#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 4.50 -0.83 1.45 2.20 -1.26 -4.98 119.74 120.82 1jex s LYS 5 Ca 0.00 1.07 -0.18 0.00 -0.36 0.00 0.00 55.97 56.50 1jex s LYS 5 Cb 0.00 -3.32 0.14 0.00 -1.51 0.00 0.00 37.83 33.14 1jex s LYS 5 CO 0.00 0.41 0.97 0.71 -0.36 0.00 0.00 175.35 177.07 1jex s TYR 6 N -0.50 3.22 -0.19 4.03 2.02 -1.26 -4.33 117.35 120.34 1jex s TYR 6 Ca 0.37 -1.40 -0.08 0.00 -0.37 0.00 0.00 57.07 55.58 1jex s TYR 6 Cb -0.21 -4.14 -0.04 0.00 -0.40 0.00 0.00 41.96 37.17 1jex s TYR 6 CO 0.24 -1.36 0.09 1.52 -1.57 0.00 0.00 175.55 174.47 1jex s TYR 7 N 2.21 3.31 0.68 2.71 -0.85 -1.26 -4.27 117.35 119.89 1jex s TYR 7 Ca 0.25 0.17 -0.10 0.00 -0.52 0.00 0.00 57.07 56.87 1jex s TYR 7 Cb -0.10 -2.12 0.01 0.00 0.38 0.00 0.00 41.96 40.13 1jex s TYR 7 CO -0.06 0.19 1.06 0.95 -1.52 0.00 0.00 175.55 176.18 1jex s THR 8 N 0.41 3.57 0.42 -3.49 -4.23 -1.26 -0.87 115.64 110.19 1jex s THR 8 Ca 0.05 0.42 0.28 0.00 -1.18 0.00 0.00 61.69 61.26 1jex s THR 8 Cb -0.12 -3.49 0.45 0.00 1.34 0.00 0.00 72.50 70.68 1jex s THR 8 CO -0.00 -0.62 1.60 -0.07 -0.54 0.00 0.00 174.62 174.98 1jex h LEU 9 N -0.56 0.26 -1.37 4.79 4.07 -1.94 2.24 115.31 122.80 1jex h LEU 9 Ca -0.45 0.17 0.09 0.00 0.08 0.00 0.00 57.88 57.77 1jex h LEU 9 Cb 1.25 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1jex h LEU 9 CO 0.63 -0.27 0.68 -0.08 -1.08 0.00 0.00 178.44 178.32 1jex h GLU 10 N 0.05 0.00 0.00 1.13 4.81 -1.96 2.07 114.58 120.68 1jex h GLU 10 Ca 0.85 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.90 1jex h GLU 10 Cb 2.56 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.91 1jex h GLU 10 CO -0.53 0.00 -1.35 0.39 -0.73 0.00 0.00 179.01 176.80 1jex n GLU 11 N -3.08 0.53 0.08 1.92 -0.58 0.76 -4.15 120.64 116.12 1jex n GLU 11 Ca 0.06 0.39 0.08 0.00 -0.42 0.00 0.00 57.16 57.27 1jex n GLU 11 Cb 0.80 -1.59 0.54 0.00 -0.57 0.00 0.00 31.44 30.61 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 1.00 -0.90 -3.67 5.03 -1.02 -0.92 117.51 116.03 1jex h ILE 12 Ca -0.27 -0.10 0.10 0.00 -0.12 0.00 0.00 64.86 64.48 1jex h ILE 12 Cb 1.11 0.70 -0.08 0.00 -3.03 0.00 0.00 36.82 35.52 1jex h ILE 12 CO -0.16 0.05 0.54 1.56 -0.68 0.00 0.00 178.15 179.46 1jex h GLN 13 N 0.28 0.86 0.00 2.37 1.08 0.31 0.83 115.11 120.84 1jex h GLN 13 Ca 0.13 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1jex h GLN 13 Cb 0.15 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1jex h GLN 13 CO -0.03 0.57 0.00 1.17 -0.95 0.00 0.00 178.83 179.59 1jex n LYS 14 N -4.69 0.29 -1.87 1.46 4.81 -0.36 -2.86 118.16 114.93 1jex n LYS 14 Ca 0.16 0.08 -0.32 0.00 -0.87 0.00 0.00 58.31 57.36 1jex n LYS 14 Cb 0.30 -1.50 0.04 0.00 0.02 0.00 0.00 35.03 33.89 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1jex n HIS 15 N -1.30 3.09 -2.74 5.64 8.25 0.29 -4.75 115.22 123.70 1jex n HIS 15 Ca 0.10 -2.67 -0.34 0.00 -0.26 0.00 0.00 57.72 54.55 1jex n HIS 15 Cb 0.18 -0.83 -0.01 0.00 1.12 0.00 0.00 29.99 30.45 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 -0.69 4.21 -3.57 -0.41 4.81 -1.11 -3.39 118.16 118.00 1jex n LYS 16 Ca 0.51 -4.70 -0.17 0.00 -0.87 0.00 0.00 58.31 53.09 1jex n LYS 16 Cb 0.64 -2.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.29 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 -2.42 -0.55 0.21 3.14 2.15 -0.58 -5.01 116.67 113.60 1jex s ASP 17 Ca 0.45 0.56 -0.15 0.00 0.43 0.00 0.00 52.55 53.83 1jex s ASP 17 Cb 0.25 0.49 0.23 0.00 -0.30 0.00 0.00 42.92 43.59 1jex s ASP 17 CO -0.15 -0.58 1.40 -1.54 -0.17 0.00 0.00 175.17 174.12 1jex n SER 18 N 0.96 -0.57 -0.28 -0.34 3.41 -1.26 0.98 113.62 116.52 1jex n SER 18 Ca -0.20 1.57 -0.05 0.00 -0.26 0.00 0.00 58.87 59.93 1jex n SER 18 Cb 0.57 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1jex n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jex h LYS 19 N 0.00 -0.12 -3.56 4.33 1.63 -1.96 -3.35 116.57 113.54 1jex h LYS 19 Ca 0.32 0.01 -0.54 0.00 -0.85 0.00 0.00 60.65 59.59 1jex h LYS 19 Cb 0.54 0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 31.80 1jex h LYS 19 CO -0.89 -0.08 -0.76 0.45 -3.45 0.00 0.00 179.45 174.71 1jex s SER 20 N -5.25 3.24 -0.05 4.20 0.15 0.28 -4.86 113.70 111.40 1jex s SER 20 Ca -0.14 -1.04 -0.02 0.00 0.70 0.00 0.00 55.95 55.46 1jex s SER 20 Cb 0.16 -0.68 0.03 0.00 -1.71 0.00 0.00 66.02 63.82 1jex s SER 20 CO 0.68 -0.33 0.03 -0.89 1.20 0.00 0.00 173.24 173.94 1jex s THR 21 N 1.79 0.11 0.17 6.45 2.01 -0.97 -1.53 115.64 123.67 1jex s THR 21 Ca 0.01 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1jex s THR 21 Cb -0.17 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1jex s THR 21 CO -0.13 0.22 0.02 0.79 -0.69 0.00 0.00 174.62 174.82 1jex n TRP 22 N 5.23 0.30 -3.19 4.92 8.01 -1.24 -2.64 117.44 128.83 1jex n TRP 22 Ca -0.05 -0.90 0.03 0.00 -1.31 0.00 0.00 57.50 55.27 1jex n TRP 22 Cb 0.50 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.31 29.71 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 -1.79 -0.99 -0.83 -0.99 -7.23 -1.03 -3.99 120.40 103.54 1jex s VAL 23 Ca 0.02 -0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 59.94 1jex s VAL 23 Cb 0.00 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.89 1jex s VAL 23 CO 0.02 -0.00 2.03 0.27 -0.31 0.00 0.00 175.10 177.10 1jex s ILE 24 N 2.85 3.35 -0.08 -0.62 -5.25 -1.24 -2.47 121.20 117.74 1jex s ILE 24 Ca 0.19 -0.22 0.01 0.00 -0.99 0.00 0.00 60.65 59.64 1jex s ILE 24 Cb -0.15 -3.80 -0.03 0.00 2.95 0.00 0.00 42.46 41.44 1jex s ILE 24 CO -0.21 -0.75 -0.09 -1.48 -1.79 0.00 0.00 174.94 170.62 1jex s LEU 25 N 10.83 3.02 -1.44 0.37 0.05 0.15 -3.97 118.68 127.69 1jex s LEU 25 Ca 0.74 -0.11 -0.04 0.00 0.05 0.00 0.00 54.13 54.77 1jex s LEU 25 Cb -0.09 -1.66 0.03 0.00 -2.05 0.00 0.00 46.19 42.42 1jex s LEU 25 CO 0.04 0.31 0.60 1.41 -0.55 0.00 0.00 176.35 178.17 1jex n HIS 26 N 2.58 -1.81 -1.52 3.48 8.25 -1.26 0.16 115.22 125.10 1jex n HIS 26 Ca -0.18 0.80 -0.17 0.00 -0.26 0.00 0.00 57.72 57.91 1jex n HIS 26 Cb 0.53 -3.84 -0.07 0.00 1.12 0.00 0.00 29.99 27.73 1jex n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jex n HIS 27 N -4.40 -0.23 -3.70 4.41 8.25 -1.26 -4.91 115.22 113.38 1jex n HIS 27 Ca -0.22 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.01 1jex n HIS 27 Cb 0.64 -3.02 -0.17 0.00 1.12 0.00 0.00 29.99 28.55 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 -3.48 0.29 0.08 -0.41 1.02 0.43 -4.41 119.74 113.27 1jex s LYS 28 Ca 0.00 0.06 -0.24 0.00 0.02 0.00 0.00 55.97 55.82 1jex s LYS 28 Cb 0.00 -1.21 -0.06 0.00 -0.52 0.00 0.00 37.83 36.04 1jex s LYS 28 CO 0.00 -0.45 0.71 0.54 -0.92 0.00 0.00 175.35 175.24 1jex s VAL 29 N 2.05 4.64 -0.08 3.17 0.11 -1.20 0.31 120.40 129.40 1jex s VAL 29 Ca 0.03 1.53 0.04 0.00 -2.93 0.00 0.00 61.98 60.66 1jex s VAL 29 Cb -0.14 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.64 1jex s VAL 29 CO -0.06 0.46 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.65 1jex s TYR 30 N -0.60 2.56 -1.12 1.54 1.51 -1.03 -3.22 117.35 116.99 1jex s TYR 30 Ca 0.35 -0.68 -0.16 0.00 -1.01 0.00 0.00 57.07 55.56 1jex s TYR 30 Cb -0.21 -1.67 0.14 0.00 -0.11 0.00 0.00 41.96 40.12 1jex s TYR 30 CO 0.23 -0.19 1.37 0.34 -1.11 0.00 0.00 175.55 176.19 1jex s ASP 31 N -0.06 6.88 -0.25 2.29 -1.08 0.53 -2.47 116.67 122.50 1jex s ASP 31 Ca -0.05 -2.56 0.05 0.00 -0.52 0.00 0.00 52.55 49.46 1jex s ASP 31 Cb -0.14 -2.43 0.47 0.00 -1.46 0.00 0.00 42.92 39.36 1jex s ASP 31 CO 0.04 -0.93 1.52 0.00 0.52 0.00 0.00 175.17 176.32 1jex n LEU 32 N 6.39 5.06 0.19 -1.34 -0.00 -1.12 -4.14 117.00 122.04 1jex n LEU 32 Ca 0.34 -2.65 0.07 0.00 -0.00 0.00 0.00 56.01 53.77 1jex n LEU 32 Cb 0.46 -0.69 0.24 0.00 -0.00 0.00 0.00 43.42 43.43 1jex n LEU 32 CO 0.60 0.75 0.66 0.00 -0.00 0.00 0.00 177.39 179.40 1jex h THR 33 N 1.25 0.65 0.08 1.47 1.03 -1.80 0.43 112.91 116.01 1jex h THR 33 Ca 0.29 -1.59 -0.31 0.00 -0.01 0.00 0.00 66.41 64.79 1jex h THR 33 Cb 2.01 2.07 -0.02 0.00 -1.07 0.00 0.00 68.15 71.13 1jex h THR 33 CO 0.61 0.32 -1.69 2.29 -0.01 0.00 0.00 175.52 177.03 1jex n LYS 34 N -3.30 0.68 -0.14 0.00 0.00 -1.26 -4.02 118.16 110.12 1jex n LYS 34 Ca 0.01 0.39 0.08 0.00 -0.00 0.00 0.00 58.31 58.79 1jex n LYS 34 Cb 0.57 -1.73 0.24 0.00 -0.00 0.00 0.00 35.03 34.12 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 -3.88 0.38 -0.27 5.58 -0.00 -1.23 -4.13 117.46 113.90 1jex n PHE 35 Ca -0.32 -0.19 0.02 0.00 -0.00 0.00 0.00 57.45 56.96 1jex n PHE 35 Cb 0.90 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 40.53 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 2.16 0.59 -0.27 -2.13 6.46 -0.27 0.19 115.31 122.04 1jex h LEU 36 Ca 0.00 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.49 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1jex h LEU 36 CO 0.00 0.34 -0.23 -0.08 -0.62 0.00 0.00 178.44 177.85 1jex h GLU 37 N 0.72 0.00 -0.00 1.25 4.81 -1.83 -2.87 114.58 116.66 1jex h GLU 37 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1jex h GLU 37 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1jex h GLU 37 CO -0.25 0.23 -0.03 0.39 -0.73 0.00 0.00 179.01 178.63 1jex n GLU 38 N -3.19 0.88 -3.45 1.92 -0.58 0.43 -4.78 120.64 111.86 1jex n GLU 38 Ca 0.02 -0.18 -0.37 0.00 -0.42 0.00 0.00 57.16 56.22 1jex n GLU 38 Cb 0.58 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.89 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1jex s HIS 39 N -2.25 3.52 -1.14 -0.32 2.46 0.09 -4.95 115.29 112.70 1jex s HIS 39 Ca 0.38 0.76 0.22 0.00 0.47 0.00 0.00 55.06 56.89 1jex s HIS 39 Cb 0.21 -2.41 1.01 0.00 -0.13 0.00 0.00 32.58 31.26 1jex s HIS 39 CO 0.41 0.28 1.71 -0.35 -2.47 0.00 0.00 174.74 174.33 1jex n PRO 40 N 3.32 0.11 0.00 2.88 -0.04 -1.26 -4.04 135.00 135.97 1jex n PRO 40 Ca -0.10 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1jex n PRO 40 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.72 -2.18 0.00 0.55 0.00 -1.26 -5.06 105.19 97.96 1jex n GLY 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.05 1.08 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.96 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 3.62 -0.02 1.61 2.13 -1.26 -4.53 120.64 122.19 1jex n GLU 43 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1jex n GLU 43 Cb 0.00 -0.72 -0.05 0.00 0.27 0.00 0.00 31.44 30.94 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 -1.20 2.25 0.04 5.31 0.00 -1.26 -4.31 120.64 121.48 1jex n GLU 44 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 57.16 57.07 1jex n GLU 44 Cb 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 31.44 30.38 1jex n GLU 44 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 1jex h VAL 45 N 0.00 1.35 -0.24 3.84 3.04 -1.94 1.53 116.25 123.83 1jex h VAL 45 Ca -0.11 -1.90 -0.08 0.00 -1.01 0.00 0.00 66.70 63.60 1jex h VAL 45 Cb 1.04 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.22 1jex h VAL 45 CO 0.01 0.58 -0.16 -0.07 -1.01 0.00 0.00 177.57 176.92 1jex h LEU 46 N 0.30 0.55 0.00 3.16 3.38 -1.81 -3.05 115.31 117.85 1jex h LEU 46 Ca -0.00 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1jex h LEU 46 Cb 1.12 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1jex h LEU 46 CO 0.10 0.87 -0.47 0.08 0.09 0.00 0.00 178.44 179.10 1jex h ARG 47 N 0.23 0.00 -0.88 1.13 0.11 -1.73 -3.28 114.38 109.97 1jex h ARG 47 Ca 0.05 0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.38 1jex h ARG 47 Cb 0.68 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.72 1jex h ARG 47 CO 0.04 0.35 1.02 1.49 0.10 0.00 0.00 179.97 182.97 1jex h GLU 48 N 0.00 0.00 -0.92 0.08 4.57 0.23 1.26 114.58 119.81 1jex h GLU 48 Ca -0.02 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.67 1jex h GLU 48 Cb 1.29 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.46 1jex h GLU 48 CO 0.05 0.00 -0.88 1.04 -1.18 0.00 0.00 179.01 178.04 1jex n GLN 49 N -3.37 3.05 -1.80 1.92 1.13 -1.23 -4.87 117.38 112.19 1jex n GLN 49 Ca 0.19 -4.07 -0.34 0.00 -1.94 0.00 0.00 57.00 50.85 1jex n GLN 49 Cb 1.30 -2.07 -0.02 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.58 6.51 0.00 -1.58 0.00 0.43 -3.86 120.51 121.44 1jex n ALA 50 Ca 0.34 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 50.13 1jex n ALA 50 Cb 0.85 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 0.69 0.09 0.00 0.00 0.00 -1.26 -4.21 105.19 100.50 1jex n GLY 51 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.66 2.69 3.32 -0.02 0.00 -1.25 -4.85 105.19 104.41 1jex n GLY 52 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.53 4.94 0.14 1.61 1.47 -1.26 -3.66 116.67 119.38 1jex s ASP 53 Ca 0.00 -0.72 0.23 0.00 1.18 0.00 0.00 52.55 53.24 1jex s ASP 53 Cb 0.00 -1.83 0.09 0.00 -0.34 0.00 0.00 42.92 40.83 1jex s ASP 53 CO 0.00 -0.17 1.09 0.00 0.68 0.00 0.00 175.17 176.77 1jex n ALA 54 N 4.82 2.80 -0.02 2.11 0.00 -1.25 -3.94 120.51 125.03 1jex n ALA 54 Ca -0.15 -0.28 0.24 0.00 0.00 0.00 0.00 53.44 53.25 1jex n ALA 54 Cb 0.48 -1.09 0.68 0.00 0.00 0.00 0.00 19.45 19.52 1jex n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jex h THR 55 N 0.00 0.28 -0.02 0.00 1.03 -1.91 3.26 112.91 115.55 1jex h THR 55 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.19 1jex h THR 55 Cb 0.88 0.47 0.02 0.00 -1.07 0.00 0.00 68.15 68.45 1jex h THR 55 CO 0.00 0.00 -0.82 1.05 -0.01 0.00 0.00 175.52 175.74 1jex h GLU 56 N 0.00 0.60 0.00 0.00 4.11 -1.95 -0.28 114.58 117.06 1jex h GLU 56 Ca 0.30 -0.61 -0.21 0.00 0.07 0.00 0.00 59.36 58.91 1jex h GLU 56 Cb 1.63 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.01 1jex h GLU 56 CO -0.00 1.22 -1.27 -0.91 0.07 0.00 0.00 179.01 178.12 1jex h ASN 57 N 0.21 0.00 -0.15 3.06 4.21 0.04 -2.94 115.58 120.01 1jex h ASN 57 Ca -0.10 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.20 1jex h ASN 57 Cb 1.49 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.70 1jex h ASN 57 CO 0.16 0.82 -0.73 0.15 -1.29 0.00 0.00 177.43 176.55 1jex h PHE 58 N 0.00 1.05 0.00 1.19 3.04 0.56 -3.04 116.94 119.73 1jex h PHE 58 Ca -0.14 -0.44 -0.01 0.00 3.98 0.00 0.00 57.97 61.36 1jex h PHE 58 Cb 1.75 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 40.09 1jex h PHE 58 CO 0.00 1.27 -0.03 1.05 -2.02 0.00 0.00 178.31 178.58 1jex h GLU 59 N 0.55 0.00 0.42 1.11 -0.00 -1.15 -3.22 114.58 112.29 1jex h GLU 59 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1jex h GLU 59 Cb 1.35 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.09 1jex h GLU 59 CO 0.15 0.03 -0.28 0.22 -0.00 0.00 0.00 179.01 179.13 1jex h ASP 60 N 0.00 -0.72 0.31 3.06 3.58 -1.39 -0.35 116.42 120.92 1jex h ASP 60 Ca -0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jex h ASP 60 Cb 0.86 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1jex h ASP 60 CO 0.00 -0.44 0.00 1.62 -2.88 0.00 0.00 179.24 177.55 1jex h VAL 61 N -0.68 0.00 -4.09 2.25 3.04 -1.60 -3.47 116.25 111.70 1jex h VAL 61 Ca -0.04 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1jex h VAL 61 Cb 0.57 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1jex h VAL 61 CO 0.03 0.00 -0.16 0.61 -1.01 0.00 0.00 177.57 177.04 1jex n GLY 62 N -0.75 -0.91 3.75 3.17 0.00 -0.14 -4.97 105.19 105.34 1jex n GLY 62 Ca -0.02 0.41 -0.41 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.15 3.36 0.78 1.61 3.76 -1.25 -4.96 115.29 116.44 1jex s HIS 63 Ca 0.08 1.48 -0.16 0.00 -0.15 0.00 0.00 55.06 56.32 1jex s HIS 63 Cb -0.02 -3.47 -0.06 0.00 1.11 0.00 0.00 32.58 30.14 1jex s HIS 63 CO 0.36 -1.24 0.22 0.43 -0.85 0.00 0.00 174.74 173.65 1jex n SER 64 N 1.67 -2.43 0.20 1.40 7.64 -1.26 -4.86 113.62 115.98 1jex n SER 64 Ca 0.02 0.48 0.08 0.00 1.01 0.00 0.00 58.87 60.46 1jex n SER 64 Cb 0.44 -1.10 0.31 0.00 -1.01 0.00 0.00 64.21 62.85 1jex n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1jex h THR 65 N -0.65 0.57 -0.56 0.44 1.35 -2.06 -2.64 112.91 109.36 1jex h THR 65 Ca -0.44 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1jex h THR 65 Cb 1.34 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1jex h THR 65 CO 0.38 0.27 0.00 0.47 -0.25 0.00 0.00 175.52 176.39 1jex n ASP 66 N -3.30 4.85 -0.10 5.36 8.00 -1.26 -4.25 116.55 125.85 1jex n ASP 66 Ca 0.01 -2.62 -0.14 0.00 0.71 0.00 0.00 54.79 52.75 1jex n ASP 66 Cb 0.53 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 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 3.70 1.29 -1.43 2.53 3.04 -1.80 -2.97 116.25 120.61 1jex h VAL 67 Ca 0.00 -1.57 0.47 0.00 -1.01 0.00 0.00 66.70 64.59 1jex h VAL 67 Cb 1.59 1.55 -0.12 0.00 -2.01 0.00 0.00 31.29 32.30 1jex h VAL 67 CO 0.33 0.51 0.94 -0.09 -1.01 0.00 0.00 177.57 178.25 1jex h ARG 68 N 0.59 0.04 -0.90 4.17 1.12 -1.79 1.90 114.38 119.50 1jex h ARG 68 Ca 0.04 -0.00 0.20 0.00 -1.11 0.00 0.00 59.98 59.11 1jex h ARG 68 Cb 0.98 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.86 1jex h ARG 68 CO 0.09 0.03 0.59 1.05 -3.11 0.00 0.00 179.97 178.63 1jex h GLU 69 N 0.04 0.43 0.67 0.20 4.11 -1.85 -1.91 114.58 116.27 1jex h GLU 69 Ca 0.85 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 60.23 1jex h GLU 69 Cb 2.82 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 31.98 1jex h GLU 69 CO -0.38 0.28 -0.32 -0.07 0.07 0.00 0.00 179.01 178.60 1jex h LEU 70 N 0.44 -0.76 -5.03 3.06 -0.00 0.28 -3.12 115.31 110.18 1jex h LEU 70 Ca 0.47 0.03 -0.38 0.00 -0.00 0.00 0.00 57.88 58.00 1jex h LEU 70 Cb 1.12 0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1jex h LEU 70 CO -0.19 -0.51 2.19 -1.20 -0.00 0.00 0.00 178.44 178.73 1jex n SER 71 N -4.62 5.55 0.09 -0.43 7.64 -0.72 -4.27 113.62 116.86 1jex n SER 71 Ca -0.11 -2.35 -0.23 0.00 1.01 0.00 0.00 58.87 57.19 1jex n SER 71 Cb 0.35 -1.18 -0.15 0.00 -1.01 0.00 0.00 64.21 62.22 1jex n SER 71 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1jex h LYS 72 N 5.34 0.42 -0.00 1.43 3.11 -1.54 -3.37 116.57 121.96 1jex h LYS 72 Ca 0.49 -0.72 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 1jex h LYS 72 Cb 0.43 0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 1jex h LYS 72 CO 1.23 1.34 -0.42 2.41 -2.81 0.00 0.00 179.45 181.20 1jex n THR 73 N -3.85 0.00 0.04 1.00 -1.04 -1.26 -4.48 114.28 104.69 1jex n THR 73 Ca -0.18 -0.29 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 1jex n THR 73 Cb 1.00 1.03 0.09 0.00 -1.82 0.00 0.00 70.33 70.63 1jex n THR 73 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1jex n TYR 74 N -0.97 1.31 -4.00 -1.42 4.01 -1.26 -4.88 117.16 109.95 1jex n TYR 74 Ca 0.03 -1.02 -0.30 0.00 -0.16 0.00 0.00 57.90 56.44 1jex n TYR 74 Cb 0.18 -0.53 -0.05 0.00 -0.31 0.00 0.00 39.34 38.62 1jex n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1jex s ILE 75 N -1.47 4.86 -0.06 -0.72 -1.09 -1.26 -0.34 121.20 121.11 1jex s ILE 75 Ca 0.25 -0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1jex s ILE 75 Cb 0.21 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.69 1jex s ILE 75 CO 0.05 0.11 -0.07 2.30 -1.23 0.00 0.00 174.94 176.10 1jex n ILE 76 N 0.32 0.33 0.00 2.92 -5.35 -1.21 -4.66 119.36 111.71 1jex n ILE 76 Ca -0.07 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1jex n ILE 76 Cb 0.52 -1.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.24 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 2.90 -0.36 3.46 3.28 0.00 -1.20 -4.78 105.19 108.49 1jex n GLY 77 Ca -0.11 0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.37 0.80 1.61 -1.05 -1.26 -3.27 118.70 115.90 1jex s GLU 78 Ca 0.00 0.93 -0.15 0.00 -0.15 0.00 0.00 54.97 55.61 1jex s GLU 78 Cb 0.00 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.26 1jex s GLU 78 CO 0.00 -0.14 0.70 1.47 0.95 0.00 0.00 175.26 178.24 1jex n LEU 79 N 5.13 1.67 -2.87 1.83 -0.00 -1.26 -4.11 117.00 117.39 1jex n LEU 79 Ca -0.10 0.53 -0.30 0.00 -0.00 0.00 0.00 56.01 56.15 1jex n LEU 79 Cb 0.52 -1.30 -0.01 0.00 -0.00 0.00 0.00 43.42 42.62 1jex n LEU 79 CO -0.04 -2.81 -0.12 1.57 -0.00 0.00 0.00 177.39 175.99 1jex n HIS 80 N -2.90 -0.74 0.05 1.47 -0.00 -0.05 -4.69 115.22 108.37 1jex n HIS 80 Ca 0.10 0.55 -0.13 0.00 -0.00 0.00 0.00 57.72 58.24 1jex n HIS 80 Cb 0.51 -1.24 -0.03 0.00 -0.00 0.00 0.00 29.99 29.23 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 0.48 0.45 -0.44 1.57 0.13 -1.93 -1.36 132.00 130.90 1jex h PRO 81 Ca -0.21 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.45 1jex h PRO 81 Cb 0.95 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1jex h PRO 81 CO 0.35 1.10 0.19 0.22 -0.23 0.00 0.00 178.00 179.62 1jex h ASP 82 N 0.28 0.60 -0.10 1.44 1.82 -1.98 0.16 116.42 118.64 1jex h ASP 82 Ca -0.07 -0.16 -0.12 0.00 -0.39 0.00 0.00 57.03 56.29 1jex h ASP 82 Cb 1.50 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 1jex h ASP 82 CO 0.16 0.59 -0.34 0.44 -1.61 0.00 0.00 179.24 178.48 1jex h ASP 83 N 0.57 0.63 -0.63 2.28 5.19 -1.91 -0.44 116.42 122.12 1jex h ASP 83 Ca 0.15 -0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 1jex h ASP 83 Cb 0.17 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1jex h ASP 83 CO -0.01 0.92 0.15 -0.09 -3.12 0.00 0.00 179.24 177.08 1jex h ARG 84 N 0.51 1.03 0.00 3.56 1.12 -0.73 -1.46 114.38 118.42 1jex h ARG 84 Ca 0.06 -0.24 0.00 0.00 -1.11 0.00 0.00 59.98 58.68 1jex h ARG 84 Cb 0.83 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 1jex h ARG 84 CO 0.07 0.92 -0.01 0.43 -3.11 0.00 0.00 179.97 178.27 1jex n SER 85 N -4.24 0.73 0.13 -3.80 7.64 0.53 -2.90 113.62 111.71 1jex n SER 85 Ca 0.05 0.56 0.02 0.00 1.01 0.00 0.00 58.87 60.51 1jex n SER 85 Cb 0.26 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1jex n SER 85 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jex h LYS 86 N 0.00 0.00 -0.01 1.43 1.79 -0.05 -2.92 116.57 116.81 1jex h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jex h LYS 86 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1jex h LYS 86 CO 0.00 0.53 0.00 -0.89 -1.08 0.00 0.00 179.45 178.01 1jex n ILE 87 N -3.23 0.01 0.71 1.86 5.41 -0.82 -5.08 119.36 118.22 1jex n ILE 87 Ca 0.02 -0.03 0.06 0.00 1.00 0.00 0.00 62.75 63.80 1jex n ILE 87 Cb 0.75 -0.28 0.34 0.00 -0.71 0.00 0.00 39.64 39.73 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55