#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 1.11 0.54 0.00 -2.45 -1.26 -4.92 119.30 112.32 1bsh s MET 2 Ca 0.00 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.03 1bsh s MET 2 Cb 0.00 -1.03 0.00 0.00 1.25 0.00 0.00 34.83 35.05 1bsh s MET 2 CO 0.00 0.19 0.00 0.25 1.05 0.00 0.00 175.02 176.51 1bsh n THR 3 N 3.08 -3.31 -2.83 10.11 -2.24 -1.26 -5.02 114.28 112.80 1bsh n THR 3 Ca -0.17 1.60 0.00 0.00 -2.27 0.00 0.00 64.05 63.22 1bsh n THR 3 Cb 0.55 -2.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.28 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n TYR 4 N -2.16 -0.27 -4.69 4.78 4.11 -0.36 -4.79 117.16 113.79 1bsh n TYR 4 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 1bsh n TYR 4 Cb 0.33 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.54 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 -4.01 2.51 0.04 -3.48 5.65 -1.20 -1.27 115.29 113.54 1bsh s HIS 5 Ca 0.00 -0.28 0.01 0.00 0.25 0.00 0.00 55.06 55.04 1bsh s HIS 5 Cb 0.00 -1.45 -0.03 0.00 -1.18 0.00 0.00 32.58 29.93 1bsh s HIS 5 CO 0.00 0.24 -0.06 -0.48 -0.65 0.00 0.00 174.74 173.79 1bsh s LEU 6 N -1.43 2.30 -0.36 8.88 0.05 -1.12 -0.24 118.68 126.76 1bsh s LEU 6 Ca 0.14 -0.63 0.03 0.00 0.05 0.00 0.00 54.13 53.73 1bsh s LEU 6 Cb -0.10 -0.05 0.16 0.00 -2.05 0.00 0.00 46.19 44.15 1bsh s LEU 6 CO 0.05 -0.30 0.39 -0.62 -0.55 0.00 0.00 176.35 175.32 1bsh s ASP 7 N -1.83 0.94 -0.09 1.48 -1.08 0.77 -2.72 116.67 114.13 1bsh s ASP 7 Ca -0.08 -1.38 -0.06 0.00 -0.52 0.00 0.00 52.55 50.52 1bsh s ASP 7 Cb -0.07 0.70 -0.04 0.00 -1.46 0.00 0.00 42.92 42.06 1bsh s ASP 7 CO -0.01 -0.27 0.14 0.68 0.52 0.00 0.00 175.17 176.22 1bsh s VAL 8 N 1.61 5.38 0.34 1.11 -7.23 -0.09 -2.23 120.40 119.28 1bsh s VAL 8 Ca 0.16 0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.32 1bsh s VAL 8 Cb -0.14 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.44 1bsh s VAL 8 CO -0.08 0.56 0.58 0.68 -0.31 0.00 0.00 175.10 176.53 1bsh s VAL 9 N -1.08 0.00 0.00 1.32 -7.23 -1.08 -3.63 120.40 108.70 1bsh s VAL 9 Ca 0.17 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1bsh s VAL 9 Cb -0.12 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1bsh s VAL 9 CO 0.07 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.66 1bsh n SER 10 N -1.20 0.04 0.00 4.85 7.64 -0.83 -0.77 113.62 123.35 1bsh n SER 10 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.74 1bsh n SER 10 Cb 0.61 0.00 -0.14 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 h ALA 11 N 1.00 0.62 -0.98 -0.43 0.00 -1.68 -3.42 119.26 114.37 1bsh h ALA 11 Ca 0.00 -1.35 -0.35 0.00 0.00 0.00 0.00 54.91 53.20 1bsh h ALA 11 Cb 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 17.79 17.90 1bsh h ALA 11 CO 0.00 1.46 -0.91 0.39 0.00 0.00 0.00 179.25 180.19 1bsh n GLU 12 N -3.19 1.07 0.00 0.00 1.02 -1.26 -5.07 120.64 113.21 1bsh n GLU 12 Ca -0.17 -2.80 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 1bsh n GLU 12 Cb 1.04 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 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 0.04 0.00 -3.16 3.49 10.64 -1.26 -5.15 117.38 121.99 1bsh n GLN 13 Ca 0.12 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.08 1bsh n GLN 13 Cb 0.75 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 30.14 1bsh n GLN 13 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1bsh s GLN 14 N 0.00 3.03 0.00 2.61 -0.21 -1.26 -1.97 119.66 121.86 1bsh s GLN 14 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1bsh s GLN 14 Cb 0.00 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.34 1bsh s GLN 14 CO 0.00 -0.17 0.00 -1.33 -2.12 0.00 0.00 175.29 171.67 1bsh n MET 15 N -1.91 0.00 -3.41 2.91 2.81 -1.24 -4.96 117.12 111.32 1bsh n MET 15 Ca 0.02 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 1bsh n MET 15 Cb 0.58 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.00 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 0.12 3.26 -0.48 2.03 5.36 -1.24 -4.99 117.98 122.04 1bsh s PHE 16 Ca 0.00 0.40 0.06 0.00 -0.96 0.00 0.00 56.93 56.43 1bsh s PHE 16 Cb 0.00 -2.55 0.18 0.00 -0.34 0.00 0.00 43.02 40.32 1bsh s PHE 16 CO 0.00 -0.20 0.58 -1.54 -1.46 0.00 0.00 175.22 172.60 1bsh s SER 17 N 1.58 -0.37 0.00 6.13 1.04 -1.26 -0.92 113.70 119.91 1bsh s SER 17 Ca 0.15 -2.20 0.00 0.00 0.48 0.00 0.00 55.95 54.37 1bsh s SER 17 Cb -0.16 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1bsh s SER 17 CO 0.10 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1bsh n GLY 18 N 2.95 0.77 3.42 7.32 0.00 -1.10 -5.01 105.19 113.53 1bsh n GLY 18 Ca 0.22 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1bsh n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsh s LEU 19 N 0.00 -0.11 0.00 0.99 1.43 -1.26 -2.80 118.68 116.93 1bsh s LEU 19 Ca 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1bsh s LEU 19 Cb 0.00 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1bsh s LEU 19 CO 0.00 -4.71 0.00 0.55 0.23 0.00 0.00 176.35 172.42 1bsh n VAL 20 N -5.22 0.00 0.01 -1.59 3.14 -0.40 -4.14 118.33 110.13 1bsh n VAL 20 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1bsh n VAL 20 Cb 0.58 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1bsh n GLU 21 N -0.03 0.00 -3.66 1.45 0.00 -0.69 -1.22 120.64 116.49 1bsh n GLU 21 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 1bsh n GLU 21 Cb 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 31.44 30.91 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1bsh s LYS 22 N -2.00 0.40 0.01 5.31 2.20 -1.17 -4.55 119.74 119.94 1bsh s LYS 22 Ca 0.00 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1bsh s LYS 22 Cb 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1bsh s LYS 22 CO 0.00 -0.22 0.01 0.44 -0.36 0.00 0.00 175.35 175.22 1bsh n ILE 23 N 5.12 0.00 -2.84 5.43 -5.35 -1.11 -0.71 119.36 119.89 1bsh n ILE 23 Ca -0.13 -0.03 0.03 0.00 -0.27 0.00 0.00 62.75 62.36 1bsh n ILE 23 Cb 0.51 -0.66 0.01 0.00 -1.74 0.00 0.00 39.64 37.76 1bsh n ILE 23 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1bsh s GLN 24 N -2.03 0.00 -0.16 6.28 -2.07 -0.74 -4.17 119.66 116.77 1bsh s GLN 24 Ca 0.01 0.00 -0.08 0.00 -1.82 0.00 0.00 55.36 53.46 1bsh s GLN 24 Cb -0.00 0.00 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 1bsh s GLN 24 CO 0.00 -0.00 0.11 0.54 -1.32 0.00 0.00 175.29 174.62 1bsh s VAL 25 N 2.37 5.24 -0.06 3.63 0.11 -1.25 -1.23 120.40 129.23 1bsh s VAL 25 Ca 0.21 0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1bsh s VAL 25 Cb 0.03 -3.34 -0.01 0.00 -1.53 0.00 0.00 36.38 31.53 1bsh s VAL 25 CO -0.19 0.51 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.96 1bsh s THR 26 N -0.14 1.98 0.00 5.04 2.01 -0.33 -3.79 115.64 120.41 1bsh s THR 26 Ca 0.09 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1bsh s THR 26 Cb -0.12 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1bsh s THR 26 CO 0.00 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 1bsh n GLY 27 N 2.97 -2.44 0.00 4.40 0.00 -1.26 -2.89 105.19 105.97 1bsh n GLY 27 Ca -0.17 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bsh n SER 28 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.87 113.62 111.98 1bsh n SER 28 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bsh n SER 28 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bsh n SER 28 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1bsh n GLU 29 N 0.00 0.00 -1.65 -1.46 4.07 -1.26 -4.59 120.64 115.75 1bsh n GLU 29 Ca 0.00 0.00 -0.52 0.00 -0.06 0.00 0.00 57.16 56.58 1bsh n GLU 29 Cb 0.00 -0.69 -0.06 0.00 -0.06 0.00 0.00 31.44 30.63 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bsh n GLY 30 N 0.79 1.06 2.75 8.31 0.00 -1.26 -4.84 105.19 111.99 1bsh n GLY 30 Ca 0.00 0.90 -0.42 0.00 0.00 0.00 0.00 46.02 46.51 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 6.54 4.81 -4.28 1.61 0.28 -1.26 -4.74 120.64 123.60 1bsh n GLU 31 Ca 0.28 -4.31 -0.23 0.00 -0.16 0.00 0.00 57.16 52.74 1bsh n GLU 31 Cb 0.22 -2.56 -0.07 0.00 1.43 0.00 0.00 31.44 30.46 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 -3.02 3.19 0.00 -1.84 1.43 -1.25 -4.84 118.68 112.35 1bsh s LEU 32 Ca 0.39 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1bsh s LEU 32 Cb 0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1bsh s LEU 32 CO -0.03 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1bsh n GLY 33 N -0.93 0.92 3.48 -3.19 0.00 -1.26 -3.77 105.19 100.45 1bsh n GLY 33 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 2.15 0.00 0.07 -0.61 -1.09 -1.26 -4.85 121.20 115.61 1bsh s ILE 34 Ca 0.00 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 1bsh s ILE 34 Cb 0.00 -0.81 -0.00 0.00 -1.58 0.00 0.00 42.46 40.07 1bsh s ILE 34 CO 0.00 -0.00 0.09 -1.22 -1.23 0.00 0.00 174.94 172.58 1bsh n TYR 35 N 2.76 -0.54 -0.68 3.97 4.02 -1.26 -2.75 117.16 122.68 1bsh n TYR 35 Ca -0.14 -0.52 -0.05 0.00 -0.01 0.00 0.00 57.90 57.18 1bsh n TYR 35 Cb 0.56 0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.94 1bsh n TYR 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1bsh n PRO 36 N -0.13 1.34 0.00 -0.72 -0.04 -1.26 -3.45 135.00 130.75 1bsh n PRO 36 Ca 0.00 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1bsh n PRO 36 Cb 0.13 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 1.65 0.00 3.78 0.55 0.00 -1.26 -4.21 105.19 105.70 1bsh n GLY 37 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 3.27 1.07 1.61 2.46 -1.22 -5.00 115.29 117.48 1bsh s HIS 38 Ca 0.00 1.64 -0.14 0.00 0.47 0.00 0.00 55.06 57.02 1bsh s HIS 38 Cb 0.00 -3.17 0.15 0.00 -0.13 0.00 0.00 32.58 29.43 1bsh s HIS 38 CO 0.00 -0.70 0.55 0.00 -2.47 0.00 0.00 174.74 172.12 1bsh n ALA 39 N 0.04 -2.97 -1.94 1.58 0.00 -1.26 -4.80 120.51 111.16 1bsh n ALA 39 Ca 0.04 -1.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 1bsh n ALA 39 Cb 0.49 -1.82 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -3.14 2.77 -3.91 0.00 -0.04 -1.26 -4.79 135.00 124.63 1bsh n PRO 40 Ca 0.04 -2.72 -0.32 0.00 -0.04 0.00 0.00 63.50 60.46 1bsh n PRO 40 Cb 0.56 -3.34 -0.04 0.00 -0.04 0.00 0.00 33.50 30.64 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 3.10 4.37 -0.35 1.53 2.01 -1.26 -4.98 118.68 123.09 1bsh s LEU 41 Ca 0.51 0.32 0.13 0.00 0.01 0.00 0.00 54.13 55.10 1bsh s LEU 41 Cb 0.10 -2.78 0.42 0.00 0.01 0.00 0.00 46.19 43.94 1bsh s LEU 41 CO -0.01 0.22 1.40 0.00 1.01 0.00 0.00 176.35 178.97 1bsh n LEU 42 N 0.65 -1.16 0.00 1.79 -0.00 -1.26 -2.62 117.00 114.40 1bsh n LEU 42 Ca -0.08 -3.32 0.00 0.00 -0.00 0.00 0.00 56.01 52.61 1bsh n LEU 42 Cb 0.52 0.12 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1bsh n LEU 42 CO 0.47 1.71 0.00 0.35 -0.00 0.00 0.00 177.39 179.93 1bsh n THR 43 N -1.03 0.00 -3.98 1.47 -2.24 -1.24 -4.74 114.28 102.52 1bsh n THR 43 Ca -0.09 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 1bsh n THR 43 Cb 0.86 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 3.87 0.54 6.98 0.00 -1.26 -2.39 121.76 127.50 1bsh s ALA 44 Ca 0.00 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1bsh s ALA 44 Cb 0.00 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.50 1bsh s ALA 44 CO 0.00 0.50 0.58 -1.50 0.00 0.00 0.00 175.76 175.35 1bsh s ILE 45 N -1.77 2.06 -0.39 0.00 2.07 -1.07 -4.78 121.20 117.33 1bsh s ILE 45 Ca 0.34 -1.23 -0.24 0.00 -1.41 0.00 0.00 60.65 58.11 1bsh s ILE 45 Cb -0.11 -2.29 0.01 0.00 0.13 0.00 0.00 42.46 40.21 1bsh s ILE 45 CO 0.27 0.00 0.84 -0.54 -1.91 0.00 0.00 174.94 173.60 1bsh s LYS 46 N -4.44 3.71 -0.16 3.50 3.01 -1.26 -4.74 119.74 119.35 1bsh s LYS 46 Ca 0.49 0.31 -0.29 0.00 -1.01 0.00 0.00 55.97 55.47 1bsh s LYS 46 Cb -0.04 -3.84 -0.01 0.00 -1.01 0.00 0.00 37.83 32.94 1bsh s LYS 46 CO 0.31 -0.95 1.09 -1.25 0.51 0.00 0.00 175.35 175.06 1bsh s PRO 47 N 3.29 4.31 0.00 -1.68 0.04 -1.26 -4.65 135.00 135.05 1bsh s PRO 47 Ca 0.33 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1bsh s PRO 47 Cb -0.12 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1bsh s PRO 47 CO 0.19 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1bsh n GLY 48 N 3.31 -0.53 3.72 0.56 0.00 0.23 -4.06 105.19 108.43 1bsh n GLY 48 Ca 0.11 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 2.25 -0.02 1.61 0.23 -1.14 -1.54 119.30 120.68 1bsh s MET 49 Ca 0.00 -1.74 -0.16 0.00 -1.03 0.00 0.00 55.69 52.76 1bsh s MET 49 Cb 0.00 -2.03 0.03 0.00 -1.53 0.00 0.00 34.83 31.29 1bsh s MET 49 CO 0.00 -0.01 0.34 -1.50 -2.03 0.00 0.00 175.02 171.82 1bsh s ILE 50 N -2.53 0.05 0.52 3.16 2.07 -1.10 -1.19 121.20 122.17 1bsh s ILE 50 Ca 0.39 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 1bsh s ILE 50 Cb 0.01 -0.64 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1bsh s ILE 50 CO 0.22 -0.22 0.14 -0.60 -1.91 0.00 0.00 174.94 172.57 1bsh s ARG 51 N -1.22 2.21 -0.12 3.50 3.52 -0.36 0.08 118.95 126.57 1bsh s ARG 51 Ca -0.12 -2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 52.92 1bsh s ARG 51 Cb -0.05 -1.73 0.12 0.00 -1.56 0.00 0.00 34.95 31.73 1bsh s ARG 51 CO 0.04 -0.43 0.98 0.42 -0.81 0.00 0.00 175.30 175.51 1bsh s ILE 52 N -2.83 0.00 0.03 4.11 1.01 0.64 -1.78 121.20 122.38 1bsh s ILE 52 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1bsh s ILE 52 Cb 0.01 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 1bsh s ILE 52 CO 0.10 0.00 -0.05 -0.69 0.00 0.00 0.00 174.94 174.30 1bsh s VAL 53 N -1.83 0.32 0.00 2.92 1.01 0.11 -2.46 120.40 120.47 1bsh s VAL 53 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1bsh s VAL 53 Cb -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1bsh s VAL 53 CO -0.02 -0.42 0.00 1.17 0.00 0.00 0.00 175.10 175.83 1bsh n LYS 54 N 1.60 0.00 -3.55 2.72 3.00 -1.17 -1.70 118.16 119.06 1bsh n LYS 54 Ca -0.23 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.83 1bsh n LYS 54 Cb 0.55 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.63 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1bsh n GLN 55 N 1.28 -2.13 -3.62 1.64 7.27 -1.26 0.89 117.38 121.45 1bsh n GLN 55 Ca 0.00 0.61 -0.23 0.00 0.07 0.00 0.00 57.00 57.45 1bsh n GLN 55 Cb 0.00 -4.82 0.07 0.00 2.41 0.00 0.00 30.24 27.90 1bsh n GLN 55 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1bsh n HIS 56 N -3.91 -2.57 -2.04 3.69 8.25 -1.26 -3.97 115.22 113.41 1bsh n HIS 56 Ca -0.12 0.97 -0.01 0.00 -0.26 0.00 0.00 57.72 58.30 1bsh n HIS 56 Cb 0.61 -4.85 0.00 0.00 1.12 0.00 0.00 29.99 26.88 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 57 N -1.73 -2.51 0.00 -1.41 0.00 -0.73 -5.08 105.19 93.72 1bsh n GLY 57 Ca -0.08 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.03 0.00 -4.63 1.61 -0.00 0.26 -4.98 115.22 107.50 1bsh n HIS 58 Ca 0.02 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.41 1bsh n HIS 58 Cb 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 29.94 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1bsh s GLU 59 N 0.00 3.21 0.24 -0.41 8.01 -1.26 -3.03 118.70 125.46 1bsh s GLU 59 Ca 0.00 -0.60 -0.16 0.00 0.01 0.00 0.00 54.97 54.22 1bsh s GLU 59 Cb 0.00 -2.68 0.01 0.00 -4.31 0.00 0.00 34.13 27.15 1bsh s GLU 59 CO 0.00 0.39 0.55 -1.83 0.01 0.00 0.00 175.26 174.38 1bsh s GLU 60 N -0.08 1.56 -0.05 1.61 4.04 -1.03 -4.97 118.70 119.78 1bsh s GLU 60 Ca -0.00 -1.09 0.04 0.00 0.04 0.00 0.00 54.97 53.96 1bsh s GLU 60 Cb -0.13 0.52 -0.00 0.00 0.02 0.00 0.00 34.13 34.53 1bsh s GLU 60 CO 0.03 -0.67 -0.17 -0.59 -1.84 0.00 0.00 175.26 172.02 1bsh s PHE 61 N -3.96 1.79 0.00 4.83 -0.71 -1.26 -0.26 117.98 118.42 1bsh s PHE 61 Ca 0.16 -0.56 0.00 0.00 -1.04 0.00 0.00 56.93 55.49 1bsh s PHE 61 Cb -0.02 -1.22 0.00 0.00 -1.21 0.00 0.00 43.02 40.57 1bsh s PHE 61 CO 0.05 -0.21 0.00 -0.89 -1.34 0.00 0.00 175.22 172.84 1bsh n ILE 62 N 3.26 0.00 -3.28 -4.49 5.41 0.11 -3.99 119.36 116.38 1bsh n ILE 62 Ca -0.19 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.60 1bsh n ILE 62 Cb 0.53 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.41 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 3.39 -0.08 0.30 1.39 6.14 -1.26 -2.69 117.35 124.54 1bsh s TYR 63 Ca 0.00 0.14 0.11 0.00 0.64 0.00 0.00 57.07 57.96 1bsh s TYR 63 Cb 0.00 0.05 -0.05 0.00 0.42 0.00 0.00 41.96 42.37 1bsh s TYR 63 CO 0.00 -0.04 -0.17 -0.51 0.64 0.00 0.00 175.55 175.47 1bsh s LEU 64 N 1.85 2.63 -0.01 6.97 1.43 -0.59 -2.71 118.68 128.25 1bsh s LEU 64 Ca -0.01 -1.08 0.11 0.00 -1.03 0.00 0.00 54.13 52.11 1bsh s LEU 64 Cb -0.01 -1.05 -0.14 0.00 0.03 0.00 0.00 46.19 45.01 1bsh s LEU 64 CO -0.15 -0.04 0.37 -0.24 0.23 0.00 0.00 176.35 176.52 1bsh n SER 65 N -0.67 1.29 0.00 2.29 2.88 -1.26 -0.60 113.62 117.56 1bsh n SER 65 Ca -0.05 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.04 1bsh n SER 65 Cb 0.61 1.21 0.00 0.00 -0.75 0.00 0.00 64.21 65.28 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 1.50 3.65 0.00 0.46 0.00 -1.26 -4.67 105.19 104.87 1bsh n GLY 66 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.57 -0.80 3.98 -0.02 0.00 -1.26 -3.37 105.19 102.14 1bsh n GLY 67 Ca 0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.52 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 68 N -2.88 2.91 0.18 -0.61 1.01 0.94 -2.59 121.20 120.16 1bsh s ILE 68 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 59.39 1bsh s ILE 68 Cb 0.00 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.50 1bsh s ILE 68 CO 0.00 0.00 0.49 -1.48 0.00 0.00 0.00 174.94 173.95 1bsh s LEU 69 N -4.30 0.16 -0.24 2.97 0.05 -1.00 -0.83 118.68 115.48 1bsh s LEU 69 Ca 0.53 -0.46 -0.18 0.00 0.05 0.00 0.00 54.13 54.07 1bsh s LEU 69 Cb -0.08 2.06 0.07 0.00 -2.05 0.00 0.00 46.19 46.18 1bsh s LEU 69 CO 0.32 -1.01 0.62 -0.70 -0.55 0.00 0.00 176.35 175.02 1bsh s GLU 70 N -3.87 0.67 0.11 1.48 2.12 -0.17 -3.65 118.70 115.39 1bsh s GLU 70 Ca 0.09 0.99 0.02 0.00 0.36 0.00 0.00 54.97 56.42 1bsh s GLU 70 Cb -0.00 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 1bsh s GLU 70 CO -0.04 -0.12 0.24 0.54 -0.54 0.00 0.00 175.26 175.34 1bsh s VAL 71 N 0.99 5.29 0.29 3.70 0.11 -1.08 -1.76 120.40 127.96 1bsh s VAL 71 Ca -0.05 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.44 1bsh s VAL 71 Cb -0.05 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 1bsh s VAL 71 CO -0.09 0.01 0.08 -1.10 -3.33 0.00 0.00 175.10 170.67 1bsh s GLN 72 N -2.90 1.54 -0.61 1.54 1.11 0.11 -4.90 119.66 115.54 1bsh s GLN 72 Ca 0.34 -1.85 -0.28 0.00 0.01 0.00 0.00 55.36 53.59 1bsh s GLN 72 Cb -0.12 -0.53 0.02 0.00 -1.01 0.00 0.00 33.01 31.37 1bsh s GLN 72 CO 0.28 -0.26 1.37 -1.25 0.01 0.00 0.00 175.29 175.43 1bsh s PRO 73 N -3.95 3.27 0.00 2.91 0.04 -1.26 -3.05 135.00 132.96 1bsh s PRO 73 Ca 0.37 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1bsh s PRO 73 Cb 0.08 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1bsh s PRO 73 CO 0.15 -2.00 0.00 0.41 0.04 0.00 0.00 177.00 175.60 1bsh n GLY 74 N 5.28 0.86 3.62 0.56 0.00 -1.26 -4.99 105.19 109.26 1bsh n GLY 74 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1bsh n GLY 74 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1bsh s ASN 75 N -2.85 -0.10 -0.08 1.61 0.01 -1.17 -3.22 114.94 109.14 1bsh s ASN 75 Ca 0.00 -0.90 -0.15 0.00 -0.71 0.00 0.00 52.86 51.10 1bsh s ASN 75 Cb 0.00 0.60 0.03 0.00 0.41 0.00 0.00 41.25 42.30 1bsh s ASN 75 CO 0.00 -1.16 0.37 -0.69 -1.51 0.00 0.00 177.10 174.11 1bsh s VAL 76 N -4.00 0.02 -0.16 1.60 1.01 0.67 -0.71 120.40 118.84 1bsh s VAL 76 Ca 0.21 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1bsh s VAL 76 Cb -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.81 1bsh s VAL 76 CO 0.09 -0.11 0.42 0.42 0.00 0.00 0.00 175.10 175.91 1bsh s THR 77 N -0.54 -0.00 0.05 3.92 -4.23 -0.72 -0.16 115.64 113.95 1bsh s THR 77 Ca -0.07 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1bsh s THR 77 Cb -0.04 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1bsh s THR 77 CO 0.03 0.01 -0.03 0.68 -0.54 0.00 0.00 174.62 174.76 1bsh s VAL 78 N 0.40 0.23 0.12 2.29 -7.23 -0.95 -1.00 120.40 114.27 1bsh s VAL 78 Ca -0.01 -1.66 0.10 0.00 -1.81 0.00 0.00 61.98 58.59 1bsh s VAL 78 Cb -0.04 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1bsh s VAL 78 CO -0.01 -0.91 -0.22 -0.76 -0.31 0.00 0.00 175.10 172.89 1bsh s LEU 79 N -2.68 2.52 0.00 1.32 1.02 -0.01 -2.65 118.68 118.20 1bsh s LEU 79 Ca 0.03 -0.65 -0.01 0.00 0.02 0.00 0.00 54.13 53.53 1bsh s LEU 79 Cb 0.05 -1.39 0.00 0.00 0.02 0.00 0.00 46.19 44.87 1bsh s LEU 79 CO -0.08 0.18 0.29 0.00 0.02 0.00 0.00 176.35 176.76 1bsh n ALA 80 N 0.85 -0.16 0.00 4.21 0.00 0.05 -0.04 120.51 125.42 1bsh n ALA 80 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1bsh n ALA 80 Cb 0.53 0.81 0.00 0.00 0.00 0.00 0.00 19.45 20.78 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsh n ASP 81 N -1.86 4.05 -4.69 0.00 9.92 -1.22 -2.40 116.55 120.36 1bsh n ASP 81 Ca 0.01 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.04 1bsh n ASP 81 Cb 0.36 0.36 -0.07 0.00 -0.64 0.00 0.00 41.12 41.13 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 -1.83 3.19 -0.48 -3.53 2.01 -1.26 -4.41 115.64 109.33 1bsh s THR 82 Ca 0.00 -1.81 0.06 0.00 0.31 0.00 0.00 61.69 60.25 1bsh s THR 82 Cb 0.00 -2.92 0.19 0.00 0.01 0.00 0.00 72.50 69.78 1bsh s THR 82 CO 0.00 -0.27 0.75 0.00 -0.69 0.00 0.00 174.62 174.42 1bsh s ALA 83 N -2.39 -2.43 -1.08 7.40 0.00 -1.26 -4.34 121.76 117.67 1bsh s ALA 83 Ca 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1bsh s ALA 83 Cb -0.04 -2.75 0.31 0.00 0.00 0.00 0.00 23.12 20.63 1bsh s ALA 83 CO 0.21 -2.27 1.49 -0.89 0.00 0.00 0.00 175.76 174.30 1bsh n ILE 84 N 3.18 5.34 -0.93 0.00 5.41 -1.10 -5.01 119.36 126.25 1bsh n ILE 84 Ca 0.16 -5.93 -0.35 0.00 1.00 0.00 0.00 62.75 57.63 1bsh n ILE 84 Cb 0.57 -2.08 0.07 0.00 -0.71 0.00 0.00 39.64 37.49 1bsh n ILE 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1bsh n ARG 85 N 1.34 -0.16 -0.02 0.38 0.63 -1.26 -4.46 116.66 113.12 1bsh n ARG 85 Ca 0.26 -0.03 -0.14 0.00 -0.92 0.00 0.00 57.85 57.02 1bsh n ARG 85 Cb 0.33 -1.27 -0.09 0.00 0.45 0.00 0.00 32.46 31.88 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 -1.21 -0.95 -5.44 5.14 0.00 -1.73 -3.02 103.07 95.87 1bsh h GLY 86 Ca -0.44 0.64 -0.62 0.00 0.00 0.00 0.00 47.33 46.90 1bsh h GLY 86 CO 0.27 -0.20 -0.38 0.61 0.00 0.00 0.00 176.54 176.84 1bsh n GLN 87 N -5.43 3.59 0.06 4.80 -0.00 -1.26 -3.48 117.38 115.66 1bsh n GLN 87 Ca -0.05 -4.84 -0.10 0.00 -0.00 0.00 0.00 57.00 52.01 1bsh n GLN 87 Cb 0.37 -2.28 -0.06 0.00 -0.00 0.00 0.00 30.24 28.27 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1bsh h ASP 88 N 3.17 -1.04 0.00 2.61 3.58 -1.84 -3.46 116.42 119.44 1bsh h ASP 88 Ca 0.19 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.76 1bsh h ASP 88 Cb 0.47 0.39 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1bsh h ASP 88 CO 0.88 -0.35 0.00 0.18 -2.88 0.00 0.00 179.24 177.07 1bsh n LEU 89 N -4.39 0.00 -4.21 2.28 4.77 -1.26 -5.05 117.00 109.14 1bsh n LEU 89 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1bsh n LEU 89 Cb 0.26 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.63 1bsh n LEU 89 CO 0.09 0.00 0.33 0.47 -1.33 0.00 0.00 177.39 176.95 1bsh n ASP 90 N -0.16 -3.92 0.00 -1.43 8.00 -1.26 -4.99 116.55 112.79 1bsh n ASP 90 Ca 0.00 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.72 1bsh n ASP 90 Cb 0.00 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bsh n GLU 91 N -5.30 0.00 0.15 -1.24 1.02 -1.26 -4.87 120.64 109.14 1bsh n GLU 91 Ca 0.12 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 1bsh n GLU 91 Cb 0.57 -0.26 0.12 0.00 -0.02 0.00 0.00 31.44 31.85 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 0.00 0.76 0.00 0.62 0.00 -1.97 -3.21 119.26 115.45 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 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 1bsh n ARG 93 N -2.78 0.16 0.10 0.00 0.63 -1.26 -2.72 116.66 110.78 1bsh n ARG 93 Ca 0.02 0.03 0.12 0.00 -0.92 0.00 0.00 57.85 57.11 1bsh n ARG 93 Cb 0.52 -1.50 0.07 0.00 0.45 0.00 0.00 32.46 32.00 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bsh h ALA 94 N 3.07 0.56 0.00 5.13 0.00 -1.90 -3.26 119.26 122.86 1bsh h ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 94 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1bsh h ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 1bsh n MET 95 N -2.51 0.19 0.12 0.00 2.81 -1.10 -2.79 117.12 113.83 1bsh n MET 95 Ca 0.01 0.14 -0.24 0.00 -1.81 0.00 0.00 57.70 55.81 1bsh n MET 95 Cb 0.51 -1.50 -0.16 0.00 -0.71 0.00 0.00 33.22 31.37 1bsh n MET 95 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1bsh h GLU 96 N 0.00 0.48 -0.02 0.03 5.08 -1.74 -3.31 114.58 115.10 1bsh h GLU 96 Ca 0.00 -0.82 0.01 0.00 -1.00 0.00 0.00 59.36 57.55 1bsh h GLU 96 Cb 0.19 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1bsh h GLU 96 CO 0.00 1.39 -0.25 0.00 -1.00 0.00 0.00 179.01 179.16 1bsh h ALA 97 N 0.13 -0.69 -1.41 3.43 0.00 -1.73 0.16 119.26 119.14 1bsh h ALA 97 Ca -0.27 -0.04 0.41 0.00 0.00 0.00 0.00 54.91 55.02 1bsh h ALA 97 Cb 2.09 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 20.53 1bsh h ALA 97 CO 0.23 -0.76 0.99 -0.22 0.00 0.00 0.00 179.25 179.50 1bsh h LYS 98 N -0.30 0.05 0.66 0.00 3.11 -1.73 0.15 116.57 118.51 1bsh h LYS 98 Ca 0.01 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1bsh h LYS 98 Cb 0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 1bsh h LYS 98 CO -0.17 0.03 -0.34 -0.09 -2.81 0.00 0.00 179.45 176.07 1bsh h ARG 99 N 0.05 -0.88 0.00 1.90 2.43 -0.78 -1.80 114.38 115.30 1bsh h ARG 99 Ca 0.71 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.94 1bsh h ARG 99 Cb 2.66 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 32.40 1bsh h ARG 99 CO -0.09 -0.59 0.00 1.63 -1.51 0.00 0.00 179.97 179.41 1bsh n LYS 100 N -5.49 0.87 -0.04 0.20 5.02 -0.04 -3.44 118.16 115.25 1bsh n LYS 100 Ca -0.13 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 1bsh n LYS 100 Cb 0.38 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 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 3.34 0.20 -0.24 7.82 0.00 -0.49 -3.09 119.26 126.80 1bsh h ALA 101 Ca 0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 54.91 53.77 1bsh h ALA 101 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1bsh h ALA 101 CO 0.00 0.71 -0.15 1.49 0.00 0.00 0.00 179.25 181.30 1bsh h GLU 102 N -0.59 0.40 0.00 0.00 4.57 -1.52 -1.98 114.58 115.46 1bsh h GLU 102 Ca -0.29 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1bsh h GLU 102 Cb 1.53 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1bsh h GLU 102 CO -0.03 0.55 0.00 1.49 -1.18 0.00 0.00 179.01 179.84 1bsh h GLU 103 N 0.37 0.00 0.00 1.92 4.81 -1.70 -2.98 114.58 117.00 1bsh h GLU 103 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1bsh h GLU 103 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1bsh h GLU 103 CO 0.03 0.00 -0.01 1.25 -0.73 0.00 0.00 179.01 179.55 1bsh h HIS 104 N 0.00 0.00 0.00 0.92 2.76 -1.27 -3.30 115.15 114.25 1bsh h HIS 104 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1bsh h HIS 104 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1bsh h HIS 104 CO 0.00 0.00 0.01 0.82 -1.30 0.00 0.00 177.93 177.46 1bsh h ILE 105 N -0.48 0.00 -0.71 6.26 2.04 -1.65 -3.34 117.51 119.63 1bsh h ILE 105 Ca 0.00 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.23 1bsh h ILE 105 Cb 0.01 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1bsh h ILE 105 CO 0.00 0.00 2.12 -0.24 0.00 0.00 0.00 178.15 180.03 1bsh n SER 106 N -2.29 4.52 0.00 1.72 2.88 -1.12 -4.77 113.62 114.55 1bsh n SER 106 Ca -0.01 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1bsh n SER 106 Cb 0.04 -1.73 0.00 0.00 -0.75 0.00 0.00 64.21 61.77 1bsh n SER 106 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1bsh n SER 107 N 9.11 0.00 -2.53 -3.46 3.41 -1.26 -4.95 113.62 113.94 1bsh n SER 107 Ca 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 59.07 1bsh n SER 107 Cb 0.45 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1bsh n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bsh n SER 108 N 0.00 -4.32 -3.37 4.04 7.64 -1.26 -4.99 113.62 111.36 1bsh n SER 108 Ca 0.00 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.31 1bsh n SER 108 Cb 0.00 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.93 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 1.93 -0.18 0.00 1.43 -0.00 -1.26 -4.84 115.22 112.29 1bsh n HIS 109 Ca -0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1bsh n HIS 109 Cb 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 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 3.13 4.81 0.17 1.57 0.00 -1.26 -4.43 105.19 109.18 1bsh n GLY 110 Ca 0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 1bsh n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bsh h ASP 111 N 0.00 -0.27 0.00 1.61 3.58 -1.99 -3.37 116.42 115.99 1bsh h ASP 111 Ca 0.00 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1bsh h ASP 111 Cb 0.00 0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1bsh h ASP 111 CO 0.00 0.23 0.00 1.33 -2.88 0.00 0.00 179.24 177.92 1bsh n VAL 112 N -4.98 0.00 0.00 2.25 0.24 -1.26 -4.42 118.33 110.16 1bsh n VAL 112 Ca -0.06 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1bsh n VAL 112 Cb 0.19 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -0.68 0.00 0.22 -1.34 2.03 -1.26 -2.25 116.55 113.26 1bsh n ASP 113 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1bsh n ASP 113 Cb 0.01 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 40.81 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bsh h TYR 114 N 0.00 0.00 -0.01 -0.67 5.03 -1.84 -2.70 116.97 116.79 1bsh h TYR 114 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1bsh h TYR 114 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1bsh h TYR 114 CO 0.00 0.21 0.02 0.00 -1.32 0.00 0.00 178.16 177.07 1bsh h ALA 115 N 1.79 1.30 -0.35 1.82 0.00 -1.72 -1.59 119.26 120.51 1bsh h ALA 115 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1bsh h ALA 115 Cb 0.82 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1bsh h ALA 115 CO 0.03 -0.03 -0.18 1.96 0.00 0.00 0.00 179.25 181.02 1bsh h GLN 116 N 0.00 0.75 0.00 0.00 1.08 -1.10 -2.55 115.11 113.29 1bsh h GLN 116 Ca 0.01 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 1bsh h GLN 116 Cb 0.05 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1bsh h GLN 116 CO -0.00 0.95 0.00 0.00 -0.95 0.00 0.00 178.83 178.83 1bsh n ALA 117 N -2.47 1.97 1.58 3.87 0.00 -0.62 -2.59 120.51 122.25 1bsh n ALA 117 Ca -0.02 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1bsh n ALA 117 Cb 0.41 -1.37 0.76 0.00 0.00 0.00 0.00 19.45 19.25 1bsh n ALA 117 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bsh n SER 118 N -1.76 0.00 0.08 0.00 7.64 -0.96 -2.74 113.62 115.88 1bsh n SER 118 Ca 0.05 -0.69 0.12 0.00 1.01 0.00 0.00 58.87 59.36 1bsh n SER 118 Cb 0.28 -0.05 0.14 0.00 -1.01 0.00 0.00 64.21 63.56 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh h ALA 119 N 3.58 0.60 0.00 -0.43 0.00 -1.60 -3.26 119.26 118.15 1bsh h ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 119 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1bsh h ALA 119 CO 0.00 0.00 -0.35 1.05 0.00 0.00 0.00 179.25 179.95 1bsh h GLU 120 N 0.00 0.00 0.07 0.00 4.11 -1.74 -3.23 114.58 113.79 1bsh h GLU 120 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.15 1bsh h GLU 120 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1bsh h GLU 120 CO 0.00 0.00 -1.50 1.25 0.07 0.00 0.00 179.01 178.83 1bsh h LEU 121 N 0.00 0.25 -1.57 3.06 6.46 -1.72 -3.20 115.31 118.59 1bsh h LEU 121 Ca 0.00 -0.76 0.01 0.00 -0.12 0.00 0.00 57.88 57.00 1bsh h LEU 121 Cb 0.82 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1bsh h LEU 121 CO 0.00 1.63 0.30 0.00 -0.62 0.00 0.00 178.44 179.75 1bsh h ALA 122 N -0.17 1.70 0.00 1.25 0.00 -1.68 0.18 119.26 120.53 1bsh h ALA 122 Ca -0.35 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 1bsh h ALA 122 Cb 1.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1bsh h ALA 122 CO -0.03 0.28 -0.57 1.57 0.00 0.00 0.00 179.25 180.50 1bsh h LYS 123 N 0.59 0.00 -0.00 0.00 2.10 -1.70 -2.76 116.57 114.80 1bsh h LYS 123 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 1bsh h LYS 123 Cb -0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1bsh h LYS 123 CO -0.04 0.57 -0.28 0.00 -2.00 0.00 0.00 179.45 177.70 1bsh n ALA 124 N -2.36 3.08 1.55 0.07 0.00 -0.34 -3.48 120.51 119.03 1bsh n ALA 124 Ca -0.01 -0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.29 1bsh n ALA 124 Cb 0.62 -1.23 0.76 0.00 0.00 0.00 0.00 19.45 19.60 1bsh n ALA 124 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bsh n ILE 125 N -1.24 0.00 0.16 0.00 0.13 -0.10 -3.34 119.36 114.97 1bsh n ILE 125 Ca 0.09 -0.02 0.03 0.00 -1.10 0.00 0.00 62.75 61.74 1bsh n ILE 125 Cb 0.33 -0.37 0.21 0.00 -0.84 0.00 0.00 39.64 38.97 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bsh h ALA 126 N 3.62 0.87 -0.28 1.51 0.00 -1.67 -3.03 119.26 120.29 1bsh h ALA 126 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1bsh h ALA 126 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bsh h ALA 126 CO 0.00 0.62 -0.02 -0.56 0.00 0.00 0.00 179.25 179.29 1bsh h GLN 127 N 0.00 0.43 0.00 0.00 3.07 -1.82 -0.90 115.11 115.89 1bsh h GLN 127 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.65 1bsh h GLN 127 Cb 1.10 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1bsh h GLN 127 CO 0.06 0.48 -0.08 -0.11 0.09 0.00 0.00 178.83 179.27 1bsh n LEU 128 N -4.30 0.12 0.00 0.06 7.94 -1.15 -2.64 117.00 117.04 1bsh n LEU 128 Ca 0.01 0.42 -0.10 0.00 -1.11 0.00 0.00 56.01 55.23 1bsh n LEU 128 Cb 0.24 -0.45 -0.14 0.00 0.53 0.00 0.00 43.42 43.60 1bsh n LEU 128 CO 0.38 0.01 -0.41 0.03 -1.11 0.00 0.00 177.39 176.29 1bsh h ARG 129 N 0.00 0.04 0.00 1.96 2.47 -1.15 -3.21 114.38 114.50 1bsh h ARG 129 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1bsh h ARG 129 Cb 0.51 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1bsh h ARG 129 CO 0.00 0.69 -0.67 1.33 0.56 0.00 0.00 179.97 181.88 1bsh n VAL 130 N -3.17 0.16 0.06 2.04 0.24 -0.93 -3.90 118.33 112.83 1bsh n VAL 130 Ca -0.15 -0.15 0.05 0.00 -2.04 0.00 0.00 64.34 62.05 1bsh n VAL 130 Cb 1.03 0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 1bsh n VAL 130 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bsh n ILE 131 N -1.82 0.93 0.08 1.34 3.06 -1.08 -3.74 119.36 118.13 1bsh n ILE 131 Ca 0.04 -0.63 -0.21 0.00 -2.50 0.00 0.00 62.75 59.45 1bsh n ILE 131 Cb 0.39 -0.55 -0.12 0.00 0.54 0.00 0.00 39.64 39.90 1bsh n ILE 131 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1bsh h GLU 132 N 0.00 0.60 -0.03 9.51 4.39 -1.67 -3.18 114.58 124.20 1bsh h GLU 132 Ca -0.09 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.84 1bsh h GLU 132 Cb 1.33 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1bsh h GLU 132 CO 0.03 1.34 0.00 1.47 -1.16 0.00 0.00 179.01 180.68 1bsh n LEU 133 N -3.78 0.44 0.04 1.33 -0.00 -1.25 -3.31 117.00 110.46 1bsh n LEU 133 Ca -0.12 -0.18 0.12 0.00 -0.00 0.00 0.00 56.01 55.83 1bsh n LEU 133 Cb 0.96 -0.02 0.26 0.00 -0.00 0.00 0.00 43.42 44.62 1bsh n LEU 133 CO 0.57 0.09 0.49 0.35 -0.00 0.00 0.00 177.39 178.89 1bsh n THR 134 N -0.53 0.24 0.83 1.47 -2.24 -1.20 -3.56 114.28 109.28 1bsh n THR 134 Ca 0.16 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 1bsh n THR 134 Cb 0.15 -0.10 0.44 0.00 -2.10 0.00 0.00 70.33 68.71 1bsh n THR 134 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1bsh n LYS 135 N -1.89 0.26 -0.11 -0.78 2.85 -1.21 -3.02 118.16 114.26 1bsh n LYS 135 Ca 0.05 0.12 -0.22 0.00 -1.05 0.00 0.00 58.31 57.20 1bsh n LYS 135 Cb 0.40 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.16 1bsh n LYS 135 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1bsh n LYS 136 N -1.27 0.65 -0.41 -1.58 4.81 -1.23 -4.22 118.16 114.90 1bsh n LYS 136 Ca 0.08 0.23 0.40 0.00 -0.87 0.00 0.00 58.31 58.15 1bsh n LYS 136 Cb 0.13 -1.56 0.74 0.00 0.02 0.00 0.00 35.03 34.36 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 -0.29 3.29 0.00 3.14 0.00 -1.71 -3.54 119.26 120.15 1bsh h ALA 137 Ca -0.57 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1bsh h ALA 137 Cb 1.80 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1bsh h ALA 137 CO -0.16 -1.78 0.00 -1.33 0.00 0.00 0.00 179.25 175.98