#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 3.48 -0.70 5.55 0.00 -1.26 -4.98 119.74 121.83 1jex s LYS 5 Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 55.97 55.57 1jex s LYS 5 Cb 0.00 -3.17 0.03 0.00 0.00 0.00 0.00 37.83 34.69 1jex s LYS 5 CO 0.00 0.75 1.26 0.71 0.00 0.00 0.00 175.35 178.07 1jex s TYR 6 N -1.10 2.37 -0.18 1.78 2.02 -1.26 -4.56 117.35 116.40 1jex s TYR 6 Ca 0.19 0.08 -0.07 0.00 -0.37 0.00 0.00 57.07 56.89 1jex s TYR 6 Cb -0.12 -4.60 -0.04 0.00 -0.40 0.00 0.00 41.96 36.80 1jex s TYR 6 CO 0.08 -1.95 0.06 1.52 -1.57 0.00 0.00 175.55 173.69 1jex s TYR 7 N 5.54 3.25 0.60 2.71 -0.85 -1.25 -4.30 117.35 123.05 1jex s TYR 7 Ca 0.37 0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.89 1jex s TYR 7 Cb -0.08 -2.08 -0.03 0.00 0.38 0.00 0.00 41.96 40.15 1jex s TYR 7 CO 0.18 0.15 0.98 0.95 -1.52 0.00 0.00 175.55 176.29 1jex s THR 8 N 0.38 4.52 0.28 -3.49 -4.23 -1.26 -0.61 115.64 111.22 1jex s THR 8 Ca 0.03 0.64 0.16 0.00 -1.18 0.00 0.00 61.69 61.34 1jex s THR 8 Cb -0.12 -3.79 0.26 0.00 1.34 0.00 0.00 72.50 70.19 1jex s THR 8 CO 0.00 -0.98 1.16 0.18 -0.54 0.00 0.00 174.62 174.45 1jex n LEU 9 N -2.68 0.25 -0.53 4.79 4.32 -1.26 0.17 117.00 122.06 1jex n LEU 9 Ca 0.05 1.22 0.41 0.00 -0.02 0.00 0.00 56.01 57.66 1jex n LEU 9 Cb 0.55 -0.59 0.63 0.00 -1.62 0.00 0.00 43.42 42.39 1jex n LEU 9 CO 0.57 -1.36 1.15 1.21 -1.22 0.00 0.00 177.39 177.73 1jex n GLU 10 N -4.64 -0.01 -0.12 3.23 2.13 -1.26 0.23 120.64 120.20 1jex n GLU 10 Ca 0.28 0.89 -0.23 0.00 0.66 0.00 0.00 57.16 58.77 1jex n GLU 10 Cb 0.96 -1.99 -0.09 0.00 0.27 0.00 0.00 31.44 30.59 1jex n GLU 10 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1jex n GLU 11 N -3.68 0.53 -0.23 5.31 -0.58 0.46 -3.46 120.64 118.99 1jex n GLU 11 Ca 0.35 0.20 0.11 0.00 -0.42 0.00 0.00 57.16 57.40 1jex n GLU 11 Cb 1.54 -1.39 0.39 0.00 -0.57 0.00 0.00 31.44 31.41 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 -0.58 0.87 0.00 -3.67 5.03 0.03 0.35 117.51 119.54 1jex h ILE 12 Ca -0.58 -0.23 -0.11 0.00 -0.12 0.00 0.00 64.86 63.82 1jex h ILE 12 Cb 1.62 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.54 1jex h ILE 12 CO -0.28 0.12 -0.66 0.06 -0.68 0.00 0.00 178.15 176.72 1jex h GLN 13 N 0.66 0.00 -0.01 2.37 3.07 0.28 -3.21 115.11 118.26 1jex h GLN 13 Ca 0.41 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 59.02 1jex h GLN 13 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 1jex h GLN 13 CO -0.17 0.42 -0.60 -0.22 0.09 0.00 0.00 178.83 178.36 1jex h LYS 14 N 0.00 0.05 -2.42 0.06 3.11 -0.49 -3.23 116.57 113.65 1jex h LYS 14 Ca -0.03 -0.03 -0.75 0.00 -2.81 0.00 0.00 60.65 57.03 1jex h LYS 14 Cb 1.39 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.44 1jex h LYS 14 CO 0.06 0.63 1.74 0.72 -2.81 0.00 0.00 179.45 179.79 1jex n HIS 15 N -3.84 2.59 -2.83 1.91 8.25 0.51 -4.73 115.22 117.08 1jex n HIS 15 Ca -0.01 -2.64 -0.34 0.00 -0.26 0.00 0.00 57.72 54.46 1jex n HIS 15 Cb 0.60 -1.56 -0.01 0.00 1.12 0.00 0.00 29.99 30.14 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 0.96 4.27 -3.62 -0.41 0.00 -1.10 -3.15 118.16 115.12 1jex n LYS 16 Ca 0.56 -4.76 -0.15 0.00 0.00 0.00 0.00 58.31 53.96 1jex n LYS 16 Cb 0.27 -2.36 -0.07 0.00 0.00 0.00 0.00 35.03 32.88 1jex n LYS 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jex s ASP 17 N -2.41 -0.44 0.26 3.14 1.01 0.80 -5.00 116.67 114.03 1jex s ASP 17 Ca 0.43 0.37 -0.10 0.00 0.71 0.00 0.00 52.55 53.96 1jex s ASP 17 Cb 0.23 0.45 0.39 0.00 1.01 0.00 0.00 42.92 45.00 1jex s ASP 17 CO -0.12 -0.57 1.53 -0.24 0.21 0.00 0.00 175.17 175.97 1jex n SER 18 N 0.93 -0.43 -0.24 0.27 2.88 -1.26 0.19 113.62 115.97 1jex n SER 18 Ca -0.20 1.69 0.04 0.00 -1.33 0.00 0.00 58.87 59.08 1jex n SER 18 Cb 0.57 -0.48 0.15 0.00 -0.75 0.00 0.00 64.21 63.71 1jex n SER 18 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1jex h LYS 19 N 0.00 0.19 -3.12 -1.46 3.11 -1.96 -3.37 116.57 109.95 1jex h LYS 19 Ca 0.44 -0.01 -0.43 0.00 -2.81 0.00 0.00 60.65 57.84 1jex h LYS 19 Cb 0.68 -0.04 -0.40 0.00 -1.00 0.00 0.00 32.23 31.47 1jex h LYS 19 CO -1.00 0.12 -0.74 0.45 -2.81 0.00 0.00 179.45 175.47 1jex s SER 20 N -5.23 1.94 -0.14 4.20 0.15 0.50 -4.93 113.70 110.19 1jex s SER 20 Ca -0.13 -0.38 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 1jex s SER 20 Cb 0.21 -0.19 0.07 0.00 -1.71 0.00 0.00 66.02 64.40 1jex s SER 20 CO 0.75 -0.32 0.23 -0.89 1.20 0.00 0.00 173.24 174.21 1jex s THR 21 N 2.15 -0.36 0.40 6.45 2.01 -1.00 -0.14 115.64 125.16 1jex s THR 21 Ca 0.03 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1jex s THR 21 Cb -0.15 -0.49 -0.00 0.00 0.01 0.00 0.00 72.50 71.87 1jex s THR 21 CO -0.07 0.02 0.02 0.79 -0.69 0.00 0.00 174.62 174.69 1jex n TRP 22 N 5.34 0.81 -3.17 4.92 8.01 -1.24 -2.06 117.44 130.06 1jex n TRP 22 Ca -0.05 -2.06 0.03 0.00 -1.31 0.00 0.00 57.50 54.10 1jex n TRP 22 Cb 0.50 -0.23 -0.02 0.00 -2.01 0.00 0.00 31.31 29.56 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 -2.55 -0.97 -0.30 -0.99 -7.23 -0.93 -4.07 120.40 103.37 1jex s VAL 23 Ca 0.03 -0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 59.91 1jex s VAL 23 Cb 0.00 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1jex s VAL 23 CO 0.02 -0.01 2.03 -0.51 -0.31 0.00 0.00 175.10 176.32 1jex s ILE 24 N 2.83 3.23 -0.05 -0.62 -1.16 -1.24 -2.75 121.20 121.44 1jex s ILE 24 Ca 0.20 0.23 0.01 0.00 -0.51 0.00 0.00 60.65 60.58 1jex s ILE 24 Cb -0.15 -3.32 0.02 0.00 0.61 0.00 0.00 42.46 39.62 1jex s ILE 24 CO -0.21 -0.22 -0.07 -1.48 -2.81 0.00 0.00 174.94 170.16 1jex s LEU 25 N 7.93 1.42 -1.45 8.50 0.05 0.20 -3.41 118.68 131.92 1jex s LEU 25 Ca 0.90 -0.18 -0.04 0.00 0.05 0.00 0.00 54.13 54.86 1jex s LEU 25 Cb -0.27 -0.56 0.00 0.00 -2.05 0.00 0.00 46.19 43.31 1jex s LEU 25 CO 0.33 -0.03 0.48 1.41 -0.55 0.00 0.00 176.35 178.00 1jex n HIS 26 N 4.00 -1.68 -0.81 3.48 8.25 -1.26 -0.24 115.22 126.96 1jex n HIS 26 Ca -0.24 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1jex n HIS 26 Cb 0.51 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.48 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 -4.36 0.00 -4.04 4.41 8.25 -1.26 -4.94 115.22 113.28 1jex n HIS 27 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 1jex n HIS 27 Cb 0.62 -0.80 -0.16 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.61 2.37 0.19 -0.41 3.01 0.67 -4.13 119.74 120.84 1jex s LYS 28 Ca 0.00 -0.74 -0.23 0.00 -1.01 0.00 0.00 55.97 54.00 1jex s LYS 28 Cb 0.00 -2.34 -0.08 0.00 -1.01 0.00 0.00 37.83 34.40 1jex s LYS 28 CO 0.00 -0.30 0.75 0.54 0.51 0.00 0.00 175.35 176.84 1jex s VAL 29 N 1.40 4.47 -0.06 3.17 0.11 -1.24 -0.63 120.40 127.62 1jex s VAL 29 Ca 0.03 1.50 0.05 0.00 -2.93 0.00 0.00 61.98 60.63 1jex s VAL 29 Cb -0.14 -4.00 -0.00 0.00 -1.53 0.00 0.00 36.38 30.70 1jex s VAL 29 CO -0.10 0.39 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.54 1jex s TYR 30 N -1.31 2.07 -1.07 1.54 1.51 -1.11 -3.16 117.35 115.82 1jex s TYR 30 Ca 0.39 -0.65 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 1jex s TYR 30 Cb -0.20 -1.38 0.11 0.00 -0.11 0.00 0.00 41.96 40.38 1jex s TYR 30 CO 0.23 -0.22 1.38 0.34 -1.11 0.00 0.00 175.55 176.17 1jex s ASP 31 N 0.03 6.72 -0.01 2.29 2.15 -1.18 -2.19 116.67 124.48 1jex s ASP 31 Ca -0.06 -2.15 0.03 0.00 0.43 0.00 0.00 52.55 50.80 1jex s ASP 31 Cb -0.13 -2.48 0.10 0.00 -0.30 0.00 0.00 42.92 40.11 1jex s ASP 31 CO 0.04 -1.14 0.99 0.18 -0.17 0.00 0.00 175.17 175.07 1jex n LEU 32 N 7.29 0.83 0.24 -1.34 4.77 -0.87 -3.59 117.00 124.33 1jex n LEU 32 Ca 0.33 -0.41 0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1jex n LEU 32 Cb 0.48 -0.18 0.66 0.00 -2.33 0.00 0.00 43.42 42.05 1jex n LEU 32 CO 0.61 0.18 0.97 0.00 -1.33 0.00 0.00 177.39 177.82 1jex h THR 33 N 0.61 0.00 0.00 -5.08 1.03 -1.72 0.95 112.91 108.70 1jex h THR 33 Ca 0.00 -0.42 -0.18 0.00 -0.01 0.00 0.00 66.41 65.80 1jex h THR 33 Cb 0.27 1.35 -0.03 0.00 -1.07 0.00 0.00 68.15 68.68 1jex h THR 33 CO 0.02 0.00 -1.11 1.17 -0.01 0.00 0.00 175.52 175.59 1jex n LYS 34 N -2.88 0.54 -0.34 0.00 3.00 -1.24 -4.16 118.16 113.09 1jex n LYS 34 Ca 0.01 0.56 0.05 0.00 -0.00 0.00 0.00 58.31 58.92 1jex n LYS 34 Cb 0.28 -1.73 0.19 0.00 0.00 0.00 0.00 35.03 33.77 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 -4.47 0.82 0.00 5.64 -0.00 -1.19 -4.25 117.46 114.00 1jex n PHE 35 Ca -0.27 -0.32 -0.10 0.00 -0.00 0.00 0.00 57.45 56.77 1jex n PHE 35 Cb 0.58 -0.18 -0.04 0.00 -0.00 0.00 0.00 39.48 39.84 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 2.08 -0.16 -1.03 -2.13 6.46 0.78 0.24 115.31 121.55 1jex h LEU 36 Ca 0.00 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.93 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1jex h LEU 36 CO 0.14 -0.07 -0.17 -0.08 -0.62 0.00 0.00 178.44 177.64 1jex h GLU 37 N -0.04 0.00 -0.00 1.25 4.81 -1.82 -2.21 114.58 116.57 1jex h GLU 37 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1jex h GLU 37 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1jex h GLU 37 CO -0.13 0.17 -0.02 0.39 -0.73 0.00 0.00 179.01 178.70 1jex n GLU 38 N -3.29 0.96 -3.45 1.92 -0.58 -0.41 -4.78 120.64 111.02 1jex n GLU 38 Ca 0.01 -0.18 -0.37 0.00 -0.42 0.00 0.00 57.16 56.20 1jex n GLU 38 Cb 0.43 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.16 3.52 -1.12 -0.32 2.46 -0.06 -4.95 115.29 112.66 1jex s HIS 39 Ca 0.40 0.77 0.22 0.00 0.47 0.00 0.00 55.06 56.92 1jex s HIS 39 Cb 0.21 -2.41 0.99 0.00 -0.13 0.00 0.00 32.58 31.24 1jex s HIS 39 CO 0.40 0.27 1.71 -0.35 -2.47 0.00 0.00 174.74 174.29 1jex n PRO 40 N 3.37 0.09 0.00 2.88 -0.04 -1.26 -4.08 135.00 135.96 1jex n PRO 40 Ca -0.10 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 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 -2.30 0.00 0.55 0.00 -1.26 -5.06 105.19 97.84 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 -0.07 1.16 0.00 -0.02 0.00 -1.26 -4.99 105.19 100.02 1jex n GLY 42 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 4.59 0.00 1.61 2.13 -1.26 -4.53 120.64 123.18 1jex n GLU 43 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1jex n GLU 43 Cb 0.00 -0.55 -0.00 0.00 0.27 0.00 0.00 31.44 31.16 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 -0.94 4.89 -0.02 5.31 0.00 -1.26 -4.39 120.64 124.23 1jex n GLU 44 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 57.16 56.99 1jex n GLU 44 Cb 0.00 -0.67 -0.13 0.00 0.00 0.00 0.00 31.44 30.65 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 -0.78 1.25 0.08 3.84 3.14 -1.26 -2.04 118.33 122.56 1jex n VAL 45 Ca 0.00 -0.75 -0.16 0.00 -2.96 0.00 0.00 64.34 60.48 1jex n VAL 45 Cb 0.02 -0.68 -0.09 0.00 -1.06 0.00 0.00 33.84 32.03 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 0.00 0.58 0.00 6.55 3.38 -1.81 -3.22 115.31 120.80 1jex h LEU 46 Ca -0.28 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1jex h LEU 46 Cb 1.83 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1jex h LEU 46 CO 0.05 1.34 -0.76 0.08 0.09 0.00 0.00 178.44 179.24 1jex h ARG 47 N 0.20 0.00 -0.14 1.13 0.11 -1.77 -3.31 114.38 110.61 1jex h ARG 47 Ca -0.12 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.00 1jex h ARG 47 Cb 1.75 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.82 1jex h ARG 47 CO 0.19 0.00 0.38 1.49 0.10 0.00 0.00 179.97 182.13 1jex h GLU 48 N 0.00 0.00 -0.01 0.08 4.22 -1.41 0.44 114.58 117.89 1jex h GLU 48 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1jex h GLU 48 Cb 0.98 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 1jex h GLU 48 CO 0.00 0.00 -0.64 1.04 -2.18 0.00 0.00 179.01 177.23 1jex n GLN 49 N -3.16 1.25 -1.68 1.92 1.13 -1.25 -4.87 117.38 110.72 1jex n GLN 49 Ca 0.01 -3.02 -0.36 0.00 -1.94 0.00 0.00 57.00 51.70 1jex n GLN 49 Cb 0.47 -1.25 -0.03 0.00 0.11 0.00 0.00 30.24 29.54 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 -0.73 6.91 0.00 -1.58 0.00 0.15 -3.50 120.51 121.76 1jex n ALA 50 Ca 0.16 -3.63 0.00 0.00 0.00 0.00 0.00 53.44 49.97 1jex n ALA 50 Cb 0.80 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 2.07 0.10 0.00 0.00 0.00 -1.26 -4.24 105.19 101.86 1jex n GLY 51 Ca 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.71 2.26 3.33 -0.02 0.00 -1.23 -4.49 105.19 104.33 1jex n GLY 52 Ca 0.00 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.33 4.79 0.17 1.61 -4.77 -1.26 -3.72 116.67 113.16 1jex s ASP 53 Ca 0.00 -0.55 0.23 0.00 -3.30 0.00 0.00 52.55 48.92 1jex s ASP 53 Cb 0.00 -1.82 -0.03 0.00 -1.09 0.00 0.00 42.92 39.98 1jex s ASP 53 CO 0.00 -0.11 0.98 0.00 0.70 0.00 0.00 175.17 176.74 1jex n ALA 54 N 4.83 2.61 -0.21 2.11 0.00 -1.22 -3.97 120.51 124.66 1jex n ALA 54 Ca -0.16 -0.28 0.30 0.00 0.00 0.00 0.00 53.44 53.31 1jex n ALA 54 Cb 0.49 -1.06 0.73 0.00 0.00 0.00 0.00 19.45 19.61 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 0.46 -0.16 0.00 1.03 -1.90 2.45 112.91 114.78 1jex h THR 55 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 1jex h THR 55 Cb 0.98 0.49 -0.00 0.00 -1.07 0.00 0.00 68.15 68.55 1jex h THR 55 CO 0.00 0.00 -0.10 1.05 -0.01 0.00 0.00 175.52 176.46 1jex h GLU 56 N 0.00 0.36 0.08 0.00 4.11 -1.92 0.22 114.58 117.43 1jex h GLU 56 Ca 0.46 -0.17 -0.26 0.00 0.07 0.00 0.00 59.36 59.46 1jex h GLU 56 Cb 1.90 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 1jex h GLU 56 CO -0.00 0.69 -1.22 -0.91 0.07 0.00 0.00 179.01 177.64 1jex h ASN 57 N 0.02 0.28 -0.57 3.06 4.21 -0.57 -2.44 115.58 119.58 1jex h ASN 57 Ca 0.03 -0.31 -0.10 0.00 1.21 0.00 0.00 56.30 57.12 1jex h ASN 57 Cb 0.60 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.69 1jex h ASN 57 CO 0.03 1.25 -0.05 0.15 -1.29 0.00 0.00 177.43 177.52 1jex h PHE 58 N 0.05 1.15 0.00 1.19 3.04 0.39 -2.55 116.94 120.21 1jex h PHE 58 Ca -0.12 -0.22 -0.03 0.00 3.98 0.00 0.00 57.97 61.59 1jex h PHE 58 Cb 1.92 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 40.13 1jex h PHE 58 CO 0.04 1.04 -0.15 1.05 -2.02 0.00 0.00 178.31 178.27 1jex h GLU 59 N 0.95 0.00 0.57 1.11 -0.00 -0.63 -3.17 114.58 113.41 1jex h GLU 59 Ca 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.49 1jex h GLU 59 Cb 0.61 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.37 1jex h GLU 59 CO 0.04 0.15 -0.27 0.22 -0.00 0.00 0.00 179.01 179.14 1jex h ASP 60 N 0.00 -0.65 0.02 3.06 3.58 -1.02 -1.99 116.42 119.42 1jex h ASP 60 Ca -0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1jex h ASP 60 Cb 1.03 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1jex h ASP 60 CO 0.02 -0.37 -0.00 1.62 -2.88 0.00 0.00 179.24 177.62 1jex h VAL 61 N -0.90 0.15 -3.95 2.25 3.04 -1.57 -3.47 116.25 111.80 1jex h VAL 61 Ca -0.08 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1jex h VAL 61 Cb 0.63 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1jex h VAL 61 CO 0.13 0.00 -0.15 0.61 -1.01 0.00 0.00 177.57 177.15 1jex n GLY 62 N -1.13 -0.88 3.76 3.17 0.00 -0.75 -4.98 105.19 104.39 1jex n GLY 62 Ca -0.03 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.03 3.28 1.09 1.61 3.76 -1.23 -5.00 115.29 116.77 1jex s HIS 63 Ca 0.08 1.55 -0.12 0.00 -0.15 0.00 0.00 55.06 56.41 1jex s HIS 63 Cb -0.02 -3.49 0.24 0.00 1.11 0.00 0.00 32.58 30.41 1jex s HIS 63 CO 0.32 -1.26 1.06 0.45 -0.85 0.00 0.00 174.74 174.45 1jex s SER 64 N -0.68 1.68 0.01 1.40 0.15 -1.26 -4.88 113.70 110.11 1jex s SER 64 Ca 0.47 1.52 0.20 0.00 0.70 0.00 0.00 55.95 58.85 1jex s SER 64 Cb -0.36 -2.23 0.87 0.00 -1.71 0.00 0.00 66.02 62.58 1jex s SER 64 CO 0.47 -3.77 1.65 1.07 1.20 0.00 0.00 173.24 173.87 1jex n THR 65 N -4.63 0.61 1.42 6.45 5.66 -1.26 -1.85 114.28 120.69 1jex n THR 65 Ca 0.05 0.15 0.14 0.00 -3.05 0.00 0.00 64.05 61.33 1jex n THR 65 Cb 0.55 -0.81 0.56 0.00 -1.55 0.00 0.00 70.33 69.07 1jex n THR 65 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1jex n ASP 66 N -1.53 0.77 0.09 1.09 5.75 -1.26 -3.52 116.55 117.94 1jex n ASP 66 Ca 0.05 -0.86 -0.19 0.00 -0.01 0.00 0.00 54.79 53.78 1jex n ASP 66 Cb 0.24 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.19 1jex n ASP 66 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jex h VAL 67 N 1.02 1.23 0.00 2.12 2.07 -1.71 -1.36 116.25 119.62 1jex h VAL 67 Ca 0.00 -2.80 -0.03 0.00 0.82 0.00 0.00 66.70 64.69 1jex h VAL 67 Cb 0.40 2.86 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1jex h VAL 67 CO 0.00 0.84 -0.17 -0.09 0.02 0.00 0.00 177.57 178.17 1jex h ARG 68 N 0.09 0.00 0.00 1.57 2.43 -1.70 -2.21 114.38 114.56 1jex h ARG 68 Ca -0.24 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.68 1jex h ARG 68 Cb 2.05 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.56 1jex h ARG 68 CO 0.20 0.17 -1.62 -0.85 -1.51 0.00 0.00 179.97 176.35 1jex n GLU 69 N -4.26 0.63 0.03 0.20 0.28 -1.23 -4.27 120.64 112.02 1jex n GLU 69 Ca -0.02 0.26 -0.16 0.00 -0.16 0.00 0.00 57.16 57.08 1jex n GLU 69 Cb 0.23 -1.79 -0.10 0.00 1.43 0.00 0.00 31.44 31.22 1jex n GLU 69 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jex h LEU 70 N 0.00 -1.68 -9.26 -1.84 7.12 -0.60 -3.38 115.31 105.68 1jex h LEU 70 Ca -0.25 0.19 -0.56 0.00 0.13 0.00 0.00 57.88 57.40 1jex h LEU 70 Cb 1.86 0.64 -0.03 0.00 -0.53 0.00 0.00 40.66 42.61 1jex h LEU 70 CO 0.07 -0.51 0.76 -0.44 -0.13 0.00 0.00 178.44 178.18 1jex s SER 71 N -4.79 7.03 0.17 1.25 0.01 -1.15 -4.80 113.70 111.41 1jex s SER 71 Ca -0.16 1.76 0.00 0.00 1.31 0.00 0.00 55.95 58.86 1jex s SER 71 Cb 0.07 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1jex s SER 71 CO 0.61 -0.63 0.00 0.29 0.41 0.00 0.00 173.24 173.92 1jex n LYS 72 N 5.62 0.00 0.09 12.44 4.76 -1.26 -4.83 118.16 134.98 1jex n LYS 72 Ca 0.12 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 1jex n LYS 72 Cb 0.46 -0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.64 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1jex h THR 73 N 0.00 1.55 -0.72 -0.18 2.02 -1.95 -3.21 112.91 110.42 1jex h THR 73 Ca 0.00 -2.88 -0.03 0.00 0.77 0.00 0.00 66.41 64.27 1jex h THR 73 Cb 0.00 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1jex h THR 73 CO 0.00 0.81 0.34 1.88 0.37 0.00 0.00 175.52 178.93 1jex h TYR 74 N 0.00 1.02 -0.95 3.16 0.05 -1.90 -3.44 116.97 114.91 1jex h TYR 74 Ca -0.01 -0.04 -0.63 0.00 0.05 0.00 0.00 58.73 58.09 1jex h TYR 74 Cb 1.51 -0.32 0.10 0.00 1.01 0.00 0.00 36.73 39.03 1jex h TYR 74 CO 0.00 0.75 -0.51 -0.89 -1.05 0.00 0.00 178.16 176.46 1jex n ILE 75 N -4.33 1.88 -0.14 -2.88 2.08 -1.21 -3.13 119.36 111.64 1jex n ILE 75 Ca 0.07 -0.47 -0.28 0.00 0.56 0.00 0.00 62.75 62.62 1jex n ILE 75 Cb 0.14 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.92 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 1.53 0.00 1.39 -5.35 -1.19 -4.76 119.36 110.97 1jex n ILE 76 Ca 0.17 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1jex n ILE 76 Cb 0.24 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.32 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 1.41 -0.81 3.53 3.28 0.00 -1.22 -4.91 105.19 106.46 1jex n GLY 77 Ca -0.53 0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.45 0.77 1.61 -1.05 -1.26 -3.72 118.70 115.50 1jex s GLU 78 Ca 0.00 1.13 -0.14 0.00 -0.15 0.00 0.00 54.97 55.81 1jex s GLU 78 Cb 0.00 0.68 0.06 0.00 -0.44 0.00 0.00 34.13 34.43 1jex s GLU 78 CO 0.00 -0.17 1.20 -0.48 0.95 0.00 0.00 175.26 176.76 1jex s LEU 79 N 2.71 3.22 0.06 1.83 -0.00 -1.26 -3.86 118.68 121.37 1jex s LEU 79 Ca -0.04 2.34 -0.21 0.00 -0.00 0.00 0.00 54.13 56.22 1jex s LEU 79 Cb -0.10 -4.59 -0.11 0.00 -0.00 0.00 0.00 46.19 41.39 1jex s LEU 79 CO -0.18 -2.45 0.50 1.57 -0.00 0.00 0.00 176.35 175.79 1jex n HIS 80 N -3.03 0.07 0.33 3.48 -0.00 0.22 -4.68 115.22 111.61 1jex n HIS 80 Ca 0.13 0.63 0.14 0.00 -0.00 0.00 0.00 57.72 58.62 1jex n HIS 80 Cb 0.50 -1.25 0.44 0.00 -0.00 0.00 0.00 29.99 29.68 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 1.28 0.00 0.18 1.57 0.13 -1.92 -0.82 132.00 132.41 1jex h PRO 81 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 1jex h PRO 81 Cb 0.88 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.03 1jex h PRO 81 CO 0.38 0.00 -1.33 0.22 -0.23 0.00 0.00 178.00 177.03 1jex h ASP 82 N 0.00 0.58 1.09 1.44 3.58 -2.00 -3.08 116.42 118.03 1jex h ASP 82 Ca 0.00 -0.62 -0.18 0.00 0.42 0.00 0.00 57.03 56.64 1jex h ASP 82 Cb 0.69 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1jex h ASP 82 CO 0.00 1.49 -0.88 0.44 -2.88 0.00 0.00 179.24 177.41 1jex h ASP 83 N 0.10 0.00 -0.38 2.28 5.19 -1.87 -2.83 116.42 118.91 1jex h ASP 83 Ca -0.18 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1jex h ASP 83 Cb 2.05 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.54 1jex h ASP 83 CO 0.23 0.88 0.12 -0.09 -3.12 0.00 0.00 179.24 177.26 1jex h ARG 84 N 0.00 0.67 0.00 3.56 1.12 -1.19 -0.68 114.38 117.86 1jex h ARG 84 Ca -0.01 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1jex h ARG 84 Cb 1.66 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.51 1jex h ARG 84 CO 0.11 0.60 -0.36 0.45 -3.11 0.00 0.00 179.97 177.67 1jex n SER 85 N -4.31 0.48 0.08 -3.80 2.88 -1.17 -3.53 113.62 104.25 1jex n SER 85 Ca 0.03 0.14 -0.15 0.00 -1.33 0.00 0.00 58.87 57.56 1jex n SER 85 Cb 0.20 -0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 63.43 1jex n SER 85 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1jex h LYS 86 N 0.00 0.24 0.00 -1.46 1.79 -0.92 -3.12 116.57 113.09 1jex h LYS 86 Ca 0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1jex h LYS 86 Cb 0.60 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1jex h LYS 86 CO 0.00 1.15 0.00 -0.89 -1.08 0.00 0.00 179.45 178.63 1jex n ILE 87 N -3.48 1.05 0.00 1.86 5.41 -0.42 -5.09 119.36 118.70 1jex n ILE 87 Ca -0.11 0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.92 1jex n ILE 87 Cb 1.03 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55