#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 4.12 -0.72 5.55 1.02 -1.26 -4.98 119.74 123.46 1jex s LYS 5 Ca 0.00 0.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.99 1jex s LYS 5 Cb 0.00 -3.60 0.06 0.00 -0.52 0.00 0.00 37.83 33.78 1jex s LYS 5 CO 0.00 -0.19 1.08 0.71 -0.92 0.00 0.00 175.35 176.04 1jex s TYR 6 N 1.78 2.59 -0.19 3.18 2.02 -1.25 -4.40 117.35 121.08 1jex s TYR 6 Ca 0.20 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 1jex s TYR 6 Cb -0.15 -4.40 -0.04 0.00 -0.40 0.00 0.00 41.96 36.97 1jex s TYR 6 CO 0.09 -1.77 0.05 1.52 -1.57 0.00 0.00 175.55 173.87 1jex s TYR 7 N 4.46 3.19 0.79 2.71 -0.85 0.66 -4.72 117.35 123.59 1jex s TYR 7 Ca 0.27 -0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.66 1jex s TYR 7 Cb -0.13 -2.08 0.06 0.00 0.38 0.00 0.00 41.96 40.20 1jex s TYR 7 CO 0.09 0.06 1.10 0.95 -1.52 0.00 0.00 175.55 176.24 1jex s THR 8 N 0.52 3.03 0.50 -3.49 -4.23 -1.01 -3.82 115.64 107.14 1jex s THR 8 Ca 0.02 0.34 0.39 0.00 -1.18 0.00 0.00 61.69 61.25 1jex s THR 8 Cb -0.13 -3.15 0.59 0.00 1.34 0.00 0.00 72.50 71.15 1jex s THR 8 CO 0.01 -0.44 1.63 -0.07 -0.54 0.00 0.00 174.62 175.22 1jex h LEU 9 N -1.02 0.12 -1.63 4.79 4.07 -1.93 1.95 115.31 121.66 1jex h LEU 9 Ca -0.47 0.06 0.05 0.00 0.08 0.00 0.00 57.88 57.61 1jex h LEU 9 Cb 1.27 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 1jex h LEU 9 CO 0.61 -0.08 0.52 -0.08 -1.08 0.00 0.00 178.44 178.33 1jex h GLU 10 N 0.05 0.00 0.00 1.13 4.81 -1.97 1.58 114.58 120.17 1jex h GLU 10 Ca 0.83 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.90 1jex h GLU 10 Cb 2.98 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.33 1jex h GLU 10 CO -0.20 0.00 -1.45 0.39 -0.73 0.00 0.00 179.01 177.02 1jex n GLU 11 N -3.07 0.54 -0.19 1.92 -0.58 0.66 -4.22 120.64 115.71 1jex n GLU 11 Ca 0.03 0.28 0.11 0.00 -0.42 0.00 0.00 57.16 57.16 1jex n GLU 11 Cb 0.62 -1.49 0.42 0.00 -0.57 0.00 0.00 31.44 30.41 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 -1.00 0.89 -0.84 -3.67 5.03 -1.25 0.15 117.51 116.82 1jex h ILE 12 Ca -0.24 -0.20 0.11 0.00 -0.12 0.00 0.00 64.86 64.41 1jex h ILE 12 Cb 1.16 0.24 -0.06 0.00 -3.03 0.00 0.00 36.82 35.13 1jex h ILE 12 CO -0.15 0.11 0.55 1.56 -0.68 0.00 0.00 178.15 179.54 1jex h GLN 13 N 0.60 0.72 0.00 2.37 1.08 0.20 0.74 115.11 120.83 1jex h GLN 13 Ca 0.36 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1jex h GLN 13 Cb 0.60 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1jex h GLN 13 CO -0.13 0.48 0.00 -0.22 -0.95 0.00 0.00 178.83 178.00 1jex h LYS 14 N 0.75 0.00 -1.82 1.46 3.64 -0.87 -3.14 116.57 116.58 1jex h LYS 14 Ca 0.40 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 59.05 1jex h LYS 14 Cb 0.52 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.04 1jex h LYS 14 CO -0.17 0.00 0.67 0.72 -2.27 0.00 0.00 179.45 178.41 1jex n HIS 15 N -2.31 3.08 -2.20 1.91 8.25 0.26 -4.68 115.22 119.53 1jex n HIS 15 Ca 0.04 -2.52 -0.33 0.00 -0.26 0.00 0.00 57.72 54.64 1jex n HIS 15 Cb 0.34 -0.98 0.02 0.00 1.12 0.00 0.00 29.99 30.49 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 -0.56 3.10 -3.96 -0.41 4.81 -1.18 -3.47 118.16 116.49 1jex n LYS 16 Ca 0.51 -4.02 -0.10 0.00 -0.87 0.00 0.00 58.31 53.84 1jex n LYS 16 Cb 0.35 -2.26 -0.06 0.00 0.02 0.00 0.00 35.03 33.08 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 -2.34 -0.01 0.21 3.14 2.15 -1.16 -5.01 116.67 113.64 1jex s ASP 17 Ca 0.50 -0.87 -0.10 0.00 0.43 0.00 0.00 52.55 52.51 1jex s ASP 17 Cb 0.42 0.48 0.28 0.00 -0.30 0.00 0.00 42.92 43.80 1jex s ASP 17 CO -0.30 -0.96 1.72 0.77 -0.17 0.00 0.00 175.17 176.23 1jex h SER 18 N 2.45 0.05 -0.66 -0.34 4.64 -1.93 -1.56 113.55 116.21 1jex h SER 18 Ca -0.30 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1jex h SER 18 Cb 1.24 0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.35 1jex h SER 18 CO 0.44 0.04 -0.48 0.50 -0.87 0.00 0.00 176.83 176.46 1jex h LYS 19 N 0.29 -0.19 -2.91 4.77 3.64 -1.96 -3.36 116.57 116.84 1jex h LYS 19 Ca 0.30 0.01 -0.52 0.00 -1.27 0.00 0.00 60.65 59.18 1jex h LYS 19 Cb 0.43 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 31.89 1jex h LYS 19 CO -0.37 -0.13 -0.77 0.45 -2.27 0.00 0.00 179.45 176.36 1jex s SER 20 N -5.22 3.26 -0.13 4.20 0.15 -0.65 -4.90 113.70 110.40 1jex s SER 20 Ca -0.14 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.39 1jex s SER 20 Cb 0.13 -0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.10 1jex s SER 20 CO 0.65 -0.41 -0.14 -0.89 1.20 0.00 0.00 173.24 173.65 1jex s THR 21 N 2.08 1.48 0.50 6.45 2.01 -0.80 -2.99 115.64 124.37 1jex s THR 21 Ca 0.07 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1jex s THR 21 Cb -0.16 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 1jex s THR 21 CO -0.29 0.44 0.03 0.26 -0.69 0.00 0.00 174.62 174.38 1jex s TRP 22 N 1.40 1.78 -0.28 4.92 0.51 -1.23 -2.68 118.94 123.36 1jex s TRP 22 Ca 0.02 -1.07 0.00 0.00 -2.12 0.00 0.00 56.10 52.93 1jex s TRP 22 Cb -0.13 -1.49 0.17 0.00 -0.81 0.00 0.00 33.47 31.21 1jex s TRP 22 CO -0.08 0.08 0.51 0.14 -0.51 0.00 0.00 176.95 177.09 1jex s VAL 23 N -2.96 -0.85 -0.34 4.03 -7.23 -1.01 -3.97 120.40 108.08 1jex s VAL 23 Ca 0.06 -0.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.90 1jex s VAL 23 Cb 0.01 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1jex s VAL 23 CO 0.04 -0.07 2.07 -0.51 -0.31 0.00 0.00 175.10 176.32 1jex s ILE 24 N 2.73 3.20 -0.00 -0.62 -1.16 -1.24 -2.86 121.20 121.25 1jex s ILE 24 Ca 0.16 0.19 0.03 0.00 -0.51 0.00 0.00 60.65 60.52 1jex s ILE 24 Cb -0.14 -3.32 -0.01 0.00 0.61 0.00 0.00 42.46 39.60 1jex s ILE 24 CO -0.21 -0.23 -0.11 -1.48 -2.81 0.00 0.00 174.94 170.09 1jex s LEU 25 N 8.49 2.04 -1.39 8.50 0.05 -0.06 -3.45 118.68 132.86 1jex s LEU 25 Ca 0.90 -0.23 -0.07 0.00 0.05 0.00 0.00 54.13 54.77 1jex s LEU 25 Cb -0.25 -0.55 0.04 0.00 -2.05 0.00 0.00 46.19 43.38 1jex s LEU 25 CO 0.32 0.11 0.54 1.57 -0.55 0.00 0.00 176.35 178.34 1jex n HIS 26 N 2.68 -1.87 -1.02 3.48 -0.00 -1.26 0.17 115.22 117.39 1jex n HIS 26 Ca -0.14 0.49 -0.01 0.00 -0.00 0.00 0.00 57.72 58.06 1jex n HIS 26 Cb 0.56 -3.60 -0.00 0.00 -0.00 0.00 0.00 29.99 26.95 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 -4.17 0.00 -3.84 1.57 8.25 -1.26 -4.94 115.22 110.83 1jex n HIS 27 Ca -0.06 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 1jex n HIS 27 Cb 0.57 -1.39 -0.17 0.00 1.12 0.00 0.00 29.99 30.13 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 -1.42 1.14 0.23 -0.41 1.02 0.44 -4.54 119.74 116.19 1jex s LYS 28 Ca 0.00 -0.31 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1jex s LYS 28 Cb 0.00 -1.70 -0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1jex s LYS 28 CO 0.00 -0.40 0.85 0.54 -0.92 0.00 0.00 175.35 175.42 1jex s VAL 29 N 1.76 4.28 -0.04 3.17 0.11 -1.08 -0.88 120.40 127.71 1jex s VAL 29 Ca 0.02 1.79 0.07 0.00 -2.93 0.00 0.00 61.98 60.93 1jex s VAL 29 Cb -0.14 -4.13 -0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1jex s VAL 29 CO -0.07 0.40 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.54 1jex s TYR 30 N -1.30 2.41 -1.16 1.54 1.51 -1.14 -2.88 117.35 116.33 1jex s TYR 30 Ca 0.41 -0.56 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 1jex s TYR 30 Cb -0.22 -1.56 0.20 0.00 -0.11 0.00 0.00 41.96 40.27 1jex s TYR 30 CO 0.27 -0.12 1.32 0.34 -1.11 0.00 0.00 175.55 176.25 1jex s ASP 31 N -0.39 7.10 -0.07 2.29 2.15 -1.10 -2.40 116.67 124.25 1jex s ASP 31 Ca 0.03 -3.08 0.04 0.00 0.43 0.00 0.00 52.55 49.97 1jex s ASP 31 Cb -0.12 -2.35 0.25 0.00 -0.30 0.00 0.00 42.92 40.41 1jex s ASP 31 CO 0.01 -0.65 0.89 0.00 -0.17 0.00 0.00 175.17 175.26 1jex n LEU 32 N 4.93 2.48 0.25 -1.34 -0.00 -1.14 -3.90 117.00 118.27 1jex n LEU 32 Ca 0.32 -1.25 0.13 0.00 -0.00 0.00 0.00 56.01 55.21 1jex n LEU 32 Cb 0.42 -0.56 0.62 0.00 -0.00 0.00 0.00 43.42 43.90 1jex n LEU 32 CO 0.57 0.37 0.91 0.00 -0.00 0.00 0.00 177.39 179.24 1jex h THR 33 N 1.23 0.35 0.00 1.47 1.03 -1.81 0.69 112.91 115.87 1jex h THR 33 Ca 0.00 -0.76 -0.19 0.00 -0.01 0.00 0.00 66.41 65.44 1jex h THR 33 Cb 0.96 1.57 -0.03 0.00 -1.07 0.00 0.00 68.15 69.58 1jex h THR 33 CO 0.15 0.12 -1.14 0.50 -0.01 0.00 0.00 175.52 175.14 1jex h LYS 34 N 0.00 0.00 -0.13 0.00 1.63 -1.90 -3.35 116.57 112.82 1jex h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1jex h LYS 34 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1jex h LYS 34 CO 0.02 0.84 0.00 0.34 -3.45 0.00 0.00 179.45 177.19 1jex n PHE 35 N -4.46 0.16 -0.25 1.91 -0.00 -1.20 -3.96 117.46 109.65 1jex n PHE 35 Ca -0.28 -0.08 0.02 0.00 -0.00 0.00 0.00 57.45 57.11 1jex n PHE 35 Cb 0.61 -0.00 0.14 0.00 -0.00 0.00 0.00 39.48 40.23 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 0.69 0.51 -0.29 -2.13 6.46 0.27 0.23 115.31 121.04 1jex h LEU 36 Ca 0.00 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.16 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1jex h LEU 36 CO 0.00 0.29 -0.29 -0.08 -0.62 0.00 0.00 178.44 177.75 1jex h GLU 37 N 0.64 0.00 -0.00 1.25 4.22 -1.83 -2.87 114.58 115.99 1jex h GLU 37 Ca 0.36 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.80 1jex h GLU 37 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1jex h GLU 37 CO -0.26 0.29 -0.05 0.39 -2.18 0.00 0.00 179.01 177.20 1jex n GLU 38 N -3.22 0.50 -3.13 1.92 1.02 0.41 -4.78 120.64 113.36 1jex n GLU 38 Ca 0.02 -0.08 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 1jex n GLU 38 Cb 0.60 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.47 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jex s HIS 39 N -2.55 3.58 -1.29 -0.32 2.46 0.52 -4.93 115.29 112.76 1jex s HIS 39 Ca 0.28 1.17 0.22 0.00 0.47 0.00 0.00 55.06 57.21 1jex s HIS 39 Cb 0.20 -2.72 1.08 0.00 -0.13 0.00 0.00 32.58 31.01 1jex s HIS 39 CO 0.47 0.15 1.73 -0.35 -2.47 0.00 0.00 174.74 174.27 1jex n PRO 40 N 3.57 0.22 0.00 2.88 -0.04 -1.26 -4.10 135.00 136.27 1jex n PRO 40 Ca -0.03 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 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 0.69 -1.43 0.00 0.55 0.00 -1.26 -5.07 105.19 98.66 1jex n GLY 41 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.55 1.14 0.00 -0.02 0.00 -1.26 -5.01 105.19 100.59 1jex n GLY 42 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.52 -0.13 1.61 2.13 -1.26 -4.53 120.64 118.98 1jex n GLU 43 Ca 0.00 -0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1jex n GLU 43 Cb 0.00 -1.01 0.13 0.00 0.27 0.00 0.00 31.44 30.83 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 -1.58 2.13 -0.13 5.31 0.00 -1.26 -4.31 120.64 120.80 1jex n GLU 44 Ca -0.00 -1.80 -0.23 0.00 0.00 0.00 0.00 57.16 55.13 1jex n GLU 44 Cb 0.07 -1.27 -0.11 0.00 0.00 0.00 0.00 31.44 30.13 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 0.63 1.49 0.38 3.84 3.14 -1.26 -3.38 118.33 123.17 1jex n VAL 45 Ca 0.11 -0.49 -0.18 0.00 -2.96 0.00 0.00 64.34 60.82 1jex n VAL 45 Cb 0.39 -1.60 -0.09 0.00 -1.06 0.00 0.00 33.84 31.49 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 -0.40 -0.81 -1.75 6.55 3.38 -1.80 -2.46 115.31 118.02 1jex h LEU 46 Ca -0.62 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1jex h LEU 46 Cb 1.78 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1jex h LEU 46 CO -0.22 -0.55 -0.17 0.08 0.09 0.00 0.00 178.44 177.66 1jex h ARG 47 N -0.99 0.00 -1.40 1.13 0.11 -1.81 -2.48 114.38 108.95 1jex h ARG 47 Ca -0.10 0.00 0.41 0.00 0.10 0.00 0.00 59.98 60.39 1jex h ARG 47 Cb 0.74 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.76 1jex h ARG 47 CO 0.16 0.17 1.04 1.49 0.10 0.00 0.00 179.97 182.93 1jex h GLU 48 N 0.00 0.00 -0.02 0.08 4.22 -1.45 1.54 114.58 118.95 1jex h GLU 48 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1jex h GLU 48 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1jex h GLU 48 CO 0.02 0.00 -0.51 1.04 -2.18 0.00 0.00 179.01 177.38 1jex n GLN 49 N -4.02 1.62 -1.77 1.92 1.13 -0.93 -4.85 117.38 110.47 1jex n GLN 49 Ca 0.31 -3.32 -0.40 0.00 -1.94 0.00 0.00 57.00 51.65 1jex n GLN 49 Cb 1.49 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 30.21 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 -1.09 7.06 0.00 -1.58 0.00 0.52 -3.50 120.51 121.92 1jex n ALA 50 Ca 0.19 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.73 1jex n ALA 50 Cb 0.70 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 2.31 0.12 0.00 0.00 0.00 -1.26 -4.12 105.19 102.23 1jex n GLY 51 Ca 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.79 3.10 3.33 -0.02 0.00 -1.23 -4.80 105.19 104.78 1jex n GLY 52 Ca 0.00 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 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 0.05 4.89 0.10 1.61 -4.77 -1.26 -3.68 116.67 113.61 1jex s ASP 53 Ca 0.00 -0.64 0.24 0.00 -3.30 0.00 0.00 52.55 48.84 1jex s ASP 53 Cb 0.00 -1.83 0.22 0.00 -1.09 0.00 0.00 42.92 40.21 1jex s ASP 53 CO 0.00 -0.14 1.19 0.00 0.70 0.00 0.00 175.17 176.92 1jex n ALA 54 N 4.83 3.07 -0.09 2.11 0.00 -1.22 -3.95 120.51 125.25 1jex n ALA 54 Ca -0.15 -0.30 0.26 0.00 0.00 0.00 0.00 53.44 53.24 1jex n ALA 54 Cb 0.48 -1.09 0.70 0.00 0.00 0.00 0.00 19.45 19.54 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 0.36 -0.14 0.00 1.03 -1.90 2.51 112.91 114.76 1jex h THR 55 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.26 1jex h THR 55 Cb 0.76 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1jex h THR 55 CO 0.00 0.00 -0.46 1.05 -0.01 0.00 0.00 175.52 176.10 1jex h GLU 56 N 0.00 0.56 0.05 0.00 4.11 -1.93 0.74 114.58 118.11 1jex h GLU 56 Ca 0.36 -0.41 -0.26 0.00 0.07 0.00 0.00 59.36 59.12 1jex h GLU 56 Cb 1.72 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 1jex h GLU 56 CO -0.00 1.03 -1.30 -0.91 0.07 0.00 0.00 179.01 177.91 1jex h ASN 57 N 0.19 0.17 -0.41 3.06 4.21 -0.24 -2.58 115.58 119.98 1jex h ASN 57 Ca -0.02 -0.22 -0.15 0.00 1.21 0.00 0.00 56.30 57.13 1jex h ASN 57 Cb 1.08 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1jex h ASN 57 CO 0.10 1.18 -0.31 0.15 -1.29 0.00 0.00 177.43 177.25 1jex h PHE 58 N 0.03 1.12 0.00 1.19 3.04 0.40 -2.77 116.94 119.95 1jex h PHE 58 Ca -0.14 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1jex h PHE 58 Cb 1.91 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 40.17 1jex h PHE 58 CO 0.03 1.13 0.00 1.05 -2.02 0.00 0.00 178.31 178.50 1jex h GLU 59 N 0.80 0.00 0.44 1.11 -0.00 -0.93 -3.16 114.58 112.84 1jex h GLU 59 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.42 1jex h GLU 59 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.65 1jex h GLU 59 CO 0.08 0.00 -0.21 0.22 -0.00 0.00 0.00 179.01 179.10 1jex h ASP 60 N 0.00 -0.50 0.17 3.06 3.58 -1.18 -2.35 116.42 119.20 1jex h ASP 60 Ca 0.00 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1jex h ASP 60 Cb 0.90 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 1jex h ASP 60 CO 0.00 -0.19 -0.00 1.62 -2.88 0.00 0.00 179.24 177.79 1jex h VAL 61 N -0.83 0.02 -4.47 2.25 3.04 -1.58 -3.47 116.25 111.21 1jex h VAL 61 Ca -0.06 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 1jex h VAL 61 Cb 0.56 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1jex h VAL 61 CO 0.10 0.00 -0.34 0.61 -1.01 0.00 0.00 177.57 176.93 1jex n GLY 62 N -0.90 -1.27 3.74 3.17 0.00 -0.89 -4.95 105.19 104.09 1jex n GLY 62 Ca -0.02 0.75 -0.41 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.98 3.29 1.16 1.61 3.76 -1.24 -4.99 115.29 116.90 1jex s HIS 63 Ca 0.15 1.30 -0.17 0.00 -0.15 0.00 0.00 55.06 56.19 1jex s HIS 63 Cb -0.04 -3.56 0.17 0.00 1.11 0.00 0.00 32.58 30.27 1jex s HIS 63 CO 0.50 -1.67 0.32 0.45 -0.85 0.00 0.00 174.74 173.49 1jex n SER 64 N 2.41 -2.28 0.20 1.40 2.88 -1.26 -4.82 113.62 112.15 1jex n SER 64 Ca 0.05 -0.18 0.07 0.00 -1.33 0.00 0.00 58.87 57.48 1jex n SER 64 Cb 0.43 -1.03 0.41 0.00 -0.75 0.00 0.00 64.21 63.27 1jex n SER 64 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1jex h THR 65 N -2.34 0.81 0.00 2.46 2.02 -2.04 -1.95 112.91 111.88 1jex h THR 65 Ca -0.56 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1jex h THR 65 Cb 1.35 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1jex h THR 65 CO 0.41 0.31 0.00 -0.90 0.37 0.00 0.00 175.52 175.71 1jex n ASP 66 N -3.57 0.00 0.14 4.18 5.68 -1.26 -1.92 116.55 119.80 1jex n ASP 66 Ca -0.00 0.49 -0.01 0.00 -0.50 0.00 0.00 54.79 54.77 1jex n ASP 66 Cb 0.45 -0.49 0.22 0.00 -1.14 0.00 0.00 41.12 40.16 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 1jex h VAL 67 N 0.00 1.37 -0.50 2.12 3.04 -1.67 -2.76 116.25 117.87 1jex h VAL 67 Ca 0.00 -1.80 -0.04 0.00 -1.01 0.00 0.00 66.70 63.85 1jex h VAL 67 Cb 0.26 1.95 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 1jex h VAL 67 CO 0.00 0.52 0.16 -0.09 -1.01 0.00 0.00 177.57 177.15 1jex h ARG 68 N 0.05 0.73 -0.97 4.17 2.43 -1.55 -1.62 114.38 117.62 1jex h ARG 68 Ca -0.00 -0.12 -0.46 0.00 -0.81 0.00 0.00 59.98 58.59 1jex h ARG 68 Cb 0.95 -0.12 -0.27 0.00 -0.42 0.00 0.00 29.97 30.10 1jex h ARG 68 CO 0.07 0.63 0.58 -0.85 -1.51 0.00 0.00 179.97 178.89 1jex n GLU 69 N -4.32 2.41 -0.03 0.20 0.28 -1.05 -4.44 120.64 113.68 1jex n GLU 69 Ca 0.04 -2.89 -0.02 0.00 -0.16 0.00 0.00 57.16 54.13 1jex n GLU 69 Cb 0.19 -2.14 -0.01 0.00 1.43 0.00 0.00 31.44 30.91 1jex n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1jex n LEU 70 N -0.94 0.59 -3.68 -1.84 -0.00 -0.61 -4.63 117.00 105.90 1jex n LEU 70 Ca 0.55 0.18 -0.41 0.00 -0.00 0.00 0.00 56.01 56.32 1jex n LEU 70 Cb 1.59 -0.59 -0.00 0.00 -0.00 0.00 0.00 43.42 44.42 1jex n LEU 70 CO 0.56 -0.45 2.44 -1.20 -0.00 0.00 0.00 177.39 178.75 1jex n SER 71 N -3.08 5.85 -0.03 1.96 7.64 -1.25 -4.62 113.62 120.09 1jex n SER 71 Ca -0.04 -2.97 -0.12 0.00 1.01 0.00 0.00 58.87 56.75 1jex n SER 71 Cb 0.14 -1.52 -0.10 0.00 -1.01 0.00 0.00 64.21 61.72 1jex n SER 71 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jex h LYS 72 N 5.49 -0.04 0.11 1.43 1.57 -1.83 -3.23 116.57 120.07 1jex h LYS 72 Ca 0.57 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 59.05 1jex h LYS 72 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1jex h LYS 72 CO 1.69 0.66 -1.59 1.15 -0.57 0.00 0.00 179.45 180.79 1jex h THR 73 N -0.85 0.90 -1.17 -0.16 2.02 -1.98 -3.34 112.91 108.32 1jex h THR 73 Ca -0.00 -2.37 0.36 0.00 0.77 0.00 0.00 66.41 65.16 1jex h THR 73 Cb 0.72 2.61 -0.12 0.00 -1.74 0.00 0.00 68.15 69.62 1jex h THR 73 CO 0.01 0.73 0.74 1.88 0.37 0.00 0.00 175.52 179.25 1jex h TYR 74 N -0.23 0.63 -1.05 3.16 0.05 -1.87 -3.42 116.97 114.25 1jex h TYR 74 Ca -0.35 0.03 -0.64 0.00 0.05 0.00 0.00 58.73 57.82 1jex h TYR 74 Cb 1.83 -0.17 0.11 0.00 1.01 0.00 0.00 36.73 39.51 1jex h TYR 74 CO 0.11 -0.12 -0.56 -0.89 -1.05 0.00 0.00 178.16 175.64 1jex n ILE 75 N -4.74 1.74 -0.10 -2.88 2.08 -1.22 -2.70 119.36 111.55 1jex n ILE 75 Ca 0.32 -0.48 -0.17 0.00 0.56 0.00 0.00 62.75 62.98 1jex n ILE 75 Cb 1.18 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 39.99 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 -0.14 1.07 0.00 1.39 -5.35 -1.14 -4.73 119.36 110.46 1jex n ILE 76 Ca 0.16 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1jex n ILE 76 Cb 0.26 -1.48 0.00 0.00 -1.74 0.00 0.00 39.64 36.68 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 2.16 -0.02 3.05 3.28 0.00 -1.19 -4.75 105.19 107.73 1jex n GLY 77 Ca -0.36 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 0.18 0.29 1.61 -1.05 -1.26 -2.63 118.70 115.84 1jex s GLU 78 Ca 0.00 0.77 -0.00 0.00 -0.15 0.00 0.00 54.97 55.58 1jex s GLU 78 Cb 0.00 0.01 0.67 0.00 -0.44 0.00 0.00 34.13 34.37 1jex s GLU 78 CO 0.00 -0.27 1.60 1.37 0.95 0.00 0.00 175.26 178.92 1jex h LEU 79 N 8.14 -0.35 0.00 1.83 -0.00 -1.80 -3.22 115.31 119.91 1jex h LEU 79 Ca -0.17 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1jex h LEU 79 Cb 1.12 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 42.19 1jex h LEU 79 CO 0.16 -0.27 0.00 1.57 -0.00 0.00 0.00 178.44 179.90 1jex n HIS 80 N -5.40 0.00 0.13 0.17 -0.00 -1.25 0.24 115.22 109.11 1jex n HIS 80 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.92 1jex n HIS 80 Cb 0.68 0.00 0.13 0.00 -0.00 0.00 0.00 29.99 30.80 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 0.00 0.00 0.00 1.57 0.13 -1.94 -0.50 132.00 131.27 1jex h PRO 81 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jex h PRO 81 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1jex h PRO 81 CO 0.00 0.62 -0.00 0.22 -0.23 0.00 0.00 178.00 178.61 1jex h ASP 82 N 0.00 0.00 0.00 1.44 1.82 -2.00 -3.29 116.42 114.39 1jex h ASP 82 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1jex h ASP 82 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1jex h ASP 82 CO 0.08 0.42 0.01 0.44 -1.61 0.00 0.00 179.24 178.58 1jex h ASP 83 N -0.84 0.00 -0.16 2.28 5.19 -1.94 0.35 116.42 121.29 1jex h ASP 83 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1jex h ASP 83 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 1jex h ASP 83 CO 0.00 0.00 -0.03 -0.09 -3.12 0.00 0.00 179.24 176.00 1jex h ARG 84 N 0.00 0.44 -0.00 3.56 1.12 -1.15 -1.37 114.38 116.98 1jex h ARG 84 Ca 0.00 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jex h ARG 84 Cb 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 29.91 1jex h ARG 84 CO 0.00 0.49 -0.62 0.45 -3.11 0.00 0.00 179.97 177.18 1jex n SER 85 N -4.29 0.62 -0.02 -3.80 2.88 0.08 -4.00 113.62 105.10 1jex n SER 85 Ca 0.01 -0.44 -0.17 0.00 -1.33 0.00 0.00 58.87 56.95 1jex n SER 85 Cb 0.24 0.43 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 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 0.01 0.53 0.00 -1.46 1.79 -0.95 -2.89 116.57 113.60 1jex h LYS 86 Ca 0.00 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1jex h LYS 86 Cb 0.50 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1jex h LYS 86 CO 0.00 1.09 0.00 0.82 -1.08 0.00 0.00 179.45 180.28 1jex h ILE 87 N 0.12 0.00 0.00 1.86 1.08 -1.57 -3.51 117.51 115.49 1jex h ILE 87 Ca -0.05 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1jex h ILE 87 Cb 1.22 1.17 0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1jex h ILE 87 CO 0.11 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.57