#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jye s MET 2 N 0.00 2.81 -0.29 0.00 -2.45 -1.26 -5.03 119.30 113.08 2jye s MET 2 Ca 0.00 -1.27 -0.12 0.00 -1.25 0.00 0.00 55.69 53.05 2jye s MET 2 Cb 0.00 -3.89 0.11 0.00 1.25 0.00 0.00 34.83 32.31 2jye s MET 2 CO 0.00 -0.88 0.66 0.16 1.05 0.00 0.00 175.02 176.02 2jye s ASP 3 N 2.03 -1.09 0.14 1.11 -4.77 -1.26 -4.19 116.67 108.65 2jye s ASP 3 Ca 0.03 1.56 -0.18 0.00 -3.30 0.00 0.00 52.55 50.66 2jye s ASP 3 Cb -0.22 2.03 -0.07 0.00 -1.09 0.00 0.00 42.92 43.57 2jye s ASP 3 CO 0.06 -0.23 0.62 -0.69 0.70 0.00 0.00 175.17 175.63 2jye s VAL 4 N 2.51 4.70 -0.06 2.11 1.01 -0.57 -4.96 120.40 125.15 2jye s VAL 4 Ca -0.07 1.15 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 2jye s VAL 4 Cb -0.10 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2jye s VAL 4 CO -0.19 0.36 0.01 -0.75 0.00 0.00 0.00 175.10 174.53 2jye s LYS 5 N -1.61 0.46 0.02 2.72 2.20 -1.26 -1.92 119.74 120.36 2jye s LYS 5 Ca 0.36 0.13 0.21 0.00 -0.36 0.00 0.00 55.97 56.31 2jye s LYS 5 Cb -0.18 -0.80 -0.23 0.00 -1.51 0.00 0.00 37.83 35.11 2jye s LYS 5 CO 0.20 -0.26 0.61 0.00 -0.36 0.00 0.00 175.35 175.54 2jye s ASP 7 N -4.94 0.32 -0.23 0.00 2.15 -1.26 -5.03 116.67 107.68 2jye s ASP 7 Ca -0.06 -1.23 -0.01 0.00 0.43 0.00 0.00 52.55 51.69 2jye s ASP 7 Cb 0.12 0.76 0.13 0.00 -0.30 0.00 0.00 42.92 43.63 2jye s ASP 7 CO 0.86 -1.49 2.12 0.80 -0.17 0.00 0.00 175.17 177.29 2jye n MET 8 N -0.53 1.63 0.00 4.34 1.56 -1.26 -3.48 117.12 119.38 2jye n MET 8 Ca -0.04 -1.17 0.00 0.00 -0.27 0.00 0.00 57.70 56.22 2jye n MET 8 Cb 0.61 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.48 2jye n MET 8 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2jye n GLU 9 N 0.77 0.00 -3.65 2.12 0.28 -1.26 -5.14 120.64 113.77 2jye n GLU 9 Ca 0.24 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.98 2jye n GLU 9 Cb 0.57 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.41 2jye n GLU 9 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jye s VAL 10 N -0.20 5.18 -0.41 3.84 0.11 -1.23 -5.06 120.40 122.64 2jye s VAL 10 Ca 0.00 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 2jye s VAL 10 Cb 0.00 -3.78 0.17 0.00 -1.53 0.00 0.00 36.38 31.23 2jye s VAL 10 CO 0.00 -0.29 0.44 -0.94 -3.33 0.00 0.00 175.10 170.97 2jye s SER 11 N -3.49 0.69 -0.61 3.54 1.04 -1.26 -4.59 113.70 109.02 2jye s SER 11 Ca 0.38 -1.93 -0.15 0.00 0.48 0.00 0.00 55.95 54.73 2jye s SER 11 Cb -0.10 0.61 0.15 0.00 0.10 0.00 0.00 66.02 66.78 2jye s SER 11 CO 0.31 -0.20 0.56 0.00 0.98 0.00 0.00 173.24 174.89 2jye n PRO 13 N 4.92 0.43 -1.66 0.00 -0.04 -1.26 -1.50 135.00 135.89 2jye n PRO 13 Ca -0.07 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.86 2jye n PRO 13 Cb 0.42 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.52 2.35 0.00 3.54 8.00 -1.26 -0.78 116.55 126.88 2jye n ASP 14 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 2jye n ASP 14 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.88 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jye n GLY 15 N 3.56 0.75 3.45 0.44 0.00 -1.26 -5.06 105.19 107.07 2jye n GLY 15 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.60 2.32 0.11 1.61 1.51 0.04 -2.68 117.35 117.66 2jye s TYR 16 Ca 0.00 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 2jye s TYR 16 Cb 0.00 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2jye s TYR 16 CO 0.00 0.58 -0.14 -0.08 -1.11 0.00 0.00 175.55 174.79 2jye s THR 17 N -1.96 1.29 -0.23 -0.71 -1.32 0.31 -4.73 115.64 108.29 2jye s THR 17 Ca 0.24 -1.64 -0.08 0.00 -1.21 0.00 0.00 61.69 59.00 2jye s THR 17 Cb -0.07 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.44 2jye s THR 17 CO 0.12 -0.38 0.09 0.00 -2.21 0.00 0.00 174.62 172.24 2jye s ARG 20 N 0.83 1.89 0.00 0.00 1.81 -1.26 -0.32 118.95 121.89 2jye s ARG 20 Ca -0.07 1.76 0.00 0.00 -1.72 0.00 0.00 55.73 55.70 2jye s ARG 20 Cb -0.09 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.60 2jye s ARG 20 CO -0.03 -2.03 0.00 1.28 -0.68 0.00 0.00 175.30 173.84 2jye n LEU 21 N -3.01 0.00 -1.93 2.53 4.77 -1.18 -4.82 117.00 113.36 2jye n LEU 21 Ca 0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 2jye n LEU 21 Cb 0.50 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 2jye n LEU 21 CO 0.48 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.61 2jye n GLN 22 N 0.00 2.48 -0.66 3.23 0.00 -1.26 -4.84 117.38 116.33 2jye n GLN 22 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 57.00 54.51 2jye n GLN 22 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 30.24 28.24 2jye n GLN 22 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jye n SER 23 N -0.56 -0.09 0.08 2.61 7.64 -1.26 -4.78 113.62 117.26 2jye n SER 23 Ca 0.44 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.24 2jye n SER 23 Cb 1.38 -1.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.79 2jye n SER 23 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jye h GLY 24 N 0.00 0.07 -2.14 0.23 0.00 -2.00 -3.48 103.07 95.75 2jye h GLY 24 Ca 0.00 -0.16 0.35 0.00 0.00 0.00 0.00 47.33 47.52 2jye h GLY 24 CO 0.00 0.14 0.90 0.00 0.00 0.00 0.00 176.54 177.58 2jye s ALA 25 N -2.95 -2.45 0.44 3.60 0.00 -1.26 -5.11 121.76 114.04 2jye s ALA 25 Ca -0.01 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 2jye s ALA 25 Cb 0.10 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.95 2jye s ALA 25 CO 0.82 -1.13 0.70 -1.58 0.00 0.00 0.00 175.76 174.57 2jye s TRP 26 N -2.10 3.42 0.10 0.00 0.52 -1.26 -3.09 118.94 116.52 2jye s TRP 26 Ca 0.26 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.95 2jye s TRP 26 Cb 0.01 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 30.07 2jye s TRP 26 CO -0.02 -0.24 -0.20 0.20 0.02 0.00 0.00 176.95 176.71 2jye s GLY 27 N -4.14 1.20 -0.32 0.98 0.00 0.56 -4.89 107.32 100.71 2jye s GLY 27 Ca 0.46 -1.23 -0.08 0.00 0.00 0.00 0.00 44.72 43.87 2jye s GLY 27 CO 0.40 -1.24 0.13 0.00 0.00 0.00 0.00 173.10 172.39 2jye n PRO 30 N 3.94 0.63 -1.54 0.00 -0.04 -1.26 -0.53 135.00 136.21 2jye n PRO 30 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2jye n PRO 30 Cb 0.52 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.74 2jye n PRO 30 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jye n PHE 31 N 1.14 -4.18 -1.52 0.54 -0.00 -1.09 -4.78 117.46 107.57 2jye n PHE 31 Ca 0.00 2.29 -0.01 0.00 -0.00 0.00 0.00 57.45 59.73 2jye n PHE 31 Cb 0.31 -3.66 -0.01 0.00 -0.00 0.00 0.00 39.48 36.13 2jye n PHE 31 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2jye n THR 32 N -3.60 0.00 -0.70 -2.13 -2.24 -1.26 -4.91 114.28 99.43 2jye n THR 32 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2jye n THR 32 Cb 0.61 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2jye n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jye n GLN 33 N 0.00 -0.49 -3.84 -0.78 6.02 -1.26 -4.80 117.38 112.23 2jye n GLN 33 Ca -0.04 0.12 0.04 0.00 -0.01 0.00 0.00 57.00 57.11 2jye n GLN 33 Cb 0.29 -4.33 0.01 0.00 1.02 0.00 0.00 30.24 27.23 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jye s ALA 34 N -1.38 -2.60 0.47 -1.58 0.00 -1.26 -5.17 121.76 110.24 2jye s ALA 34 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2jye s ALA 34 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 2jye s ALA 34 CO 0.00 -1.13 0.00 0.28 0.00 0.00 0.00 175.76 174.91 2jye n VAL 35 N -0.77 -1.51 -1.94 0.00 0.31 -1.26 -4.95 118.33 108.21 2jye n VAL 35 Ca -0.01 0.94 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 2jye n VAL 35 Cb 0.60 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 1.53 0.53 -0.62 0.00 1.03 -1.26 -4.71 118.70 115.20 2jye s GLU 38 Ca 0.03 0.63 0.06 0.00 0.03 0.00 0.00 54.97 55.72 2jye s GLU 38 Cb -0.23 0.26 0.21 0.00 -0.80 0.00 0.00 34.13 33.57 2jye s GLU 38 CO 0.05 -0.06 0.58 -0.40 -1.33 0.00 0.00 175.26 174.09 2jye n ASP 39 N 2.26 2.65 -2.35 0.83 5.68 -1.26 -4.81 116.55 119.56 2jye n ASP 39 Ca -0.13 -3.16 -0.11 0.00 -0.50 0.00 0.00 54.79 50.90 2jye n ASP 39 Cb 0.56 -0.69 0.05 0.00 -1.14 0.00 0.00 41.12 39.89 2jye n ASP 39 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2jye n HIS 40 N 1.59 -1.37 -1.97 2.11 -0.00 -1.26 -4.93 115.22 109.38 2jye n HIS 40 Ca 0.25 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.52 2jye n HIS 40 Cb 0.40 -3.62 0.00 0.00 -0.00 0.00 0.00 29.99 26.78 2jye n HIS 40 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2jye n ILE 41 N -3.14 0.00 -1.00 3.57 3.06 -1.26 -5.15 119.36 115.44 2jye n ILE 41 Ca -0.11 0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.21 2jye n ILE 41 Cb 0.58 0.14 -0.04 0.00 0.54 0.00 0.00 39.64 40.86 2jye n ILE 41 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2jye n HIS 42 N 0.00 -2.71 -1.39 9.51 8.25 -1.26 -4.43 115.22 123.19 2jye n HIS 42 Ca 0.00 1.48 -0.29 0.00 -0.26 0.00 0.00 57.72 58.65 2jye n HIS 42 Cb 0.55 -2.45 -0.07 0.00 1.12 0.00 0.00 29.99 29.14 2jye n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jye n PRO 45 N 0.10 1.93 -1.49 0.00 -0.04 -1.26 -4.75 135.00 129.50 2jye n PRO 45 Ca 0.03 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 2jye n PRO 45 Cb 0.42 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 2jye n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jye n ALA 46 N 6.87 -1.88 0.00 0.55 0.00 -1.26 -4.75 120.51 120.04 2jye n ALA 46 Ca 0.50 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.40 2jye n ALA 46 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.17 2.94 3.08 0.00 0.00 -1.26 -4.95 105.19 102.83 2jye n GLY 47 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2jye n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jye n PHE 48 N -1.28 0.87 -3.58 1.61 3.72 -1.26 -4.16 117.46 113.39 2jye n PHE 48 Ca 0.00 -2.11 -0.08 0.00 -0.05 0.00 0.00 57.45 55.21 2jye n PHE 48 Cb 0.00 -0.29 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 2jye n PHE 48 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2jye s THR 49 N -2.53 0.00 -0.39 4.37 -1.32 -0.95 -4.84 115.64 109.98 2jye s THR 49 Ca 0.02 -0.27 -0.26 0.00 -1.21 0.00 0.00 61.69 59.97 2jye s THR 49 Cb -0.00 -1.34 0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2jye s THR 49 CO 0.01 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.36 2jye n ASP 51 N 6.92 1.38 -0.89 0.00 8.00 -0.62 -4.72 116.55 126.62 2jye n ASP 51 Ca 0.07 -1.90 -0.12 0.00 0.71 0.00 0.00 54.79 53.56 2jye n ASP 51 Cb 0.48 0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.90 2jye n ASP 51 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2jye n THR 52 N -0.41 0.00 -0.96 -3.53 -2.24 -1.26 -2.28 114.28 103.60 2jye n THR 52 Ca -0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2jye n THR 52 Cb 0.25 -1.41 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 2jye n THR 52 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2jye n GLN 53 N -1.78 -1.88 -0.00 -0.78 -0.06 -1.26 -4.54 117.38 107.08 2jye n GLN 53 Ca -0.12 0.53 0.03 0.00 -2.00 0.00 0.00 57.00 55.45 2jye n GLN 53 Cb 0.49 -4.73 -0.04 0.00 -4.06 0.00 0.00 30.24 21.91 2jye n GLN 53 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2jye n LYS 54 N 0.27 4.52 -1.72 3.69 4.76 -1.06 -5.01 118.16 123.61 2jye n LYS 54 Ca -0.03 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2jye n LYS 54 Cb 0.45 -0.84 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 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 1.21 0.89 3.62 0.72 0.00 -1.00 -4.91 105.19 105.71 2jye n GLY 55 Ca 0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 2jye n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jye s THR 56 N -2.43 4.74 -0.49 2.61 2.01 -0.96 -4.38 115.64 116.73 2jye s THR 56 Ca 0.00 1.26 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 2jye s THR 56 Cb 0.00 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.34 2jye s THR 56 CO 0.00 -0.31 1.01 0.00 -0.69 0.00 0.00 174.62 174.64 2jye s GLU 58 N 4.09 0.60 0.00 0.00 -1.05 -0.96 -4.77 118.70 116.61 2jye s GLU 58 Ca 0.40 -1.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 2jye s GLU 58 Cb -0.09 -0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.59 2jye s GLU 58 CO 0.27 -0.05 1.31 0.94 0.95 0.00 0.00 175.26 178.68 2jye n GLN 59 N 0.55 0.76 -3.53 -4.83 7.27 -1.26 -2.24 117.38 114.10 2jye n GLN 59 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 2jye n GLN 59 Cb 0.59 -1.12 0.00 0.00 2.41 0.00 0.00 30.24 32.12 2jye n GLN 59 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2jye n LYS 60 N 1.33 -1.50 -5.04 3.69 2.85 -1.26 -4.94 118.16 113.29 2jye n LYS 60 Ca 0.00 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.94 2jye n LYS 60 Cb 0.38 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.60 2jye n LYS 60 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jye s LEU 61 N 0.00 2.22 0.00 -5.58 1.02 -1.26 -4.75 118.68 110.33 2jye s LEU 61 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.63 2jye s LEU 61 Cb 0.00 -1.46 0.00 0.00 0.02 0.00 0.00 46.19 44.75 2jye s LEU 61 CO 0.00 0.15 0.00 0.00 0.02 0.00 0.00 176.35 176.52 2jye n ALA 62 N 3.61 2.02 -1.15 4.21 0.00 -1.26 -5.13 120.51 122.82 2jye n ALA 62 Ca -0.19 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2jye n ALA 62 Cb 0.53 0.46 -0.06 0.00 0.00 0.00 0.00 19.45 20.37 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 -2.43 -2.77 -1.86 0.00 0.00 -1.26 -4.82 120.51 107.36 2jye n ALA 63 Ca 0.00 0.69 -0.20 0.00 0.00 0.00 0.00 53.44 53.93 2jye n ALA 63 Cb 0.46 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 2jye n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jye n ALA 64 N -3.61 -0.41 -1.27 0.00 0.00 -1.26 -4.92 120.51 109.04 2jye n ALA 64 Ca -0.06 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 2jye n ALA 64 Cb 0.52 -2.05 0.10 0.00 0.00 0.00 0.00 19.45 18.02 2jye n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jye n LEU 65 N -2.50 3.94 0.00 0.00 7.99 -1.26 -5.00 117.00 120.16 2jye n LEU 65 Ca -0.21 0.64 -0.13 0.00 -0.01 0.00 0.00 56.01 56.29 2jye n LEU 65 Cb 0.67 -1.45 0.11 0.00 -0.11 0.00 0.00 43.42 42.64 2jye n LEU 65 CO 0.30 -1.88 0.26 -0.62 -1.51 0.00 0.00 177.39 173.94 2jye n GLU 66 N -2.41 -2.03 0.00 3.23 1.02 -1.26 -5.05 120.64 114.14 2jye n GLU 66 Ca 0.13 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 2jye n GLU 66 Cb 0.50 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 2jye n GLU 66 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jye n HIS 67 N -3.58 -2.56 -2.13 -0.32 8.25 -1.26 -5.03 115.22 108.59 2jye n HIS 67 Ca 0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 2jye n HIS 67 Cb 0.26 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.36 2jye n HIS 67 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jye s HIS 68 N -0.73 3.55 -0.73 4.41 -3.43 -1.26 -5.03 115.29 112.07 2jye s HIS 68 Ca 0.00 1.34 0.01 0.00 -0.80 0.00 0.00 55.06 55.61 2jye s HIS 68 Cb 0.00 -2.73 0.18 0.00 -1.43 0.00 0.00 32.58 28.60 2jye s HIS 68 CO 0.00 -0.53 0.55 -1.01 -2.00 0.00 0.00 174.74 171.75 2jye s HIS 69 N -2.92 3.59 -0.88 0.38 0.09 -1.26 -4.98 115.29 109.31 2jye s HIS 69 Ca 0.56 -3.09 -0.01 0.00 -0.00 0.00 0.00 55.06 52.53 2jye s HIS 69 Cb -0.11 -3.01 0.24 0.00 -0.00 0.00 0.00 32.58 29.71 2jye s HIS 69 CO 0.44 -0.70 0.88 1.58 -0.00 0.00 0.00 174.74 176.94 2jye n HIS 70 N 2.56 3.82 0.15 1.40 -0.00 -1.26 -4.85 115.22 117.04 2jye n HIS 70 Ca 0.16 -3.91 0.03 0.00 0.46 0.00 0.00 57.72 54.46 2jye n HIS 70 Cb 0.36 -1.05 0.18 0.00 -0.12 0.00 0.00 29.99 29.36 2jye n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jye n HIS 71 N 1.88 0.95 0.48 1.57 -0.00 -1.26 -5.31 115.22 113.53 2jye n HIS 71 Ca 0.24 -0.34 0.06 0.00 0.46 0.00 0.00 57.72 58.14 2jye n HIS 71 Cb 0.37 -0.29 0.05 0.00 -0.12 0.00 0.00 29.99 30.00 2jye n HIS 71 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38