#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 2.46 -4.28 0.00 2.81 -1.26 -5.12 117.12 111.73 2jye n MET 2 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 2jye n MET 2 Cb 0.00 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.43 2jye n MET 2 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2jye s ASP 3 N -0.54 4.26 -0.04 7.83 1.01 -1.26 -4.48 116.67 123.45 2jye s ASP 3 Ca 0.00 -1.05 0.04 0.00 0.71 0.00 0.00 52.55 52.24 2jye s ASP 3 Cb 0.00 -0.51 0.00 0.00 1.01 0.00 0.00 42.92 43.42 2jye s ASP 3 CO 0.00 -0.37 -0.15 -0.69 0.21 0.00 0.00 175.17 174.17 2jye s VAL 4 N -2.56 1.25 0.00 -1.27 1.01 -0.66 -4.99 120.40 113.18 2jye s VAL 4 Ca 0.37 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.74 2jye s VAL 4 Cb 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2jye s VAL 4 CO 0.20 0.37 0.00 0.29 0.00 0.00 0.00 175.10 175.96 2jye n LYS 5 N 3.27 3.32 0.09 2.72 4.01 -1.26 0.01 118.16 130.32 2jye n LYS 5 Ca -0.19 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.61 2jye n LYS 5 Cb 0.53 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.05 2jye n LYS 5 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jye n ASP 7 N -2.91 2.62 -3.19 0.00 2.03 -1.26 -4.93 116.55 108.91 2jye n ASP 7 Ca 0.00 -3.80 -0.23 0.00 0.52 0.00 0.00 54.79 51.28 2jye n ASP 7 Cb 0.00 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 39.78 2jye n ASP 7 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2jye n MET 8 N -1.11 -4.07 0.00 -0.67 2.81 -1.26 -4.75 117.12 108.07 2jye n MET 8 Ca 0.34 0.67 0.00 0.00 -1.81 0.00 0.00 57.70 56.91 2jye n MET 8 Cb 1.02 -5.45 0.00 0.00 -0.71 0.00 0.00 33.22 28.08 2jye n MET 8 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2jye n GLU 9 N -3.85 0.00 -3.05 0.03 4.71 -1.26 -5.10 120.64 112.12 2jye n GLU 9 Ca -0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.81 2jye n GLU 9 Cb 0.58 -0.20 -0.02 0.00 -1.01 0.00 0.00 31.44 30.78 2jye n GLU 9 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2jye s VAL 10 N -1.83 4.94 -0.46 2.62 0.11 -1.26 -5.07 120.40 119.45 2jye s VAL 10 Ca 0.00 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 2jye s VAL 10 Cb 0.00 -3.78 0.14 0.00 -1.53 0.00 0.00 36.38 31.22 2jye s VAL 10 CO 0.00 -0.52 0.27 -0.44 -3.33 0.00 0.00 175.10 171.08 2jye s SER 11 N -3.46 3.54 -0.58 3.54 0.01 -1.26 -4.32 113.70 111.17 2jye s SER 11 Ca 0.46 -2.77 -0.19 0.00 1.31 0.00 0.00 55.95 54.77 2jye s SER 11 Cb -0.10 -1.02 0.10 0.00 0.21 0.00 0.00 66.02 65.21 2jye s SER 11 CO 0.34 -0.24 0.68 0.00 0.41 0.00 0.00 173.24 174.43 2jye n PRO 13 N 6.21 2.13 -1.67 0.00 -0.04 -1.26 -1.66 135.00 138.71 2jye n PRO 13 Ca -0.10 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.88 2jye n PRO 13 Cb 0.42 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 2jye n PRO 13 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jye n ASP 14 N 0.00 3.20 0.00 3.54 5.75 -1.26 -0.89 116.55 126.89 2jye n ASP 14 Ca 0.00 1.02 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 2jye n ASP 14 Cb 0.00 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 38.72 2jye n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jye n GLY 15 N 3.97 3.23 3.89 6.12 0.00 -1.26 -5.02 105.19 116.13 2jye n GLY 15 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.98 3.46 0.14 1.61 1.51 -0.06 -1.10 117.35 120.93 2jye s TYR 16 Ca 0.00 0.67 0.05 0.00 -1.01 0.00 0.00 57.07 56.78 2jye s TYR 16 Cb 0.00 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2jye s TYR 16 CO 0.00 0.31 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.56 2jye s THR 17 N -1.83 1.24 -0.32 -0.71 -1.32 0.64 -4.57 115.64 108.77 2jye s THR 17 Ca 0.44 -1.98 -0.10 0.00 -1.21 0.00 0.00 61.69 58.85 2jye s THR 17 Cb -0.11 -1.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.11 2jye s THR 17 CO 0.25 -0.65 0.15 0.00 -2.21 0.00 0.00 174.62 172.16 2jye n ARG 20 N 4.19 1.47 -0.06 0.00 5.12 -1.26 -0.45 116.66 125.67 2jye n ARG 20 Ca -0.21 0.53 0.03 0.00 -1.93 0.00 0.00 57.85 56.26 2jye n ARG 20 Cb 0.51 -2.11 0.06 0.00 -1.16 0.00 0.00 32.46 29.76 2jye n ARG 20 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jye n LEU 21 N 0.45 2.13 0.00 0.55 4.77 -0.82 -4.79 117.00 119.29 2jye n LEU 21 Ca 0.09 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.36 2jye n LEU 21 Cb 0.39 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2jye n LEU 21 CO 0.57 0.52 0.00 0.00 -1.33 0.00 0.00 177.39 177.15 2jye n GLN 22 N 0.06 0.00 0.00 3.23 3.00 -1.26 -4.74 117.38 117.67 2jye n GLN 22 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2jye n GLN 22 Cb 0.27 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.19 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 0.00 1.58 -0.07 1.08 7.64 -1.26 -4.66 113.62 117.93 2jye n SER 23 Ca 0.00 -1.35 -0.01 0.00 1.01 0.00 0.00 58.87 58.52 2jye n SER 23 Cb 0.00 -0.34 -0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2jye n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jye n GLY 24 N 0.50 0.33 3.35 0.23 0.00 -1.26 -4.95 105.19 103.38 2jye n GLY 24 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2jye n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jye s ALA 25 N -1.58 1.50 0.34 4.61 0.00 -1.26 -5.08 121.76 120.28 2jye s ALA 25 Ca 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 51.96 50.14 2jye s ALA 25 Cb 0.00 1.37 -0.03 0.00 0.00 0.00 0.00 23.12 24.46 2jye s ALA 25 CO 0.00 -0.70 0.25 -1.58 0.00 0.00 0.00 175.76 173.73 2jye s TRP 26 N -3.32 2.85 0.15 0.00 0.52 -1.26 -1.94 118.94 115.94 2jye s TRP 26 Ca 0.37 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 56.25 2jye s TRP 26 Cb 0.02 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 2jye s TRP 26 CO 0.25 0.22 -0.17 0.20 0.02 0.00 0.00 176.95 177.48 2jye s GLY 27 N -3.96 1.29 -0.26 0.98 0.00 0.40 -4.81 107.32 100.96 2jye s GLY 27 Ca 0.40 -1.43 -0.08 0.00 0.00 0.00 0.00 44.72 43.61 2jye s GLY 27 CO 0.26 -1.49 0.09 0.00 0.00 0.00 0.00 173.10 171.96 2jye n PRO 30 N 4.75 3.93 -0.30 0.00 -0.04 -1.25 -0.26 135.00 141.83 2jye n PRO 30 Ca -0.14 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.44 2jye n PRO 30 Cb 0.45 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 2jye n PRO 30 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2jye n PHE 31 N 3.22 -0.12 -2.86 0.54 -1.74 -0.26 -4.84 117.46 111.39 2jye n PHE 31 Ca 0.65 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 57.28 2jye n PHE 31 Cb 0.27 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.24 2jye n PHE 31 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2jye n THR 32 N -0.04 2.54 -1.59 1.97 -2.24 -1.26 -4.65 114.28 109.00 2jye n THR 32 Ca 0.00 -5.27 0.00 0.00 -2.27 0.00 0.00 64.05 56.51 2jye n THR 32 Cb 0.00 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 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 -0.24 -4.28 0.00 -0.78 1.13 -1.26 -5.11 117.38 106.85 2jye n GLN 33 Ca 0.31 3.10 0.00 0.00 -1.94 0.00 0.00 57.00 58.48 2jye n GLN 33 Cb 0.49 -3.33 0.00 0.00 0.11 0.00 0.00 30.24 27.50 2jye n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jye n ALA 34 N 0.81 0.00 -2.50 -1.58 0.00 -1.24 -5.03 120.51 110.96 2jye n ALA 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jye n ALA 34 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2jye n ALA 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jye s VAL 35 N -1.17 2.59 -1.40 0.00 1.01 -0.32 -4.25 120.40 116.86 2jye s VAL 35 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2jye s VAL 35 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2jye s VAL 35 CO 0.00 0.58 0.41 0.00 0.00 0.00 0.00 175.10 176.09 2jye n GLU 38 N -3.50 0.00 -3.41 0.00 -0.58 -1.26 -4.68 120.64 107.21 2jye n GLU 38 Ca 0.07 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.62 2jye n GLU 38 Cb 0.55 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.32 2jye n GLU 38 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jye s ASP 39 N -4.00 1.85 0.00 1.62 -1.08 -1.26 -4.95 116.67 108.86 2jye s ASP 39 Ca 0.00 -1.26 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 2jye s ASP 39 Cb 0.00 0.33 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 2jye s ASP 39 CO 0.00 -0.34 0.00 1.57 0.52 0.00 0.00 175.17 176.92 2jye n HIS 40 N 4.80 -2.04 0.00 -5.34 -0.00 -1.26 -5.03 115.22 106.35 2jye n HIS 40 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2jye n HIS 40 Cb 0.44 0.41 0.00 0.00 -0.12 0.00 0.00 29.99 30.72 2jye n HIS 40 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2jye n ILE 41 N -2.32 0.00 -0.75 3.57 0.00 -1.26 -5.15 119.36 113.45 2jye n ILE 41 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 62.75 62.43 2jye n ILE 41 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 39.64 39.78 2jye n ILE 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2jye n HIS 42 N -0.21 -0.97 -3.77 9.51 8.25 -1.26 -4.87 115.22 121.89 2jye n HIS 42 Ca 0.00 0.24 -0.03 0.00 -0.26 0.00 0.00 57.72 57.67 2jye n HIS 42 Cb 0.00 -1.80 -0.01 0.00 1.12 0.00 0.00 29.99 29.30 2jye n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jye s PRO 45 N 0.47 1.68 1.45 0.00 0.04 -1.26 -4.28 135.00 133.10 2jye s PRO 45 Ca -0.05 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2jye s PRO 45 Cb -0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2jye s PRO 45 CO -0.01 -2.01 0.00 0.00 0.04 0.00 0.00 177.00 175.02 2jye n ALA 46 N -3.76 -0.24 -1.08 8.56 0.00 -1.25 -3.22 120.51 119.53 2jye n ALA 46 Ca 0.08 0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 2jye n ALA 46 Cb 0.54 -0.08 -0.15 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.24 3.22 3.80 0.00 0.00 -1.26 -4.73 105.19 105.98 2jye n GLY 47 Ca 0.00 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 0.72 3.74 0.23 1.61 0.08 -1.20 -1.45 117.98 121.72 2jye s PHE 48 Ca 0.66 1.15 0.03 0.00 0.12 0.00 0.00 56.93 58.90 2jye s PHE 48 Cb 0.32 -2.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.26 2jye s PHE 48 CO -0.03 0.54 -0.00 0.99 -0.10 0.00 0.00 175.22 176.62 2jye s THR 49 N -0.83 1.01 -0.00 0.64 2.01 -0.33 -4.78 115.64 113.36 2jye s THR 49 Ca 0.27 -2.03 -0.27 0.00 0.31 0.00 0.00 61.69 59.98 2jye s THR 49 Cb -0.18 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2jye s THR 49 CO 0.16 -0.33 0.84 0.00 -0.69 0.00 0.00 174.62 174.60 2jye s ASP 51 N 0.60 3.83 -0.92 0.00 1.11 0.13 -4.65 116.67 116.78 2jye s ASP 51 Ca 0.44 -1.47 0.00 0.00 0.18 0.00 0.00 52.55 51.70 2jye s ASP 51 Cb -0.20 -0.06 0.00 0.00 1.07 0.00 0.00 42.92 43.73 2jye s ASP 51 CO 0.24 -0.60 0.00 0.41 1.18 0.00 0.00 175.17 176.40 2jye n THR 52 N -1.04 0.00 -0.87 -1.27 -1.04 -1.24 -2.11 114.28 106.70 2jye n THR 52 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2jye n THR 52 Cb 0.67 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 2jye n THR 52 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2jye n GLN 53 N -0.63 -1.49 -0.01 -2.82 0.00 -1.26 -4.74 117.38 106.43 2jye n GLN 53 Ca -0.09 0.37 -0.01 0.00 -0.00 0.00 0.00 57.00 57.27 2jye n GLN 53 Cb 0.55 -4.86 -0.00 0.00 0.00 0.00 0.00 30.24 25.93 2jye n GLN 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 2jye n LYS 54 N 0.23 0.08 0.00 3.69 4.81 -0.90 -4.94 118.16 121.13 2jye n LYS 54 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jye n LYS 54 Cb 0.37 -0.54 0.00 0.00 0.02 0.00 0.00 35.03 34.88 2jye n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jye n GLY 55 N 1.94 0.00 3.52 3.14 0.00 -1.09 -4.94 105.19 107.75 2jye n GLY 55 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.23 -0.36 2.61 2.01 -0.97 -4.72 115.64 118.44 2jye s THR 56 Ca 0.00 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 2jye s THR 56 Cb 0.00 -4.64 0.01 0.00 0.01 0.00 0.00 72.50 67.88 2jye s THR 56 CO 0.00 -1.31 0.95 0.00 -0.69 0.00 0.00 174.62 173.57 2jye s GLU 58 N 3.49 1.52 -0.60 0.00 -1.05 -0.80 -4.81 118.70 116.45 2jye s GLU 58 Ca 0.39 -1.26 -0.26 0.00 -0.15 0.00 0.00 54.97 53.69 2jye s GLU 58 Cb -0.12 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 2jye s GLU 58 CO 0.18 -0.63 2.46 1.04 0.95 0.00 0.00 175.26 179.26 2jye n GLN 59 N -0.37 0.83 0.00 -4.83 3.00 -1.26 -1.18 117.38 113.56 2jye n GLN 59 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2jye n GLN 59 Cb 0.62 -3.16 0.00 0.00 0.00 0.00 0.00 30.24 27.70 2jye n GLN 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2jye n LYS 60 N 8.86 0.00 -1.07 -1.09 4.76 -0.53 -4.95 118.16 124.14 2jye n LYS 60 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2jye n LYS 60 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 2jye n LYS 60 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2jye n LEU 61 N 0.00 -1.32 0.15 -0.35 7.99 -1.26 -4.57 117.00 117.64 2jye n LEU 61 Ca 0.00 1.98 0.00 0.00 -0.01 0.00 0.00 56.01 57.98 2jye n LEU 61 Cb 0.00 -1.79 0.00 0.00 -0.11 0.00 0.00 43.42 41.52 2jye n LEU 61 CO 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 177.39 175.55 2jye n ALA 62 N -1.91 0.93 -0.94 -1.18 0.00 -1.26 -4.63 120.51 111.52 2jye n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jye n ALA 62 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -3.19 0.00 -0.21 0.00 0.00 -1.26 -3.49 120.51 112.36 2jye n ALA 63 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2jye n ALA 63 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.94 0.65 -2.91 0.00 0.00 -1.95 -3.41 119.26 110.70 2jye h ALA 64 Ca 0.00 0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 2jye h ALA 64 Cb 0.00 0.29 0.09 0.00 0.00 0.00 0.00 17.79 18.17 2jye h ALA 64 CO 0.00 -0.38 0.69 -1.17 0.00 0.00 0.00 179.25 178.39 2jye s LEU 65 N -10.64 4.32 0.00 0.00 0.20 -1.23 -4.74 118.68 106.59 2jye s LEU 65 Ca -0.13 2.83 0.00 0.00 0.69 0.00 0.00 54.13 57.52 2jye s LEU 65 Cb 0.19 -3.73 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2jye s LEU 65 CO 0.74 -0.77 0.00 -1.84 -0.29 0.00 0.00 176.35 174.19 2jye n GLU 66 N 0.46 2.21 0.00 1.98 0.00 -1.26 -4.95 120.64 119.08 2jye n GLU 66 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2jye n GLU 66 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.85 2jye n GLU 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jye n HIS 67 N -0.29 0.00 0.07 -1.84 -0.00 -1.26 -5.02 115.22 106.88 2jye n HIS 67 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jye n HIS 67 Cb 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 2jye n HIS 67 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jye n HIS 68 N -0.96 -0.97 -3.65 1.57 -0.00 -1.26 -5.06 115.22 104.89 2jye n HIS 68 Ca 0.00 0.17 -0.27 0.00 -0.00 0.00 0.00 57.72 57.62 2jye n HIS 68 Cb 0.00 0.35 -0.16 0.00 -0.00 0.00 0.00 29.99 30.18 2jye n HIS 68 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jye s HIS 69 N -2.00 0.58 0.00 1.57 -3.43 -1.26 -5.09 115.29 105.65 2jye s HIS 69 Ca 0.00 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 2jye s HIS 69 Cb 0.00 -0.89 0.00 0.00 -1.43 0.00 0.00 32.58 30.26 2jye s HIS 69 CO 0.00 -0.61 0.00 1.58 -2.00 0.00 0.00 174.74 173.71 2jye n HIS 70 N 5.17 0.00 0.01 0.38 -0.00 -1.26 -5.04 115.22 114.49 2jye n HIS 70 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 2jye n HIS 70 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 2jye n HIS 70 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jye n HIS 71 N 0.00 -0.18 -1.65 1.57 8.25 -1.26 -5.17 115.22 116.79 2jye n HIS 71 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2jye n HIS 71 Cb 0.00 0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2jye n HIS 71 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56