#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jye n MET 2 N 0.00 -3.98 0.01 0.00 0.00 -1.26 -5.04 117.12 106.85 2jye n MET 2 Ca 0.00 3.08 -0.03 0.00 0.00 0.00 0.00 57.70 60.75 2jye n MET 2 Cb 0.00 -5.00 -0.01 0.00 0.00 0.00 0.00 33.22 28.22 2jye n MET 2 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2jye n ASP 3 N 1.32 1.23 -4.60 7.83 8.00 -1.26 -5.02 116.55 124.05 2jye n ASP 3 Ca -0.23 0.18 -0.35 0.00 0.71 0.00 0.00 54.79 55.10 2jye n ASP 3 Cb 0.37 -0.43 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 2jye n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jye s VAL 4 N -2.15 4.72 -0.05 2.53 1.01 -1.03 -5.00 120.40 120.43 2jye s VAL 4 Ca -0.08 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.88 2jye s VAL 4 Cb 0.01 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2jye s VAL 4 CO 0.12 0.43 -0.16 -0.75 0.00 0.00 0.00 175.10 174.73 2jye s LYS 5 N 0.67 1.86 -0.00 2.72 2.20 -1.26 -1.77 119.74 124.16 2jye s LYS 5 Ca 0.04 -0.58 0.13 0.00 -0.36 0.00 0.00 55.97 55.19 2jye s LYS 5 Cb -0.13 -1.57 -0.15 0.00 -1.51 0.00 0.00 37.83 34.47 2jye s LYS 5 CO 0.02 0.19 0.49 0.00 -0.36 0.00 0.00 175.35 175.69 2jye s ASP 7 N -2.48 -0.07 -0.19 0.00 2.15 -1.26 -5.02 116.67 109.79 2jye s ASP 7 Ca 0.03 -0.55 -0.03 0.00 0.43 0.00 0.00 52.55 52.42 2jye s ASP 7 Cb 0.09 0.49 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 2jye s ASP 7 CO 0.53 -0.94 2.79 0.80 -0.17 0.00 0.00 175.17 178.18 2jye n MET 8 N -0.59 1.90 0.00 4.34 1.56 -1.26 -3.25 117.12 119.82 2jye n MET 8 Ca -0.05 -1.31 0.00 0.00 -0.27 0.00 0.00 57.70 56.07 2jye n MET 8 Cb 0.60 -1.79 0.00 0.00 2.15 0.00 0.00 33.22 34.18 2jye n MET 8 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2jye n GLU 9 N 1.45 0.00 -3.70 2.12 2.13 -1.26 -5.15 120.64 116.23 2jye n GLU 9 Ca 0.34 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.96 2jye n GLU 9 Cb 0.67 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.36 2jye n GLU 9 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jye s VAL 10 N 0.00 3.58 -0.46 6.31 1.01 -1.20 -5.10 120.40 124.53 2jye s VAL 10 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.78 2jye s VAL 10 Cb 0.00 -3.22 0.18 0.00 0.00 0.00 0.00 36.38 33.35 2jye s VAL 10 CO 0.00 -0.15 0.65 -0.94 0.00 0.00 0.00 175.10 174.66 2jye s SER 11 N -4.05 -1.22 -0.67 3.32 1.04 -1.26 -4.70 113.70 106.15 2jye s SER 11 Ca 0.43 -1.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.37 2jye s SER 11 Cb -0.07 1.76 0.17 0.00 0.10 0.00 0.00 66.02 67.99 2jye s SER 11 CO 0.28 -0.12 0.58 0.00 0.98 0.00 0.00 173.24 174.96 2jye n PRO 13 N 4.30 0.17 -1.64 0.00 -0.04 -1.26 -2.47 135.00 134.06 2jye n PRO 13 Ca 0.03 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.02 2jye n PRO 13 Cb 0.43 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.85 2jye n PRO 13 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jye n ASP 14 N -1.48 2.51 0.00 3.54 9.92 -1.26 -0.96 116.55 128.82 2jye n ASP 14 Ca 0.00 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.37 2jye n ASP 14 Cb 0.00 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.13 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jye n GLY 15 N 2.83 1.20 3.66 0.44 0.00 -1.26 -5.04 105.19 107.02 2jye n GLY 15 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 2jye n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jye s TYR 16 N -2.79 2.77 0.04 1.61 1.51 -0.13 -1.52 117.35 118.84 2jye s TYR 16 Ca 0.00 -0.19 0.05 0.00 -1.01 0.00 0.00 57.07 55.92 2jye s TYR 16 Cb 0.00 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 2jye s TYR 16 CO 0.00 0.57 -0.15 0.99 -1.11 0.00 0.00 175.55 175.86 2jye s THR 17 N -2.10 1.17 -0.39 -0.71 2.01 0.13 -4.76 115.64 110.99 2jye s THR 17 Ca 0.30 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 2jye s THR 17 Cb -0.07 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.42 2jye s THR 17 CO 0.20 0.04 0.24 0.00 -0.69 0.00 0.00 174.62 174.40 2jye n ARG 20 N 3.68 0.19 -3.59 0.00 5.12 -1.26 0.27 116.66 121.07 2jye n ARG 20 Ca -0.22 0.12 -0.27 0.00 -1.93 0.00 0.00 57.85 55.55 2jye n ARG 20 Cb 0.52 -2.04 -0.16 0.00 -1.16 0.00 0.00 32.46 29.62 2jye n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jye s LEU 21 N -2.08 0.49 -1.76 0.55 1.43 0.71 -4.39 118.68 113.64 2jye s LEU 21 Ca 0.67 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2jye s LEU 21 Cb -0.31 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.60 2jye s LEU 21 CO 0.57 -0.39 0.00 0.00 0.23 0.00 0.00 176.35 176.76 2jye n GLN 22 N 5.25 -1.25 -0.84 1.70 1.13 -1.26 -1.95 117.38 120.16 2jye n GLN 22 Ca -0.07 1.08 0.00 0.00 -1.94 0.00 0.00 57.00 56.07 2jye n GLN 22 Cb 0.46 -5.33 0.00 0.00 0.11 0.00 0.00 30.24 25.48 2jye n GLN 22 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2jye n SER 23 N -0.84 -3.58 0.07 1.08 2.88 -1.26 -4.78 113.62 107.18 2jye n SER 23 Ca -0.17 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.34 2jye n SER 23 Cb 0.57 -2.79 -0.08 0.00 -0.75 0.00 0.00 64.21 61.16 2jye n SER 23 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jye h GLY 24 N 0.00 0.00 0.00 0.46 0.00 -1.80 -3.49 103.07 98.24 2jye h GLY 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jye h GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2jye n ALA 25 N -2.34 0.00 -2.60 3.60 0.00 -1.24 -5.02 120.51 112.91 2jye n ALA 25 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 2jye n ALA 25 Cb 0.88 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2jye n ALA 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2jye s TRP 26 N -2.88 2.77 0.12 0.00 0.52 -1.26 -0.20 118.94 118.01 2jye s TRP 26 Ca 0.00 -0.29 0.05 0.00 0.02 0.00 0.00 56.10 55.88 2jye s TRP 26 Cb 0.00 -1.48 -0.04 0.00 -1.15 0.00 0.00 33.47 30.80 2jye s TRP 26 CO 0.00 0.44 -0.11 0.20 0.02 0.00 0.00 176.95 177.50 2jye s GLY 27 N -3.80 1.00 -0.38 0.98 0.00 0.14 -4.83 107.32 100.44 2jye s GLY 27 Ca 0.35 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 2jye s GLY 27 CO 0.22 -1.40 0.20 0.00 0.00 0.00 0.00 173.10 172.12 2jye n PRO 30 N 4.30 2.71 -3.82 0.00 -0.04 -1.26 0.18 135.00 137.07 2jye n PRO 30 Ca -0.16 -2.24 -0.06 0.00 -0.04 0.00 0.00 63.50 61.00 2jye n PRO 30 Cb 0.52 -3.02 -0.00 0.00 -0.04 0.00 0.00 33.50 30.96 2jye n PRO 30 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2jye s PHE 31 N 3.34 -0.06 0.57 0.54 -0.71 -0.57 -4.92 117.98 116.16 2jye s PHE 31 Ca 0.53 -0.40 -0.10 0.00 -1.04 0.00 0.00 56.93 55.93 2jye s PHE 31 Cb 0.15 0.72 -0.04 0.00 -1.21 0.00 0.00 43.02 42.63 2jye s PHE 31 CO -0.04 -1.16 0.95 -0.08 -1.34 0.00 0.00 175.22 173.56 2jye s THR 32 N -3.11 4.76 0.00 -4.49 -1.32 -1.26 -4.35 115.64 105.87 2jye s THR 32 Ca 0.14 0.69 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 2jye s THR 32 Cb -0.04 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 67.09 2jye s THR 32 CO 0.06 -1.03 0.00 1.67 -2.21 0.00 0.00 174.62 173.11 2jye n GLN 33 N -2.53 0.00 -4.61 7.08 7.27 -1.26 -4.95 117.38 118.38 2jye n GLN 33 Ca 0.04 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.83 2jye n GLN 33 Cb 0.54 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 33.11 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jye s ALA 34 N -1.97 3.40 0.13 1.69 0.00 -1.26 -4.82 121.76 118.92 2jye s ALA 34 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 2jye s ALA 34 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.57 2jye s ALA 34 CO 0.00 -0.21 0.00 0.28 0.00 0.00 0.00 175.76 175.83 2jye n VAL 35 N -1.05 0.00 -2.49 0.00 0.31 -1.26 -5.02 118.33 108.82 2jye n VAL 35 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.19 2jye n VAL 35 Cb 0.66 -0.15 -0.02 0.00 -0.91 0.00 0.00 33.84 33.42 2jye n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jye s GLU 38 N 3.40 0.99 0.48 0.00 2.02 -1.24 -4.31 118.70 120.04 2jye s GLU 38 Ca 0.00 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.52 2jye s GLU 38 Cb 0.00 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.27 2jye s GLU 38 CO 0.00 -0.21 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 2jye n ASP 39 N -0.15 -7.49 -4.55 -0.19 2.03 -1.26 -4.53 116.55 100.41 2jye n ASP 39 Ca -0.06 1.05 -0.38 0.00 0.52 0.00 0.00 54.79 55.91 2jye n ASP 39 Cb 0.63 -4.25 -0.03 0.00 -0.72 0.00 0.00 41.12 36.75 2jye n ASP 39 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2jye s HIS 40 N -3.47 1.62 -0.10 -0.67 5.04 -1.26 -4.88 115.29 111.58 2jye s HIS 40 Ca 0.00 0.84 -0.32 0.00 -1.54 0.00 0.00 55.06 54.04 2jye s HIS 40 Cb 0.00 -4.05 0.12 0.00 0.04 0.00 0.00 32.58 28.69 2jye s HIS 40 CO 0.00 -2.34 1.04 -1.50 -2.34 0.00 0.00 174.74 169.60 2jye s ILE 41 N 9.25 0.00 0.77 0.89 1.10 -1.26 -5.18 121.20 126.77 2jye s ILE 41 Ca 0.70 0.00 -0.10 0.00 -0.51 0.00 0.00 60.65 60.74 2jye s ILE 41 Cb -0.13 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.56 2jye s ILE 41 CO 0.21 0.00 1.12 -1.38 -2.11 0.00 0.00 174.94 172.78 2jye s HIS 42 N -2.69 2.81 1.35 3.50 -3.43 -1.26 -4.97 115.29 110.61 2jye s HIS 42 Ca 0.07 0.57 -0.21 0.00 -0.80 0.00 0.00 55.06 54.69 2jye s HIS 42 Cb -0.01 -3.41 0.34 0.00 -1.43 0.00 0.00 32.58 28.08 2jye s HIS 42 CO -0.07 -1.68 0.97 0.00 -2.00 0.00 0.00 174.74 171.96 2jye n PRO 45 N 0.32 0.77 -1.45 0.00 -0.02 -1.26 -4.88 135.00 128.48 2jye n PRO 45 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2jye n PRO 45 Cb 0.38 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jye n ALA 46 N 0.79 -2.32 0.00 3.55 0.00 -1.26 -4.87 120.51 116.40 2jye n ALA 46 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2jye n ALA 46 Cb 0.39 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2jye n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jye n GLY 47 N 0.75 2.59 3.62 0.00 0.00 -1.26 -5.08 105.19 105.81 2jye n GLY 47 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jye n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jye s PHE 48 N -2.40 2.52 -0.04 1.61 0.40 -1.26 -4.51 117.98 114.30 2jye s PHE 48 Ca 0.00 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.71 2jye s PHE 48 Cb 0.00 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.75 2jye s PHE 48 CO 0.00 0.45 -0.17 0.95 0.70 0.00 0.00 175.22 177.15 2jye s THR 49 N -2.71 1.42 -0.63 0.64 -4.23 -0.51 -4.77 115.64 104.86 2jye s THR 49 Ca 0.35 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.89 2jye s THR 49 Cb 0.10 -1.22 0.04 0.00 1.34 0.00 0.00 72.50 72.76 2jye s THR 49 CO 0.18 0.41 1.07 0.00 -0.54 0.00 0.00 174.62 175.74 2jye s ASP 51 N 3.29 7.07 0.55 0.00 2.15 0.19 -4.72 116.67 125.20 2jye s ASP 51 Ca 0.31 1.32 0.26 0.00 0.43 0.00 0.00 52.55 54.87 2jye s ASP 51 Cb -0.12 -2.50 1.47 0.00 -0.30 0.00 0.00 42.92 41.47 2jye s ASP 51 CO 0.17 -0.46 2.02 0.71 -0.17 0.00 0.00 175.17 177.44 2jye h THR 52 N 5.21 0.64 -0.68 1.71 1.35 -1.86 1.52 112.91 120.79 2jye h THR 52 Ca -0.28 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.78 2jye h THR 52 Cb 1.12 0.77 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 2jye h THR 52 CO 0.87 0.00 0.57 -0.61 -0.25 0.00 0.00 175.52 176.09 2jye h GLN 53 N 0.00 0.00 0.00 4.72 4.15 -1.87 -3.10 115.11 119.00 2jye h GLN 53 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.60 2jye h GLN 53 Cb 0.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2jye h GLN 53 CO -0.00 0.00 -0.14 1.63 -1.93 0.00 0.00 178.83 178.39 2jye n LYS 54 N -4.03 0.00 -4.27 1.69 4.76 -0.43 -5.01 118.16 110.86 2jye n LYS 54 Ca 0.14 -0.30 -0.33 0.00 -2.87 0.00 0.00 58.31 54.95 2jye n LYS 54 Cb 0.82 -0.17 -0.07 0.00 -1.84 0.00 0.00 35.03 33.77 2jye n LYS 54 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jye n GLY 55 N 0.00 -0.23 3.24 0.72 0.00 0.51 -4.81 105.19 104.63 2jye n GLY 55 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jye n GLY 55 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jye s THR 56 N -3.97 1.82 -0.35 2.61 -1.32 -1.02 -3.64 115.64 109.76 2jye s THR 56 Ca 0.23 -0.97 -0.17 0.00 -1.21 0.00 0.00 61.69 59.58 2jye s THR 56 Cb -0.13 -1.52 -0.01 0.00 -1.51 0.00 0.00 72.50 69.33 2jye s THR 56 CO 0.97 0.51 0.44 0.00 -2.21 0.00 0.00 174.62 174.33 2jye s GLU 58 N 2.20 1.54 -0.97 0.00 0.41 -0.86 -4.71 118.70 116.31 2jye s GLU 58 Ca 0.15 -1.87 -0.26 0.00 -0.41 0.00 0.00 54.97 52.58 2jye s GLU 58 Cb -0.16 -0.11 -0.16 0.00 -1.78 0.00 0.00 34.13 31.92 2jye s GLU 58 CO 0.12 -0.42 2.18 -1.14 -0.49 0.00 0.00 175.26 175.52 2jye s GLN 59 N -3.87 1.61 2.26 1.61 0.74 -1.26 -1.42 119.66 119.31 2jye s GLN 59 Ca 0.36 -0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.60 2jye s GLN 59 Cb 0.06 -4.95 0.00 0.00 1.10 0.00 0.00 33.01 29.22 2jye s GLN 59 CO 0.17 -4.76 0.00 1.17 -0.55 0.00 0.00 175.29 171.32 2jye n LYS 60 N 8.49 0.00 -3.05 1.67 4.81 -1.26 -4.96 118.16 123.85 2jye n LYS 60 Ca 0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.83 2jye n LYS 60 Cb 0.45 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.53 2jye n LYS 60 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2jye n LEU 61 N 0.00 -6.26 -0.08 3.14 4.77 -1.26 -4.80 117.00 112.51 2jye n LEU 61 Ca 0.00 -0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 2jye n LEU 61 Cb 0.00 -3.18 -0.12 0.00 -2.33 0.00 0.00 43.42 37.78 2jye n LEU 61 CO 0.00 -0.72 -0.68 0.00 -1.33 0.00 0.00 177.39 174.66 2jye n ALA 62 N -2.18 0.85 -0.81 -1.18 0.00 -1.26 -4.96 120.51 110.97 2jye n ALA 62 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2jye n ALA 62 Cb 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jye n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye n ALA 63 N -3.37 0.00 -0.33 0.00 0.00 -1.26 -3.67 120.51 111.88 2jye n ALA 63 Ca -0.34 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.36 2jye n ALA 63 Cb 0.79 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.74 2jye n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye h ALA 64 N -0.81 1.90 -0.17 0.00 0.00 -1.94 -2.02 119.26 116.22 2jye h ALA 64 Ca 0.00 0.27 -0.62 0.00 0.00 0.00 0.00 54.91 54.56 2jye h ALA 64 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jye h ALA 64 CO 0.00 -0.79 0.93 -0.11 0.00 0.00 0.00 179.25 179.28 2jye n LEU 65 N -5.26 0.66 -3.60 0.00 0.00 -1.24 0.12 117.00 107.67 2jye n LEU 65 Ca 0.33 0.62 -0.21 0.00 0.00 0.00 0.00 56.01 56.75 2jye n LEU 65 Cb 1.10 -0.70 0.05 0.00 0.00 0.00 0.00 43.42 43.87 2jye n LEU 65 CO 0.01 -0.61 -0.02 -0.62 0.00 0.00 0.00 177.39 176.15 2jye n GLU 66 N 5.28 -4.74 -3.22 1.96 -0.58 -1.26 -3.75 120.64 114.33 2jye n GLU 66 Ca 0.39 0.68 -0.23 0.00 -0.42 0.00 0.00 57.16 57.58 2jye n GLU 66 Cb -0.03 -5.30 0.02 0.00 -0.57 0.00 0.00 31.44 25.56 2jye n GLU 66 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jye n HIS 67 N -4.14 -2.79 -3.80 -0.32 8.25 0.12 -4.70 115.22 107.84 2jye n HIS 67 Ca -0.26 1.16 0.02 0.00 -0.26 0.00 0.00 57.72 58.38 2jye n HIS 67 Cb 0.67 -2.60 -0.01 0.00 1.12 0.00 0.00 29.99 29.17 2jye n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jye n HIS 68 N -0.03 -2.07 -0.56 4.41 -0.00 -0.76 -4.64 115.22 111.57 2jye n HIS 68 Ca -0.01 0.22 0.00 0.00 -0.00 0.00 0.00 57.72 57.94 2jye n HIS 68 Cb 0.55 -0.19 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2jye n HIS 68 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jye n HIS 69 N -1.98 0.00 0.02 1.57 -0.00 -1.26 -4.71 115.22 108.86 2jye n HIS 69 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2jye n HIS 69 Cb 0.08 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.86 2jye n HIS 69 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2jye h HIS 70 N 0.00 0.00 -5.78 1.57 3.86 -1.95 -3.49 115.15 109.36 2jye h HIS 70 Ca 0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 2jye h HIS 70 Cb 0.28 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.86 2jye h HIS 70 CO 0.00 0.72 -0.74 1.58 0.86 0.00 0.00 177.93 180.35 2jye n HIS 71 N -2.98 -2.35 1.54 2.45 -0.00 -1.26 -5.29 115.22 107.34 2jye n HIS 71 Ca -0.11 0.77 0.12 0.00 0.46 0.00 0.00 57.72 58.96 2jye n HIS 71 Cb 0.90 -3.80 0.73 0.00 -0.12 0.00 0.00 29.99 27.70 2jye n HIS 71 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52