19 Cb 0.61 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1bsh n LEU 19 CO 0.13 -3.24 0.75 0.54 -1.33 0.00 0.00 177.39 174.23 1bsh s VAL 20 N -2.14 0.00 0.00 4.08 0.11 -0.16 -4.53 120.40 117.76 1bsh s VAL 20 Ca 0.47 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 1bsh s VAL 20 Cb -0.05 -1.82 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1bsh s VAL 20 CO 0.68 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.66 1bsh n GLU 21 N -0.43 1.05 -3.54 1.54 2.13 -0.26 -0.97 120.64 120.15 1bsh n GLU 21 Ca -0.07 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.74 1bsh n GLU 21 Cb 0.61 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.27 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 -1.99 0.39 0.00 5.31 2.20 -1.16 -4.51 119.74 119.97 1bsh s LYS 22 Ca 0.00 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.42 1bsh s LYS 22 Cb 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 1bsh s LYS 22 CO 0.00 -0.11 0.00 0.44 -0.36 0.00 0.00 175.35 175.32 1bsh n ILE 23 N 4.46 0.00 -2.70 5.43 -5.35 -1.12 -0.62 119.36 119.46 1bsh n ILE 23 Ca -0.14 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.33 1bsh n ILE 23 Cb 0.55 -0.94 0.02 0.00 -1.74 0.00 0.00 39.64 37.53 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1bsh s GLN 24 N 2.96 0.14 -0.55 6.28 0.74 0.37 -4.21 119.66 125.38 1bsh s GLN 24 Ca 0.00 -0.10 -0.16 0.00 0.05 0.00 0.00 55.36 55.15 1bsh s GLN 24 Cb 0.00 0.00 0.13 0.00 1.10 0.00 0.00 33.01 34.24 1bsh s GLN 24 CO 0.00 -0.19 0.53 0.14 -0.55 0.00 0.00 175.29 175.23 1bsh s VAL 25 N 1.47 5.17 -0.20 1.34 -7.23 -1.25 -1.25 120.40 118.45 1bsh s VAL 25 Ca 0.19 -1.46 -0.10 0.00 -1.81 0.00 0.00 61.98 58.80 1bsh s VAL 25 Cb 0.09 -4.36 -0.05 0.00 0.56 0.00 0.00 36.38 32.62 1bsh s VAL 25 CO -0.13 -0.91 0.13 0.28 -0.31 0.00 0.00 175.10 174.16 1bsh s THR 26 N 1.71 5.38 0.00 5.32 -1.32 -0.99 -4.28 115.64 121.46 1bsh s THR 26 Ca 0.04 0.18 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1bsh s THR 26 Cb -0.29 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 1bsh s THR 26 CO 0.03 0.43 0.00 0.61 -2.21 0.00 0.00 174.62 173.48 1bsh n GLY 27 N 3.60 0.54 0.60 6.08 0.00 -1.24 -2.47 105.19 112.29 1bsh n GLY 27 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bsh n SER 28 N 0.00 0.72 0.00 1.61 3.41 -1.26 -4.91 113.62 113.19 1bsh n SER 28 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bsh n SER 28 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1bsh n GLU 29 N -2.08 0.00 -1.63 4.33 1.02 -1.26 -4.89 120.64 116.13 1bsh n GLU 29 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1bsh n GLU 29 Cb 0.14 -0.09 -0.03 0.00 -0.02 0.00 0.00 31.44 31.44 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsh n GLY 30 N 2.44 1.39 1.50 0.62 0.00 -1.26 -4.82 105.19 105.06 1bsh n GLY 30 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 46.02 46.78 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 8.22 2.84 -4.41 1.61 0.00 -1.26 -3.66 120.64 123.98 1bsh n GLU 31 Ca 0.26 -3.05 -0.23 0.00 0.00 0.00 0.00 57.16 54.14 1bsh n GLU 31 Cb 0.43 -2.01 -0.11 0.00 0.00 0.00 0.00 31.44 29.75 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1bsh s LEU 32 N -3.06 2.52 0.00 -1.84 1.43 -1.26 -4.86 118.68 111.61 1bsh s LEU 32 Ca 0.49 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1bsh s LEU 32 Cb 0.41 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1bsh s LEU 32 CO 0.08 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1bsh n GLY 33 N -0.18 0.17 3.33 -3.19 0.00 -1.26 -3.89 105.19 100.17 1bsh n GLY 33 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 1.93 0.05 0.31 -0.61 -1.09 -1.26 -4.80 121.20 115.74 1bsh s ILE 34 Ca 0.00 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 57.91 1bsh s ILE 34 Cb 0.00 -0.98 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 1bsh s ILE 34 CO 0.00 -0.24 0.51 -0.72 -1.23 0.00 0.00 174.94 173.26 1bsh s TYR 35 N -2.63 0.70 -1.17 3.97 1.13 -1.26 -2.79 117.35 115.28 1bsh s TYR 35 Ca -0.04 -1.03 -0.21 0.00 -1.41 0.00 0.00 57.07 54.37 1bsh s TYR 35 Cb -0.00 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 1bsh s TYR 35 CO -0.03 -1.13 1.83 -1.25 -2.51 0.00 0.00 175.55 172.46 1bsh s PRO 36 N -3.34 3.09 0.00 -3.49 0.04 -1.26 -2.55 135.00 127.49 1bsh s PRO 36 Ca 0.26 -1.33 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1bsh s PRO 36 Cb -0.01 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1bsh s PRO 36 CO 0.15 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.41 1bsh n GLY 37 N 5.90 1.97 0.00 0.56 0.00 -1.26 -4.86 105.19 107.51 1bsh n GLY 37 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.11 0.00 -3.66 1.61 -0.00 -1.06 -5.01 115.22 107.00 1bsh n HIS 38 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 1bsh n HIS 38 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh s ALA 39 N -2.24 -2.03 -1.35 1.57 0.00 -1.26 -5.05 121.76 111.40 1bsh s ALA 39 Ca 0.00 0.59 -0.15 0.00 0.00 0.00 0.00 51.96 52.40 1bsh s ALA 39 Cb 0.00 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.54 1bsh s ALA 39 CO 0.00 -1.01 2.18 -0.35 0.00 0.00 0.00 175.76 176.58 1bsh n PRO 40 N -0.45 2.63 -3.02 0.00 -0.04 -1.26 -4.76 135.00 128.10 1bsh n PRO 40 Ca -0.07 -2.48 -0.38 0.00 -0.04 0.00 0.00 63.50 60.53 1bsh n PRO 40 Cb 0.62 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.03 4.48 -0.36 1.53 2.01 -1.26 -4.97 118.68 122.14 1bsh s LEU 41 Ca 0.49 1.56 0.13 0.00 0.01 0.00 0.00 54.13 56.32 1bsh s LEU 41 Cb 0.14 -3.45 0.42 0.00 0.01 0.00 0.00 46.19 43.31 1bsh s LEU 41 CO -0.06 0.12 1.20 0.18 1.01 0.00 0.00 176.35 178.81 1bsh n LEU 42 N 1.18 -0.53 0.00 1.79 4.77 -1.25 -2.69 117.00 120.27 1bsh n LEU 42 Ca -0.04 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.40 1bsh n LEU 42 Cb 0.50 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1bsh n LEU 42 CO 0.45 1.74 0.00 0.35 -1.33 0.00 0.00 177.39 178.60 1bsh n THR 43 N -0.43 0.00 -3.17 -5.08 -2.24 -1.22 -4.99 114.28 97.16 1bsh n THR 43 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.58 1bsh n THR 43 Cb 0.84 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.00 4.71 0.30 6.98 0.00 -1.26 -1.79 121.76 128.70 1bsh s ALA 44 Ca 0.00 -2.06 0.04 0.00 0.00 0.00 0.00 51.96 49.94 1bsh s ALA 44 Cb 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 23.12 21.73 1bsh s ALA 44 CO 0.00 -0.87 0.04 0.42 0.00 0.00 0.00 175.76 175.34 1bsh s ILE 45 N -2.72 1.19 0.38 0.00 1.01 -0.42 -4.56 121.20 116.07 1bsh s ILE 45 Ca 0.58 -2.02 0.08 0.00 0.00 0.00 0.00 60.65 59.29 1bsh s ILE 45 Cb -0.05 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1bsh s ILE 45 CO 0.37 -0.09 0.29 -0.54 0.00 0.00 0.00 174.94 174.97 1bsh s LYS 46 N -3.87 2.52 0.15 2.79 3.01 -1.26 -4.33 119.74 118.75 1bsh s LYS 46 Ca 0.35 -1.50 -0.30 0.00 -1.01 0.00 0.00 55.97 53.50 1bsh s LYS 46 Cb 0.08 -2.32 -0.07 0.00 -1.01 0.00 0.00 37.83 34.50 1bsh s LYS 46 CO 0.14 -0.05 1.02 -1.25 0.51 0.00 0.00 175.35 175.73 1bsh s PRO 47 N -4.01 4.66 0.00 -1.68 0.04 0.35 -4.45 135.00 129.91 1bsh s PRO 47 Ca 0.43 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1bsh s PRO 47 Cb -0.03 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1bsh s PRO 47 CO 0.26 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1bsh n GLY 48 N 2.11 -0.59 4.01 0.56 0.00 -1.07 -4.38 105.19 105.84 1bsh n GLY 48 Ca 0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.27 2.58 -0.27 1.61 0.23 -1.03 -2.89 119.30 119.26 1bsh s MET 49 Ca 0.00 -1.44 -0.01 0.00 -1.03 0.00 0.00 55.69 53.21 1bsh s MET 49 Cb 0.00 -2.68 0.13 0.00 -1.53 0.00 0.00 34.83 30.75 1bsh s MET 49 CO 0.00 -0.54 0.32 -1.50 -2.03 0.00 0.00 175.02 171.27 1bsh s ILE 50 N -2.50 -0.46 0.02 3.16 2.07 -1.08 -2.35 121.20 120.06 1bsh s ILE 50 Ca 0.57 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 59.46 1bsh s ILE 50 Cb -0.08 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.56 1bsh s ILE 50 CO 0.35 -0.34 0.22 -0.60 -1.91 0.00 0.00 174.94 172.66 1bsh s ARG 51 N 2.42 3.47 0.21 3.50 3.52 -0.38 -0.73 118.95 130.97 1bsh s ARG 51 Ca 0.10 -0.30 -0.11 0.00 -0.13 0.00 0.00 55.73 55.29 1bsh s ARG 51 Cb -0.14 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 1bsh s ARG 51 CO -0.26 0.64 0.38 0.42 -0.81 0.00 0.00 175.30 175.67 1bsh s ILE 52 N -1.40 0.02 -0.22 4.11 1.01 -0.78 0.14 121.20 124.08 1bsh s ILE 52 Ca 0.30 -1.41 -0.04 0.00 0.00 0.00 0.00 60.65 59.51 1bsh s ILE 52 Cb -0.13 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.36 1bsh s ILE 52 CO 0.21 -0.11 0.09 -0.69 0.00 0.00 0.00 174.94 174.44 1bsh s VAL 53 N -4.00 0.16 0.05 2.92 1.01 0.21 -2.10 120.40 118.65 1bsh s VAL 53 Ca 0.21 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 1bsh s VAL 53 Cb 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 1bsh s VAL 53 CO 0.05 -0.42 1.38 -1.59 0.00 0.00 0.00 175.10 174.53 1bsh s LYS 54 N 2.01 4.31 0.87 2.72 0.00 -1.24 -1.10 119.74 127.31 1bsh s LYS 54 Ca 0.04 2.00 0.00 0.00 0.00 0.00 0.00 55.97 58.01 1bsh s LYS 54 Cb -0.16 -3.43 0.00 0.00 0.00 0.00 0.00 37.83 34.24 1bsh s LYS 54 CO -0.18 -0.49 0.00 0.94 0.00 0.00 0.00 175.35 175.62 1bsh n GLN 55 N 4.68 0.00 -3.06 1.78 7.27 -1.26 -3.34 117.38 123.45 1bsh n GLN 55 Ca 0.12 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.75 1bsh n GLN 55 Cb 0.43 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.08 1bsh n GLN 55 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1bsh s HIS 56 N 0.00 3.62 0.00 3.69 3.76 -1.26 -4.42 115.29 120.67 1bsh s HIS 56 Ca 0.00 -2.11 0.00 0.00 -0.15 0.00 0.00 55.06 52.80 1bsh s HIS 56 Cb 0.00 -4.17 0.00 0.00 1.11 0.00 0.00 32.58 29.52 1bsh s HIS 56 CO 0.00 -1.29 0.00 0.41 -0.85 0.00 0.00 174.74 173.01 1bsh n GLY 57 N 4.05 4.68 0.36 -2.22 0.00 -1.21 -5.16 105.19 105.68 1bsh n GLY 57 Ca 0.30 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.86 -0.95 -3.64 1.61 -0.00 -1.26 -4.12 115.22 104.98 1bsh n HIS 58 Ca 0.00 0.52 -0.03 0.00 -0.00 0.00 0.00 57.72 58.21 1bsh n HIS 58 Cb 0.00 -0.87 -0.07 0.00 -0.00 0.00 0.00 29.99 29.06 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 -3.12 0.36 -0.02 1.57 -1.05 -1.26 -3.63 118.70 111.55 1bsh s GLU 59 Ca 0.00 0.57 0.04 0.00 -0.15 0.00 0.00 54.97 55.43 1bsh s GLU 59 Cb 0.00 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.78 1bsh s GLU 59 CO 0.00 -0.07 -0.14 -1.21 0.95 0.00 0.00 175.26 174.80 1bsh s GLU 60 N 1.05 1.23 -0.09 -4.83 0.41 -0.89 -4.93 118.70 110.64 1bsh s GLU 60 Ca -0.06 -0.48 0.03 0.00 -0.41 0.00 0.00 54.97 54.05 1bsh s GLU 60 Cb -0.04 -1.15 0.01 0.00 -1.78 0.00 0.00 34.13 31.17 1bsh s GLU 60 CO -0.13 0.25 -0.19 -0.59 -0.49 0.00 0.00 175.26 174.11 1bsh s PHE 61 N -0.14 2.17 0.00 1.61 -0.12 -1.26 -1.87 117.98 118.37 1bsh s PHE 61 Ca 0.02 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.99 1bsh s PHE 61 Cb -0.07 -1.49 0.00 0.00 -0.63 0.00 0.00 43.02 40.82 1bsh s PHE 61 CO 0.00 -0.40 0.00 -0.89 -0.05 0.00 0.00 175.22 173.88 1bsh n ILE 62 N 3.73 0.00 -3.63 -4.49 2.08 0.10 -3.79 119.36 113.35 1bsh n ILE 62 Ca -0.20 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.02 1bsh n ILE 62 Cb 0.52 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.35 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 3.03 -0.38 0.21 1.39 6.14 -1.26 -2.62 117.35 123.86 1bsh s TYR 63 Ca 0.00 0.89 0.03 0.00 0.64 0.00 0.00 57.07 58.63 1bsh s TYR 63 Cb 0.00 0.40 -0.01 0.00 0.42 0.00 0.00 41.96 42.77 1bsh s TYR 63 CO 0.00 -0.21 0.21 1.47 0.64 0.00 0.00 175.55 177.66 1bsh n LEU 64 N 1.82 0.00 -0.02 6.97 -0.00 -1.14 -2.72 117.00 121.91 1bsh n LEU 64 Ca -0.11 -1.90 -0.03 0.00 -0.00 0.00 0.00 56.01 53.96 1bsh n LEU 64 Cb 0.56 1.18 -0.01 0.00 -0.00 0.00 0.00 43.42 45.15 1bsh n LEU 64 CO 0.05 -0.35 -0.62 -0.24 -0.00 0.00 0.00 177.39 176.23 1bsh n SER 65 N -2.09 1.46 0.00 1.45 2.88 -1.26 -2.58 113.62 113.49 1bsh n SER 65 Ca 0.04 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1bsh n SER 65 Cb 0.37 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bsh n GLY 66 N 2.96 4.16 0.00 0.46 0.00 -1.26 0.13 105.19 111.65 1bsh n GLY 66 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.00 1.66 3.59 -0.02 0.00 -1.25 -4.60 105.19 104.57 1bsh n GLY 67 Ca 0.00 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 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 -1.55 4.56 -0.30 -0.61 1.01 -0.35 -1.30 121.20 122.66 1bsh s ILE 68 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 1bsh s ILE 68 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1bsh s ILE 68 CO 0.00 0.46 0.20 -0.22 0.00 0.00 0.00 174.94 175.38 1bsh s LEU 69 N 0.44 4.16 0.00 2.97 1.98 -0.74 -1.69 118.68 125.80 1bsh s LEU 69 Ca 0.02 -0.18 0.07 0.00 -2.89 0.00 0.00 54.13 51.14 1bsh s LEU 69 Cb -0.13 -2.11 -0.02 0.00 0.66 0.00 0.00 46.19 44.59 1bsh s LEU 69 CO 0.01 -0.12 -0.22 -0.70 -1.89 0.00 0.00 176.35 173.43 1bsh s GLU 70 N 1.73 1.72 0.08 1.98 2.12 -1.09 -3.37 118.70 121.86 1bsh s GLU 70 Ca 0.07 -0.86 0.01 0.00 0.36 0.00 0.00 54.97 54.55 1bsh s GLU 70 Cb -0.16 -1.72 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 1bsh s GLU 70 CO 0.10 0.46 0.18 0.54 -0.54 0.00 0.00 175.26 176.01 1bsh s VAL 71 N -0.61 5.14 0.28 3.70 0.11 -1.10 -2.83 120.40 125.10 1bsh s VAL 71 Ca 0.09 -0.54 0.03 0.00 -2.93 0.00 0.00 61.98 58.63 1bsh s VAL 71 Cb -0.09 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1bsh s VAL 71 CO 0.00 0.10 0.17 -1.10 -3.33 0.00 0.00 175.10 170.94 1bsh s GLN 72 N -2.58 1.52 -0.46 1.54 -0.21 -0.54 -4.91 119.66 114.02 1bsh s GLN 72 Ca 0.33 -1.85 -0.29 0.00 0.02 0.00 0.00 55.36 53.57 1bsh s GLN 72 Cb -0.12 0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.94 1bsh s GLN 72 CO 0.26 -0.45 1.22 -1.25 -2.12 0.00 0.00 175.29 172.95 1bsh s PRO 73 N -3.85 3.68 -0.79 2.91 0.04 -1.26 -3.51 135.00 132.22 1bsh s PRO 73 Ca 0.37 0.67 -0.04 0.00 0.04 0.00 0.00 61.00 62.05 1bsh s PRO 73 Cb 0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1bsh s PRO 73 CO 0.17 -1.43 0.50 0.41 0.04 0.00 0.00 177.00 176.69 1bsh n GLY 74 N 4.91 0.09 0.00 0.56 0.00 -1.26 -4.96 105.19 104.52 1bsh n GLY 74 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.78 0.00 -4.06 1.61 0.23 -1.23 -4.00 115.26 107.04 1bsh n ASN 75 Ca -0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.93 1bsh n ASN 75 Cb 0.55 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.16 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 -2.00 0.13 -0.28 3.53 -7.23 0.58 -1.47 120.40 113.66 1bsh s VAL 76 Ca 0.00 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.29 1bsh s VAL 76 Cb 0.00 -1.78 0.08 0.00 0.56 0.00 0.00 36.38 35.23 1bsh s VAL 76 CO 0.00 -0.59 0.70 -0.89 -0.31 0.00 0.00 175.10 174.01 1bsh s THR 77 N -3.98 0.00 0.13 5.32 2.01 -1.13 -1.02 115.64 116.97 1bsh s THR 77 Ca 0.16 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.23 1bsh s THR 77 Cb 0.06 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1bsh s THR 77 CO -0.03 0.00 -0.16 0.68 -0.69 0.00 0.00 174.62 174.42 1bsh s VAL 78 N 1.28 1.52 -0.21 3.82 -7.23 -1.00 -2.69 120.40 115.89 1bsh s VAL 78 Ca -0.07 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 1bsh s VAL 78 Cb -0.05 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1bsh s VAL 78 CO -0.14 -0.32 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.52 1bsh s LEU 79 N -2.39 2.90 0.24 1.32 1.02 -0.68 -2.87 118.68 118.22 1bsh s LEU 79 Ca 0.10 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.90 1bsh s LEU 79 Cb -0.06 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.37 1bsh s LEU 79 CO 0.04 0.01 0.06 0.00 0.02 0.00 0.00 176.35 176.49 1bsh s ALA 80 N 1.30 1.70 0.00 4.21 0.00 -0.29 -1.21 121.76 127.48 1bsh s ALA 80 Ca 0.04 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.18 1bsh s ALA 80 Cb -0.14 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.84 1bsh s ALA 80 CO -0.02 -0.40 0.00 -0.25 0.00 0.00 0.00 175.76 175.09 1bsh n ASP 81 N -0.43 2.67 -4.52 0.00 9.92 -1.26 -4.05 116.55 118.87 1bsh n ASP 81 Ca -0.02 -0.08 -0.32 0.00 -0.53 0.00 0.00 54.79 53.84 1bsh n ASP 81 Cb 0.65 0.69 -0.12 0.00 -0.64 0.00 0.00 41.12 41.71 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bsh s THR 82 N -1.23 3.25 -0.15 -3.53 2.01 -1.26 -2.02 115.64 112.71 1bsh s THR 82 Ca 0.00 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 1bsh s THR 82 Cb 0.00 -2.35 0.05 0.00 0.01 0.00 0.00 72.50 70.21 1bsh s THR 82 CO 0.00 0.46 0.38 0.00 -0.69 0.00 0.00 174.62 174.77 1bsh s ALA 83 N -0.88 -0.94 -0.06 7.40 0.00 -1.26 -4.04 121.76 121.98 1bsh s ALA 83 Ca 0.14 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1bsh s ALA 83 Cb -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1bsh s ALA 83 CO 0.04 -0.23 -0.06 -0.89 0.00 0.00 0.00 175.76 174.63 1bsh n ILE 84 N 3.84 0.35 -0.96 0.00 5.41 -1.10 -4.88 119.36 122.03 1bsh n ILE 84 Ca -0.21 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1bsh n ILE 84 Cb 0.56 -0.76 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 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 -2.71 -2.71 -0.33 0.38 0.63 -1.26 -2.31 116.66 108.37 1bsh n ARG 85 Ca -0.11 1.98 0.27 0.00 -0.92 0.00 0.00 57.85 59.07 1bsh n ARG 85 Cb 0.61 -2.20 0.52 0.00 0.45 0.00 0.00 32.46 31.85 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 1.35 2.09 0.27 5.14 0.00 -1.76 -1.12 103.07 109.04 1bsh h GLY 86 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1bsh h GLY 86 CO 0.00 -0.68 -0.13 1.46 0.00 0.00 0.00 176.54 177.19 1bsh h GLN 87 N 0.10 -0.35 -0.24 4.80 4.20 -1.89 -3.36 115.11 118.37 1bsh h GLN 87 Ca 0.78 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 59.41 1bsh h GLN 87 Cb 1.95 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 29.77 1bsh h GLN 87 CO -0.73 -0.23 -0.10 -3.47 -0.67 0.00 0.00 178.83 173.63 1bsh n ASP 88 N -4.48 -5.48 -3.52 1.46 2.03 -0.43 -2.21 116.55 103.91 1bsh n ASP 88 Ca -0.05 0.13 -0.25 0.00 0.52 0.00 0.00 54.79 55.14 1bsh n ASP 88 Cb 0.14 -3.43 0.05 0.00 -0.72 0.00 0.00 41.12 37.16 1bsh n ASP 88 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1bsh n LEU 89 N -0.58 -2.89 0.00 -2.67 7.94 -1.26 -4.92 117.00 112.61 1bsh n LEU 89 Ca -0.05 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.32 1bsh n LEU 89 Cb 0.48 -2.84 0.00 0.00 0.53 0.00 0.00 43.42 41.59 1bsh n LEU 89 CO 0.08 0.48 0.00 -0.67 -1.11 0.00 0.00 177.39 176.16 1bsh n ASP 90 N -2.81 0.00 0.00 1.96 2.03 -0.94 -5.10 116.55 111.70 1bsh n ASP 90 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1bsh n ASP 90 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1bsh n ASP 90 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1bsh n GLU 91 N -0.13 0.00 0.09 -0.67 0.00 -1.26 -4.83 120.64 113.85 1bsh n GLU 91 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1bsh n GLU 91 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 31.44 31.68 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bsh h ALA 92 N 0.00 1.16 0.00 4.31 0.00 -1.99 -2.41 119.26 120.34 1bsh h ALA 92 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bsh h ALA 92 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bsh h ALA 92 CO 0.00 0.56 0.00 -0.09 0.00 0.00 0.00 179.25 179.72 1bsh h ARG 93 N 0.21 0.00 0.00 0.00 2.43 -2.00 -3.05 114.38 111.97 1bsh h ARG 93 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1bsh h ARG 93 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1bsh h ARG 93 CO 0.06 0.00 -0.63 0.00 -1.51 0.00 0.00 179.97 177.89 1bsh n ALA 94 N -1.95 3.40 0.17 2.80 0.00 -0.95 -3.77 120.51 120.21 1bsh n ALA 94 Ca 0.04 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.20 1bsh n ALA 94 Cb 0.46 -1.10 0.14 0.00 0.00 0.00 0.00 19.45 18.96 1bsh n ALA 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.34 -3.04 114.93 113.41 1bsh h MET 95 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bsh h MET 95 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1bsh h MET 95 CO 0.00 0.37 0.00 0.93 1.06 0.00 0.00 176.91 179.27 1bsh h GLU 96 N 0.00 0.00 -1.00 1.72 5.08 -1.68 -3.24 114.58 115.46 1bsh h GLU 96 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1bsh h GLU 96 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1bsh h GLU 96 CO 0.05 0.00 0.66 0.00 -1.00 0.00 0.00 179.01 178.72 1bsh h ALA 97 N 2.49 1.29 -1.06 3.43 0.00 -1.70 -1.71 119.26 122.00 1bsh h ALA 97 Ca 0.00 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.12 1bsh h ALA 97 Cb 0.73 -0.41 -0.11 0.00 0.00 0.00 0.00 17.79 18.01 1bsh h ALA 97 CO 0.00 0.66 0.67 -0.22 0.00 0.00 0.00 179.25 180.36 1bsh h LYS 98 N 1.36 0.38 0.02 0.00 3.64 -1.74 0.33 116.57 120.56 1bsh h LYS 98 Ca 0.37 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1bsh h LYS 98 Cb -0.16 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1bsh h LYS 98 CO -0.08 0.25 -0.01 -0.09 -2.27 0.00 0.00 179.45 177.25 1bsh h ARG 99 N 0.39 -0.03 0.00 1.90 9.65 -1.54 -2.57 114.38 122.17 1bsh h ARG 99 Ca 0.64 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.52 1bsh h ARG 99 Cb 1.58 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 1bsh h ARG 99 CO -0.36 0.66 0.12 0.87 2.80 0.00 0.00 179.97 184.06 1bsh h LYS 100 N -0.78 0.00 0.03 0.20 1.79 -0.95 0.03 116.57 116.89 1bsh h LYS 100 Ca -0.00 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.16 1bsh h LYS 100 Cb 0.71 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.32 1bsh h LYS 100 CO 0.01 0.00 -1.73 0.00 -1.08 0.00 0.00 179.45 176.65 1bsh h ALA 101 N 1.74 0.67 0.00 3.86 0.00 -0.92 -3.30 119.26 121.31 1bsh h ALA 101 Ca 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 54.91 53.39 1bsh h ALA 101 Cb 0.23 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1bsh h ALA 101 CO 0.00 1.50 -0.49 1.49 0.00 0.00 0.00 179.25 181.75 1bsh h GLU 102 N 0.02 0.00 -0.10 0.00 4.57 -0.59 -2.96 114.58 115.51 1bsh h GLU 102 Ca -0.30 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.71 1bsh h GLU 102 Cb 2.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.59 1bsh h GLU 102 CO 0.09 0.49 -0.68 1.49 -1.18 0.00 0.00 179.01 179.22 1bsh h GLU 103 N 0.00 0.42 -0.04 1.92 4.81 -1.51 -2.78 114.58 117.40 1bsh h GLU 103 Ca -0.00 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1bsh h GLU 103 Cb 1.08 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1bsh h GLU 103 CO 0.06 0.95 0.00 1.58 -0.73 0.00 0.00 179.01 180.87 1bsh n HIS 104 N -3.87 0.05 0.29 0.92 -0.00 -1.17 -3.60 115.22 107.85 1bsh n HIS 104 Ca -0.04 -0.03 0.17 0.00 0.46 0.00 0.00 57.72 58.29 1bsh n HIS 104 Cb 0.68 0.00 0.71 0.00 -0.12 0.00 0.00 29.99 31.26 1bsh n HIS 104 CO 0.00 0.00 0.00 0.97 0.46 0.00 0.00 176.34 177.77 1bsh h ILE 105 N 0.96 0.00 0.00 3.57 6.09 -1.33 -2.77 117.51 124.02 1bsh h ILE 105 Ca 0.00 -0.46 -0.27 0.00 -1.37 0.00 0.00 64.86 62.76 1bsh h ILE 105 Cb 0.21 1.44 -0.05 0.00 0.47 0.00 0.00 36.82 38.89 1bsh h ILE 105 CO 0.00 0.00 -1.63 0.77 -3.07 0.00 0.00 178.15 174.22 1bsh h SER 106 N 0.00 0.00 -0.63 2.19 4.64 -1.76 -3.42 113.55 114.57 1bsh h SER 106 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1bsh h SER 106 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1bsh h SER 106 CO 0.00 0.94 0.38 -0.44 -0.87 0.00 0.00 176.83 176.84 1bsh s SER 107 N -6.07 4.04 0.00 4.97 0.01 -1.05 -4.69 113.70 110.91 1bsh s SER 107 Ca -0.04 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1bsh s SER 107 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1bsh s SER 107 CO 0.82 -3.64 0.00 -1.20 0.41 0.00 0.00 173.24 169.63 1bsh n SER 108 N 17.96 0.65 0.00 2.44 7.64 -1.26 -5.04 113.62 136.01 1bsh n SER 108 Ca 0.44 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1bsh n SER 108 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.00 0.00 0.00 1.43 -0.00 -1.26 -5.06 115.22 110.33 1bsh n HIS 109 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1bsh n HIS 109 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 110 N 0.00 -1.28 3.93 1.57 0.00 -1.26 -4.42 105.19 103.73 1bsh n GLY 110 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1bsh n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsh s ASP 111 N -1.83 3.34 -0.77 1.61 1.01 -1.26 -3.87 116.67 114.91 1bsh s ASP 111 Ca 0.00 0.30 -0.09 0.00 0.71 0.00 0.00 52.55 53.48 1bsh s ASP 111 Cb 0.00 -0.42 0.08 0.00 1.01 0.00 0.00 42.92 43.60 1bsh s ASP 111 CO 0.00 -2.59 0.24 1.33 0.21 0.00 0.00 175.17 174.35 1bsh n VAL 112 N -3.67 -0.12 0.00 -1.27 0.24 -1.26 -4.84 118.33 107.41 1bsh n VAL 112 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1bsh n VAL 112 Cb 0.60 -0.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -1.89 0.00 0.25 -1.34 -0.08 -1.25 -3.53 116.55 108.70 1bsh n ASP 113 Ca 0.03 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.48 1bsh n ASP 113 Cb 0.49 0.00 0.76 0.00 2.34 0.00 0.00 41.12 44.71 1bsh n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1bsh h TYR 114 N 0.00 0.00 -0.46 -0.67 0.05 -1.88 -1.31 116.97 112.70 1bsh h TYR 114 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1bsh h TYR 114 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1bsh h TYR 114 CO 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 178.16 177.09 1bsh h ALA 115 N 2.06 0.62 0.00 3.88 0.00 -1.93 -2.59 119.26 121.30 1bsh h ALA 115 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bsh h ALA 115 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bsh h ALA 115 CO 0.00 0.44 -0.71 1.96 0.00 0.00 0.00 179.25 180.93 1bsh h GLN 116 N 0.67 0.00 0.00 0.00 4.20 -1.46 -3.31 115.11 115.21 1bsh h GLN 116 Ca 0.13 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1bsh h GLN 116 Cb 0.53 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1bsh h GLN 116 CO 0.03 0.00 -0.46 0.00 -0.67 0.00 0.00 178.83 177.73 1bsh h ALA 117 N 2.30 0.95 0.00 3.87 0.00 -1.05 -2.77 119.26 122.56 1bsh h ALA 117 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bsh h ALA 117 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bsh h ALA 117 CO 0.00 0.58 0.00 1.03 0.00 0.00 0.00 179.25 180.86 1bsh h SER 118 N 0.00 0.00 0.00 0.00 0.87 -1.55 0.84 113.55 113.71 1bsh h SER 118 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1bsh h SER 118 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1bsh h SER 118 CO 0.06 0.00 -0.08 0.00 -0.53 0.00 0.00 176.83 176.28 1bsh h ALA 119 N 2.00 0.00 0.00 6.23 0.00 -1.72 -2.58 119.26 123.20 1bsh h ALA 119 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1bsh h ALA 119 Cb 0.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bsh h ALA 119 CO 0.00 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.48 1bsh n GLU 120 N -4.45 0.04 -0.06 0.00 0.28 -1.10 -1.41 120.64 113.94 1bsh n GLU 120 Ca -0.01 0.25 -0.04 0.00 -0.16 0.00 0.00 57.16 57.21 1bsh n GLU 120 Cb 0.04 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.40 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 0.00 0.00 0.00 -1.84 5.85 -0.93 -3.37 115.31 115.02 1bsh h LEU 121 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1bsh h LEU 121 Cb 0.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1bsh h LEU 121 CO 0.00 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.78 1bsh n ALA 122 N -3.45 2.49 -0.03 1.25 0.00 -0.97 -3.59 120.51 116.20 1bsh n ALA 122 Ca -0.06 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1bsh n ALA 122 Cb 0.22 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 1bsh n ALA 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 123 N 0.00 0.34 0.00 0.00 3.64 -1.39 -2.96 116.57 116.19 1bsh h LYS 123 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1bsh h LYS 123 Cb 0.00 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1bsh h LYS 123 CO 0.00 0.91 0.00 0.00 -2.27 0.00 0.00 179.45 178.09 1bsh n ALA 124 N -2.51 1.87 0.63 5.00 0.00 -1.24 -2.08 120.51 122.19 1bsh n ALA 124 Ca -0.08 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1bsh n ALA 124 Cb 0.50 -1.27 0.29 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.34 0.43 0.10 0.00 -0.00 -1.12 -3.56 119.36 113.86 1bsh n ILE 125 Ca 0.07 -0.26 -0.01 0.00 -0.00 0.00 0.00 62.75 62.56 1bsh n ILE 125 Cb 0.15 -0.31 0.28 0.00 -0.00 0.00 0.00 39.64 39.76 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 2.55 1.25 0.00 -1.39 0.00 -1.49 -1.99 119.26 118.19 1bsh h ALA 126 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 1bsh h ALA 126 Cb 0.72 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1bsh h ALA 126 CO 0.00 0.50 -1.15 -0.56 0.00 0.00 0.00 179.25 178.04 1bsh h GLN 127 N 0.23 0.00 0.00 0.00 3.07 -1.75 -3.09 115.11 113.56 1bsh h GLN 127 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1bsh h GLN 127 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1bsh h GLN 127 CO 0.05 0.86 0.00 1.28 0.09 0.00 0.00 178.83 181.10 1bsh n LEU 128 N -3.27 0.52 -0.09 0.06 4.77 -1.02 -1.67 117.00 116.30 1bsh n LEU 128 Ca -0.04 0.59 -0.15 0.00 -0.03 0.00 0.00 56.01 56.38 1bsh n LEU 128 Cb 0.96 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1bsh n LEU 128 CO 0.46 -0.31 -0.44 0.03 -1.33 0.00 0.00 177.39 175.81 1bsh h ARG 129 N 0.00 0.00 0.00 3.23 3.08 -1.35 -3.31 114.38 116.03 1bsh h ARG 129 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1bsh h ARG 129 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1bsh h ARG 129 CO 0.00 0.63 -0.31 -0.39 -1.07 0.00 0.00 179.97 178.83 1bsh h VAL 130 N -1.00 1.01 -0.57 2.04 -1.51 -1.60 -2.75 116.25 111.87 1bsh h VAL 130 Ca -0.21 -1.14 -0.08 0.00 -1.23 0.00 0.00 66.70 64.04 1bsh h VAL 130 Cb 0.99 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.78 1bsh h VAL 130 CO -0.13 0.30 0.06 -0.29 -1.23 0.00 0.00 177.57 176.28 1bsh h ILE 131 N 0.00 1.25 0.00 7.19 2.10 -1.47 -1.37 117.51 125.21 1bsh h ILE 131 Ca -0.00 -1.01 0.00 0.00 1.08 0.00 0.00 64.86 64.92 1bsh h ILE 131 Cb 0.63 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 1bsh h ILE 131 CO 0.04 0.37 0.00 -0.62 -1.08 0.00 0.00 178.15 176.86 1bsh n GLU 132 N -4.22 0.06 -0.00 2.19 -0.58 -1.04 -1.90 120.64 115.16 1bsh n GLU 132 Ca 0.03 0.27 -0.21 0.00 -0.42 0.00 0.00 57.16 56.83 1bsh n GLU 132 Cb 0.29 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 1bsh n GLU 132 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1bsh h LEU 133 N 0.00 0.34 -0.01 -4.62 3.38 -1.31 -3.33 115.31 109.76 1bsh h LEU 133 Ca 0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1bsh h LEU 133 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bsh h LEU 133 CO 0.00 1.60 -0.11 1.07 0.09 0.00 0.00 178.44 181.09 1bsh n THR 134 N -3.96 0.00 -0.19 0.22 5.66 -1.06 -3.81 114.28 111.13 1bsh n THR 134 Ca -0.25 -0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.73 1bsh n THR 134 Cb 0.88 -0.32 0.08 0.00 -1.55 0.00 0.00 70.33 69.42 1bsh n THR 134 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1bsh h LYS 135 N 0.02 0.44 0.00 1.09 1.79 -1.49 -1.18 116.57 117.25 1bsh h LYS 135 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1bsh h LYS 135 Cb 0.48 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1bsh h LYS 135 CO 0.00 0.29 -0.48 1.57 -1.08 0.00 0.00 179.45 179.75 1bsh h LYS 136 N 0.45 0.00 -1.03 3.15 2.10 -1.78 -3.33 116.57 116.14 1bsh h LYS 136 Ca 0.27 0.00 0.35 0.00 -2.00 0.00 0.00 60.65 59.27 1bsh h LYS 136 Cb 0.27 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 31.45 1bsh h LYS 136 CO -0.24 0.00 0.60 0.00 -2.00 0.00 0.00 179.45 177.80 1bsh h ALA 137 N 2.34 2.08 -0.00 0.07 0.00 -1.31 -3.53 119.26 118.90 1bsh h ALA 137 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1bsh h ALA 137 Cb 0.83 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bsh h ALA 137 CO 0.00 -0.72 0.00 -1.33 0.00 0.00 0.00 179.25 177.20