#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jex s LYS 5 N 0.00 4.34 -0.88 5.55 2.47 -1.26 -4.98 119.74 124.98 1jex s LYS 5 Ca 0.00 0.78 -0.19 0.00 -1.56 0.00 0.00 55.97 55.00 1jex s LYS 5 Cb 0.00 -3.34 0.13 0.00 -1.46 0.00 0.00 37.83 33.15 1jex s LYS 5 CO 0.00 0.36 1.07 0.71 0.16 0.00 0.00 175.35 177.65 1jex s TYR 6 N -0.17 3.10 -0.19 4.03 2.02 -1.26 -4.42 117.35 120.46 1jex s TYR 6 Ca 0.32 -1.32 -0.09 0.00 -0.37 0.00 0.00 57.07 55.61 1jex s TYR 6 Cb -0.19 -4.25 -0.05 0.00 -0.40 0.00 0.00 41.96 37.08 1jex s TYR 6 CO 0.18 -1.47 0.10 1.52 -1.57 0.00 0.00 175.55 174.31 1jex s TYR 7 N 2.68 3.32 0.66 2.71 -0.85 -1.26 -4.21 117.35 120.41 1jex s TYR 7 Ca 0.30 0.19 -0.11 0.00 -0.52 0.00 0.00 57.07 56.92 1jex s TYR 7 Cb -0.07 -2.12 -0.01 0.00 0.38 0.00 0.00 41.96 40.13 1jex s TYR 7 CO -0.07 0.21 1.06 0.95 -1.52 0.00 0.00 175.55 176.17 1jex s THR 8 N 0.40 4.19 0.55 -3.49 -4.23 -1.26 -1.43 115.64 110.37 1jex s THR 8 Ca 0.05 0.71 0.50 0.00 -1.18 0.00 0.00 61.69 61.77 1jex s THR 8 Cb -0.12 -3.65 0.73 0.00 1.34 0.00 0.00 72.50 70.81 1jex s THR 8 CO -0.01 -0.93 1.56 0.18 -0.54 0.00 0.00 174.62 174.89 1jex n LEU 9 N -2.92 0.01 0.05 4.79 4.32 -1.26 0.20 117.00 122.20 1jex n LEU 9 Ca 0.07 1.02 0.20 0.00 -0.02 0.00 0.00 56.01 57.27 1jex n LEU 9 Cb 0.55 -0.51 0.58 0.00 -1.62 0.00 0.00 43.42 42.42 1jex n LEU 9 CO 0.57 -1.02 1.18 -0.08 -1.22 0.00 0.00 177.39 176.82 1jex h GLU 10 N 0.00 0.00 0.00 3.23 4.81 -1.98 1.60 114.58 122.24 1jex h GLU 10 Ca 0.94 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 60.04 1jex h GLU 10 Cb 3.75 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 33.11 1jex h GLU 10 CO -0.04 0.00 -1.39 0.39 -0.73 0.00 0.00 179.01 177.24 1jex n GLU 11 N -3.31 0.54 -0.14 1.92 -0.58 0.54 -4.14 120.64 115.47 1jex n GLU 11 Ca 0.10 0.26 0.21 0.00 -0.42 0.00 0.00 57.16 57.32 1jex n GLU 11 Cb 0.92 -1.48 0.61 0.00 -0.57 0.00 0.00 31.44 30.92 1jex n GLU 11 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1jex h ILE 12 N -1.00 0.69 -0.44 -3.67 5.03 -1.33 0.16 117.51 116.95 1jex h ILE 12 Ca -0.20 -0.07 0.01 0.00 -0.12 0.00 0.00 64.86 64.48 1jex h ILE 12 Cb 1.14 0.47 -0.02 0.00 -3.03 0.00 0.00 36.82 35.38 1jex h ILE 12 CO -0.12 0.04 0.28 1.56 -0.68 0.00 0.00 178.15 179.22 1jex h GLN 13 N 0.20 0.55 0.00 2.37 1.08 0.21 0.13 115.11 119.65 1jex h GLN 13 Ca 0.38 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1jex h GLN 13 Cb 1.19 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.50 1jex h GLN 13 CO -0.07 0.37 0.00 1.17 -0.95 0.00 0.00 178.83 179.34 1jex n LYS 14 N -4.80 0.37 -1.69 1.46 0.00 0.50 -2.89 118.16 111.11 1jex n LYS 14 Ca 0.02 0.07 -0.34 0.00 0.00 0.00 0.00 58.31 58.06 1jex n LYS 14 Cb 0.04 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 33.62 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jex n HIS 15 N -1.23 3.11 -2.46 5.64 8.25 0.44 -4.68 115.22 124.29 1jex n HIS 15 Ca 0.11 -2.73 -0.34 0.00 -0.26 0.00 0.00 57.72 54.51 1jex n HIS 15 Cb 0.15 -1.10 0.01 0.00 1.12 0.00 0.00 29.99 30.17 1jex n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1jex n LYS 16 N -0.75 3.66 -3.82 -0.41 4.81 -1.14 -3.53 118.16 116.99 1jex n LYS 16 Ca 0.56 -4.35 -0.12 0.00 -0.87 0.00 0.00 58.31 53.53 1jex n LYS 16 Cb 0.59 -2.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.24 1jex n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1jex s ASP 17 N -2.33 -0.11 0.32 3.14 -1.08 -1.21 -5.02 116.67 110.36 1jex s ASP 17 Ca 0.47 0.08 0.12 0.00 -0.52 0.00 0.00 52.55 52.70 1jex s ASP 17 Cb 0.34 0.32 1.01 0.00 -1.46 0.00 0.00 42.92 43.13 1jex s ASP 17 CO -0.23 -0.30 1.43 -1.54 0.52 0.00 0.00 175.17 175.06 1jex n SER 18 N 1.89 0.15 0.00 -0.34 3.41 -1.26 -0.49 113.62 116.98 1jex n SER 18 Ca -0.19 1.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 1jex n SER 18 Cb 0.57 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1jex n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jex n LYS 19 N -5.17 0.00 -3.93 4.33 0.00 -1.26 -4.21 118.16 107.91 1jex n LYS 19 Ca 0.29 0.74 -0.31 0.00 0.00 0.00 0.00 58.31 59.04 1jex n LYS 19 Cb 0.98 -1.46 -0.15 0.00 0.00 0.00 0.00 35.03 34.41 1jex n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jex s SER 20 N -2.57 4.48 -0.15 3.14 0.15 0.36 -4.85 113.70 114.25 1jex s SER 20 Ca 0.00 -2.22 0.01 0.00 0.70 0.00 0.00 55.95 54.44 1jex s SER 20 Cb 0.00 -1.44 0.02 0.00 -1.71 0.00 0.00 66.02 62.89 1jex s SER 20 CO 0.00 -0.36 -0.18 -0.89 1.20 0.00 0.00 173.24 173.01 1jex s THR 21 N 0.82 1.84 0.30 6.45 2.01 -1.03 -3.36 115.64 122.67 1jex s THR 21 Ca 0.12 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.30 1jex s THR 21 Cb -0.20 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1jex s THR 21 CO -0.10 0.51 0.02 0.79 -0.69 0.00 0.00 174.62 175.15 1jex n TRP 22 N 4.43 0.56 -3.15 4.92 8.01 -1.23 -2.87 117.44 128.12 1jex n TRP 22 Ca -0.19 -1.58 0.04 0.00 -1.31 0.00 0.00 57.50 54.45 1jex n TRP 22 Cb 0.51 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.31 29.64 1jex n TRP 22 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 1jex s VAL 23 N -2.24 -1.00 -0.02 -0.99 -7.23 -0.97 -3.99 120.40 103.97 1jex s VAL 23 Ca 0.03 -0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.91 1jex s VAL 23 Cb 0.00 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1jex s VAL 23 CO 0.02 -0.00 1.74 -0.51 -0.31 0.00 0.00 175.10 176.04 1jex s ILE 24 N 2.86 3.38 -0.04 -0.62 -1.16 -1.24 -2.81 121.20 121.56 1jex s ILE 24 Ca 0.20 0.50 -0.01 0.00 -0.51 0.00 0.00 60.65 60.83 1jex s ILE 24 Cb -0.15 -3.32 0.03 0.00 0.61 0.00 0.00 42.46 39.63 1jex s ILE 24 CO -0.21 -0.04 0.07 -1.48 -2.81 0.00 0.00 174.94 170.47 1jex s LEU 25 N 4.03 0.58 -1.35 8.50 0.05 0.17 -2.79 118.68 127.87 1jex s LEU 25 Ca 0.78 0.12 -0.08 0.00 0.05 0.00 0.00 54.13 55.00 1jex s LEU 25 Cb -0.36 0.00 0.02 0.00 -2.05 0.00 0.00 46.19 43.80 1jex s LEU 25 CO 0.33 -0.19 1.12 1.57 -0.55 0.00 0.00 176.35 178.63 1jex n HIS 26 N 4.69 -2.68 -1.54 3.48 -0.00 -1.26 -0.32 115.22 117.60 1jex n HIS 26 Ca -0.17 0.99 -0.18 0.00 -0.00 0.00 0.00 57.72 58.36 1jex n HIS 26 Cb 0.50 -4.93 -0.08 0.00 -0.00 0.00 0.00 29.99 25.48 1jex n HIS 26 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jex n HIS 27 N -4.80 0.00 -3.77 1.57 8.25 -1.26 -4.94 115.22 110.27 1jex n HIS 27 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.16 1jex n HIS 27 Cb 0.58 -3.17 -0.17 0.00 1.12 0.00 0.00 29.99 28.34 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jex s LYS 28 N -3.56 0.70 0.08 -0.41 1.02 0.56 -4.33 119.74 113.81 1jex s LYS 28 Ca 0.00 -0.07 -0.21 0.00 0.02 0.00 0.00 55.97 55.71 1jex s LYS 28 Cb 0.00 -1.35 -0.07 0.00 -0.52 0.00 0.00 37.83 35.90 1jex s LYS 28 CO 0.00 -0.39 0.63 0.54 -0.92 0.00 0.00 175.35 175.20 1jex s VAL 29 N 1.92 4.69 -0.08 3.17 0.11 -1.23 0.43 120.40 129.41 1jex s VAL 29 Ca 0.03 1.35 0.05 0.00 -2.93 0.00 0.00 61.98 60.48 1jex s VAL 29 Cb -0.14 -3.97 -0.00 0.00 -1.53 0.00 0.00 36.38 30.75 1jex s VAL 29 CO -0.06 0.52 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.68 1jex s TYR 30 N -0.91 2.45 -1.09 1.54 1.51 -1.12 -3.32 117.35 116.40 1jex s TYR 30 Ca 0.31 -0.90 -0.14 0.00 -1.01 0.00 0.00 57.07 55.33 1jex s TYR 30 Cb -0.20 -1.63 0.19 0.00 -0.11 0.00 0.00 41.96 40.21 1jex s TYR 30 CO 0.20 -0.34 1.24 0.34 -1.11 0.00 0.00 175.55 175.88 1jex s ASP 31 N 0.17 6.99 -0.19 2.29 2.15 -1.22 -2.29 116.67 124.57 1jex s ASP 31 Ca -0.13 -2.86 0.05 0.00 0.43 0.00 0.00 52.55 50.04 1jex s ASP 31 Cb -0.16 -2.35 0.44 0.00 -0.30 0.00 0.00 42.92 40.55 1jex s ASP 31 CO 0.07 -0.72 1.37 0.00 -0.17 0.00 0.00 175.17 175.72 1jex n LEU 32 N 5.13 4.40 0.25 -1.34 -0.00 -1.19 -4.13 117.00 120.13 1jex n LEU 32 Ca 0.29 -2.28 0.14 0.00 -0.00 0.00 0.00 56.01 54.16 1jex n LEU 32 Cb 0.44 -0.65 0.59 0.00 -0.00 0.00 0.00 43.42 43.80 1jex n LEU 32 CO 0.54 0.63 0.91 0.00 -0.00 0.00 0.00 177.39 179.47 1jex h THR 33 N 1.51 0.28 0.00 1.47 1.03 -1.83 0.52 112.91 115.89 1jex h THR 33 Ca 0.17 -0.78 -0.16 0.00 -0.01 0.00 0.00 66.41 65.64 1jex h THR 33 Cb 1.70 1.61 -0.02 0.00 -1.07 0.00 0.00 68.15 70.37 1jex h THR 33 CO 0.45 0.10 -1.02 1.17 -0.01 0.00 0.00 175.52 176.21 1jex n LYS 34 N -3.26 0.53 0.00 0.00 3.00 -1.26 -4.07 118.16 113.10 1jex n LYS 34 Ca 0.00 0.56 0.07 0.00 -0.00 0.00 0.00 58.31 58.94 1jex n LYS 34 Cb 0.36 -1.73 0.39 0.00 0.00 0.00 0.00 35.03 34.05 1jex n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jex n PHE 35 N -4.49 0.00 -0.30 5.64 -0.00 -1.22 -3.78 117.46 113.31 1jex n PHE 35 Ca -0.24 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.36 1jex n PHE 35 Cb 0.54 0.00 0.41 0.00 -0.00 0.00 0.00 39.48 40.43 1jex n PHE 35 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1jex h LEU 36 N 0.00 0.61 0.00 -2.13 6.46 -0.09 0.69 115.31 120.86 1jex h LEU 36 Ca 0.00 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1jex h LEU 36 Cb 0.00 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1jex h LEU 36 CO 0.00 0.25 -0.50 -0.08 -0.62 0.00 0.00 178.44 177.49 1jex h GLU 37 N 0.61 0.00 -0.00 1.25 4.81 -1.83 -3.08 114.58 116.34 1jex h GLU 37 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1jex h GLU 37 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1jex h GLU 37 CO -0.26 0.35 -0.04 0.39 -0.73 0.00 0.00 179.01 178.72 1jex n GLU 38 N -3.14 0.85 -3.17 1.92 4.71 0.21 -4.78 120.64 117.23 1jex n GLU 38 Ca 0.01 -0.20 -0.39 0.00 -0.01 0.00 0.00 57.16 56.57 1jex n GLU 38 Cb 0.69 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.57 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1jex s HIS 39 N -2.29 3.50 -1.38 -0.32 2.46 0.40 -4.93 115.29 112.72 1jex s HIS 39 Ca 0.36 1.02 0.23 0.00 0.47 0.00 0.00 55.06 57.14 1jex s HIS 39 Cb 0.21 -2.71 1.12 0.00 -0.13 0.00 0.00 32.58 31.07 1jex s HIS 39 CO 0.42 0.05 1.73 -0.35 -2.47 0.00 0.00 174.74 174.13 1jex n PRO 40 N 4.08 0.29 0.00 2.88 -0.04 -1.26 -4.08 135.00 136.87 1jex n PRO 40 Ca -0.04 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1jex n PRO 40 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 1jex n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jex n GLY 41 N 0.65 -1.07 0.00 0.55 0.00 -1.26 -5.08 105.19 98.98 1jex n GLY 41 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jex n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jex n GLY 42 N 0.75 1.10 0.00 -0.02 0.00 -1.26 -5.01 105.19 100.75 1jex n GLY 42 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1jex n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1jex n GLU 43 N 0.00 0.95 -0.15 1.61 2.13 -1.26 -4.54 120.64 119.38 1jex n GLU 43 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 1jex n GLU 43 Cb 0.00 -0.98 0.15 0.00 0.27 0.00 0.00 31.44 30.87 1jex n GLU 43 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1jex n GLU 44 N -1.55 2.19 -0.13 5.31 0.00 -1.26 -4.27 120.64 120.93 1jex n GLU 44 Ca 0.00 -1.90 -0.24 0.00 0.00 0.00 0.00 57.16 55.02 1jex n GLU 44 Cb 0.10 -1.32 -0.11 0.00 0.00 0.00 0.00 31.44 30.11 1jex n GLU 44 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1jex n VAL 45 N 0.79 1.50 0.46 3.84 3.14 -1.26 -3.39 118.33 123.40 1jex n VAL 45 Ca 0.12 -0.47 -0.20 0.00 -2.96 0.00 0.00 64.34 60.83 1jex n VAL 45 Cb 0.43 -1.65 -0.10 0.00 -1.06 0.00 0.00 33.84 31.46 1jex n VAL 45 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jex h LEU 46 N -0.51 -1.00 -1.84 6.55 3.38 -1.80 -2.41 115.31 117.68 1jex h LEU 46 Ca -0.64 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 1jex h LEU 46 Cb 1.75 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.76 1jex h LEU 46 CO -0.26 -0.71 -0.13 0.08 0.09 0.00 0.00 178.44 177.51 1jex h ARG 47 N -1.16 0.00 -0.72 1.13 0.11 -1.81 -2.10 114.38 109.82 1jex h ARG 47 Ca -0.12 0.00 0.21 0.00 0.10 0.00 0.00 59.98 60.17 1jex h ARG 47 Cb 0.90 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.95 1jex h ARG 47 CO 0.19 0.13 0.78 1.49 0.10 0.00 0.00 179.97 182.66 1jex h GLU 48 N 0.00 0.00 0.00 0.08 4.22 -1.44 1.58 114.58 119.02 1jex h GLU 48 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 1jex h GLU 48 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1jex h GLU 48 CO 0.02 0.00 -0.22 1.04 -2.18 0.00 0.00 179.01 177.67 1jex n GLN 49 N -3.56 1.40 -1.62 1.92 1.13 -0.79 -4.85 117.38 111.01 1jex n GLN 49 Ca 0.15 -2.88 -0.40 0.00 -1.94 0.00 0.00 57.00 51.94 1jex n GLN 49 Cb 1.03 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.82 1jex n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jex n ALA 50 N -1.29 7.11 0.00 -1.58 0.00 0.54 -3.32 120.51 121.98 1jex n ALA 50 Ca 0.17 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.83 1jex n ALA 50 Cb 0.66 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.96 1jex n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jex n GLY 51 N 2.91 0.13 0.00 0.00 0.00 -1.26 -4.29 105.19 102.68 1jex n GLY 51 Ca 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1jex n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jex n GLY 52 N -0.85 2.80 3.34 -0.02 0.00 -1.21 -4.82 105.19 104.43 1jex n GLY 52 Ca 0.00 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1jex n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jex s ASP 53 N 0.18 4.79 0.14 1.61 -4.77 -1.26 -3.70 116.67 113.66 1jex s ASP 53 Ca 0.00 -0.54 0.23 0.00 -3.30 0.00 0.00 52.55 48.95 1jex s ASP 53 Cb 0.00 -1.82 0.18 0.00 -1.09 0.00 0.00 42.92 40.19 1jex s ASP 53 CO 0.00 -0.10 1.18 0.00 0.70 0.00 0.00 175.17 176.95 1jex h ALA 54 N 8.17 0.51 -0.70 2.11 0.00 -1.73 -3.34 119.26 124.29 1jex h ALA 54 Ca -0.36 0.00 0.20 0.00 0.00 0.00 0.00 54.91 54.75 1jex h ALA 54 Cb 1.14 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1jex h ALA 54 CO 0.60 0.00 0.68 0.00 0.00 0.00 0.00 179.25 180.52 1jex h THR 55 N 0.00 0.32 -0.10 0.00 1.03 -1.91 2.74 112.91 114.99 1jex h THR 55 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.21 1jex h THR 55 Cb 0.84 0.48 0.01 0.00 -1.07 0.00 0.00 68.15 68.40 1jex h THR 55 CO 0.00 0.00 -0.70 1.05 -0.01 0.00 0.00 175.52 175.86 1jex h GLU 56 N 0.00 0.64 0.05 0.00 4.11 -1.93 -0.61 114.58 116.85 1jex h GLU 56 Ca 0.33 -0.56 -0.27 0.00 0.07 0.00 0.00 59.36 58.93 1jex h GLU 56 Cb 1.68 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.03 1jex h GLU 56 CO -0.00 1.18 -1.42 -0.91 0.07 0.00 0.00 179.01 177.93 1jex h ASN 57 N 0.30 0.16 -0.49 3.06 4.21 0.02 -2.79 115.58 120.05 1jex h ASN 57 Ca -0.06 -0.23 -0.12 0.00 1.21 0.00 0.00 56.30 57.10 1jex h ASN 57 Cb 1.34 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.48 1jex h ASN 57 CO 0.14 1.19 -0.17 0.15 -1.29 0.00 0.00 177.43 177.45 1jex h PHE 58 N 0.03 1.13 0.00 1.19 3.04 0.44 -2.68 116.94 120.08 1jex h PHE 58 Ca -0.18 -0.25 -0.04 0.00 3.98 0.00 0.00 57.97 61.47 1jex h PHE 58 Cb 1.94 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 40.17 1jex h PHE 58 CO 0.03 1.07 -0.20 1.05 -2.02 0.00 0.00 178.31 178.24 1jex h GLU 59 N 0.87 0.00 0.68 1.11 -0.00 -1.21 -3.16 114.58 112.87 1jex h GLU 59 Ca 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.45 1jex h GLU 59 Cb 0.74 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.50 1jex h GLU 59 CO 0.06 0.20 -0.33 0.22 -0.00 0.00 0.00 179.01 179.16 1jex h ASP 60 N 0.00 -0.78 0.00 3.06 1.82 -1.19 -1.76 116.42 117.58 1jex h ASP 60 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1jex h ASP 60 Cb 1.04 0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1jex h ASP 60 CO 0.03 -0.49 0.00 1.62 -1.61 0.00 0.00 179.24 178.79 1jex h VAL 61 N -1.03 0.00 -4.48 2.25 3.04 -1.58 -3.46 116.25 110.99 1jex h VAL 61 Ca -0.09 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1jex h VAL 61 Cb 0.73 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1jex h VAL 61 CO 0.15 0.00 -0.29 0.61 -1.01 0.00 0.00 177.57 177.03 1jex n GLY 62 N -1.16 -1.08 3.76 3.17 0.00 -0.66 -4.97 105.19 104.25 1jex n GLY 62 Ca -0.02 0.73 -0.40 0.00 0.00 0.00 0.00 46.02 46.32 1jex n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jex s HIS 63 N -2.13 3.61 0.73 1.61 3.76 -1.23 -4.98 115.29 116.67 1jex s HIS 63 Ca 0.15 1.72 -0.16 0.00 -0.15 0.00 0.00 55.06 56.61 1jex s HIS 63 Cb -0.04 -3.26 -0.07 0.00 1.11 0.00 0.00 32.58 30.32 1jex s HIS 63 CO 0.50 -0.47 0.27 0.45 -0.85 0.00 0.00 174.74 174.64 1jex n SER 64 N 1.22 -2.17 0.17 1.40 2.88 -1.26 -4.86 113.62 111.00 1jex n SER 64 Ca -0.01 0.55 0.04 0.00 -1.33 0.00 0.00 58.87 58.11 1jex n SER 64 Cb 0.45 -1.11 0.25 0.00 -0.75 0.00 0.00 64.21 63.06 1jex n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jex h THR 65 N -0.43 0.99 -0.59 2.46 1.03 -2.05 -2.66 112.91 111.65 1jex h THR 65 Ca -0.44 -1.77 -0.03 0.00 -0.01 0.00 0.00 66.41 64.15 1jex h THR 65 Cb 1.36 2.06 -0.02 0.00 -1.07 0.00 0.00 68.15 70.48 1jex h THR 65 CO 0.40 0.44 0.04 0.47 -0.01 0.00 0.00 175.52 176.86 1jex n ASP 66 N -3.52 5.55 -0.05 0.00 8.00 -1.26 -4.32 116.55 120.96 1jex n ASP 66 Ca -0.00 -2.96 -0.15 0.00 0.71 0.00 0.00 54.79 52.39 1jex n ASP 66 Cb 0.57 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1jex h VAL 67 N 3.74 1.36 -1.01 2.53 3.04 -1.81 -3.13 116.25 120.99 1jex h VAL 67 Ca 0.04 -1.65 0.40 0.00 -1.01 0.00 0.00 66.70 64.48 1jex h VAL 67 Cb 2.02 2.06 -0.15 0.00 -2.01 0.00 0.00 31.29 33.20 1jex h VAL 67 CO 0.53 0.49 0.58 -1.14 -1.01 0.00 0.00 177.57 177.02 1jex n ARG 68 N -4.33 -0.05 -0.37 4.17 0.63 -1.26 0.21 116.66 115.65 1jex n ARG 68 Ca -0.07 1.23 0.37 0.00 -0.92 0.00 0.00 57.85 58.47 1jex n ARG 68 Cb 0.52 -2.27 0.66 0.00 0.45 0.00 0.00 32.46 31.82 1jex n ARG 68 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1jex h GLU 69 N 0.00 0.00 0.00 -0.14 4.11 -1.87 -0.54 114.58 116.13 1jex h GLU 69 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.21 1jex h GLU 69 Cb 2.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1jex h GLU 69 CO -0.63 0.00 0.00 1.28 0.07 0.00 0.00 179.01 179.73 1jex n LEU 70 N -3.69 0.30 -4.56 3.06 7.99 0.56 -4.40 117.00 116.26 1jex n LEU 70 Ca 0.29 0.67 -0.26 0.00 -0.01 0.00 0.00 56.01 56.70 1jex n LEU 70 Cb 1.56 -0.39 -0.05 0.00 -0.11 0.00 0.00 43.42 44.43 1jex n LEU 70 CO 0.34 -0.39 1.47 -0.94 -1.51 0.00 0.00 177.39 176.37 1jex s SER 71 N -2.24 4.64 0.00 -1.43 1.04 -0.21 -4.62 113.70 110.88 1jex s SER 71 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1jex s SER 71 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1jex s SER 71 CO 0.00 -3.06 0.00 1.17 0.98 0.00 0.00 173.24 172.33 1jex n LYS 72 N 8.93 0.00 0.16 4.02 3.00 -1.26 -4.64 118.16 128.38 1jex n LYS 72 Ca 0.38 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.77 1jex n LYS 72 Cb 0.48 -0.15 0.07 0.00 0.00 0.00 0.00 35.03 35.44 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1jex h THR 73 N 0.00 0.33 -0.74 3.15 2.02 -1.95 -3.27 112.91 112.45 1jex h THR 73 Ca 0.00 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.65 1jex h THR 73 Cb 0.00 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1jex h THR 73 CO 0.00 0.19 0.32 1.88 0.37 0.00 0.00 175.52 178.28 1jex h TYR 74 N 0.00 1.08 -0.97 3.16 0.05 -1.86 -3.44 116.97 114.99 1jex h TYR 74 Ca -0.02 -0.06 -0.65 0.00 0.05 0.00 0.00 58.73 58.05 1jex h TYR 74 Cb 1.18 -0.33 0.11 0.00 1.01 0.00 0.00 36.73 38.70 1jex h TYR 74 CO 0.00 0.80 -0.51 -0.89 -1.05 0.00 0.00 178.16 176.51 1jex n ILE 75 N -4.30 1.93 -0.13 -2.88 2.08 -1.24 -3.41 119.36 111.40 1jex n ILE 75 Ca 0.07 -0.48 -0.23 0.00 0.56 0.00 0.00 62.75 62.66 1jex n ILE 75 Cb 0.16 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.94 1jex n ILE 75 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1jex n ILE 76 N 0.01 1.48 0.00 1.39 -5.35 -1.21 -4.78 119.36 110.90 1jex n ILE 76 Ca 0.17 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1jex n ILE 76 Cb 0.24 -1.63 0.00 0.00 -1.74 0.00 0.00 39.64 36.52 1jex n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jex n GLY 77 N 1.81 -0.48 3.39 3.28 0.00 -1.21 -4.77 105.19 107.20 1jex n GLY 77 Ca -0.49 0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.67 1jex n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jex s GLU 78 N 0.00 0.29 0.96 1.61 -1.05 -1.26 -3.50 118.70 115.75 1jex s GLU 78 Ca 0.00 0.72 -0.13 0.00 -0.15 0.00 0.00 54.97 55.41 1jex s GLU 78 Cb 0.00 0.43 0.04 0.00 -0.44 0.00 0.00 34.13 34.17 1jex s GLU 78 CO 0.00 -0.11 0.38 1.47 0.95 0.00 0.00 175.26 177.95 1jex n LEU 79 N 4.99 -0.38 -3.10 1.83 -0.00 -1.26 -4.18 117.00 114.91 1jex n LEU 79 Ca -0.09 0.29 -0.35 0.00 -0.00 0.00 0.00 56.01 55.87 1jex n LEU 79 Cb 0.53 -1.19 -0.03 0.00 -0.00 0.00 0.00 43.42 42.73 1jex n LEU 79 CO -0.05 -3.60 0.05 1.57 -0.00 0.00 0.00 177.39 175.37 1jex n HIS 80 N -3.66 -0.23 0.22 1.47 -0.00 -0.51 -4.68 115.22 107.82 1jex n HIS 80 Ca 0.06 0.69 0.11 0.00 -0.00 0.00 0.00 57.72 58.58 1jex n HIS 80 Cb 0.54 -1.39 0.36 0.00 -0.00 0.00 0.00 29.99 29.50 1jex n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1jex h PRO 81 N 0.91 0.00 0.00 1.57 0.13 -1.92 -1.62 132.00 131.07 1jex h PRO 81 Ca -0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 1jex h PRO 81 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1jex h PRO 81 CO 0.41 0.16 -0.40 0.22 -0.23 0.00 0.00 178.00 178.15 1jex h ASP 82 N 0.00 0.00 0.10 1.44 1.82 -1.98 -2.71 116.42 115.09 1jex h ASP 82 Ca -0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 1jex h ASP 82 Cb 0.87 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.88 1jex h ASP 82 CO 0.02 0.37 -1.06 0.44 -1.61 0.00 0.00 179.24 177.39 1jex h ASP 83 N 0.00 0.33 -0.59 2.28 5.19 -1.83 -3.04 116.42 118.77 1jex h ASP 83 Ca -0.01 -0.87 0.02 0.00 -0.62 0.00 0.00 57.03 55.55 1jex h ASP 83 Cb 1.29 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.66 1jex h ASP 83 CO 0.05 1.47 0.39 0.08 -3.12 0.00 0.00 179.24 178.11 1jex h ARG 84 N -0.46 0.73 0.00 3.56 -0.00 -1.37 0.22 114.38 117.06 1jex h ARG 84 Ca -0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.71 1jex h ARG 84 Cb 1.60 -0.16 0.00 0.00 -0.00 0.00 0.00 29.97 31.41 1jex h ARG 84 CO 0.06 0.48 0.00 0.77 -0.00 0.00 0.00 179.97 181.28 1jex h SER 85 N 0.75 0.00 0.54 0.08 0.02 -1.58 -2.68 113.55 110.68 1jex h SER 85 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1jex h SER 85 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1jex h SER 85 CO -0.05 0.00 -0.95 0.29 -1.14 0.00 0.00 176.83 174.98 1jex n LYS 86 N -2.30 0.30 0.00 3.45 4.01 0.59 -3.68 118.16 120.53 1jex n LYS 86 Ca 0.04 0.02 0.11 0.00 -0.51 0.00 0.00 58.31 57.98 1jex n LYS 86 Cb 0.37 -1.62 0.67 0.00 -0.51 0.00 0.00 35.03 33.94 1jex n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1jex n ILE 87 N -2.02 0.04 0.26 -0.18 2.08 -0.09 -5.07 119.36 114.37 1jex n ILE 87 Ca 0.02 0.01 0.02 0.00 0.56 0.00 0.00 62.75 63.36 1jex n ILE 87 Cb 0.44 -0.65 0.12 0.00 -0.75 0.00 0.00 39.64 38.81 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11