#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 4.40 -1.04 1.45 2.20 -1.26 -4.98 119.74 120.50 1jex s LYS 5 Ca 0.00 0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 56.21 1jex s LYS 5 Cb 0.00 -3.42 0.12 0.00 -1.51 0.00 0.00 37.83 33.02 1jex s LYS 5 CO 0.00 0.15 1.32 0.71 -0.36 0.00 0.00 175.35 177.17 1jex s TYR 6 N 0.54 3.04 -0.15 4.03 2.02 -1.26 -4.37 117.35 121.20 1jex s TYR 6 Ca 0.34 -1.46 -0.15 0.00 -0.37 0.00 0.00 57.07 55.43 1jex s TYR 6 Cb -0.17 -4.42 -0.04 0.00 -0.40 0.00 0.00 41.96 36.92 1jex s TYR 6 CO 0.17 -1.60 0.35 1.52 -1.57 0.00 0.00 175.55 174.43 1jex s TYR 7 N 3.08 3.47 0.61 2.71 -0.85 -1.26 -4.36 117.35 120.75 1jex s TYR 7 Ca 0.40 0.68 -0.14 0.00 -0.52 0.00 0.00 57.07 57.49 1jex s TYR 7 Cb -0.02 -2.41 -0.03 0.00 0.38 0.00 0.00 41.96 39.87 1jex s TYR 7 CO -0.06 0.20 1.05 0.95 -1.52 0.00 0.00 175.55 176.17 1jex s THR 8 N 0.56 4.02 0.59 -3.49 -4.23 -1.26 -1.04 115.64 110.79 1jex s THR 8 Ca 0.19 0.86 0.31 0.00 -1.18 0.00 0.00 61.69 61.87 1jex s THR 8 Cb -0.14 -3.46 0.45 0.00 1.34 0.00 0.00 72.50 70.69 1jex s THR 8 CO 0.06 -0.66 1.51 0.17 -0.54 0.00 0.00 174.62 175.16 1jex h LEU 9 N 0.16 0.00 -1.98 4.79 8.10 -1.92 0.81 115.31 125.27 1jex h LEU 9 Ca -0.46 0.00 0.37 0.00 0.11 0.00 0.00 57.88 57.90 1jex h LEU 9 Cb 1.21 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.38 1jex h LEU 9 CO 0.58 0.00 0.92 -0.08 -4.11 0.00 0.00 178.44 175.75 1jex h GLU 10 N 0.00 0.00 0.00 0.17 4.81 -1.95 2.05 114.58 119.65 1jex h GLU 10 Ca 0.49 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.49 1jex h GLU 10 Cb 2.60 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.95 1jex h GLU 10 CO -0.01 0.00 -1.59 0.39 -0.73 0.00 0.00 179.01 177.08 1jex n GLU 11 N -4.11 0.55 -0.33 1.92 -0.58 0.28 -3.47 120.64 114.89 1jex n GLU 11 Ca 0.27 0.36 0.10 0.00 -0.42 0.00 0.00 57.16 57.47 1jex n GLU 11 Cb 1.33 -1.56 0.30 0.00 -0.57 0.00 0.00 31.44 30.95 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 0.83 -0.31 -3.67 5.03 -1.33 0.28 117.51 117.34 1jex h ILE 12 Ca -0.35 -0.29 -0.12 0.00 -0.12 0.00 0.00 64.86 63.98 1jex h ILE 12 Cb 1.23 -0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.93 1jex h ILE 12 CO -0.21 0.15 -0.30 0.06 -0.68 0.00 0.00 178.15 177.17 1jex h GLN 13 N 0.84 0.65 0.00 2.37 3.07 0.31 -1.81 115.11 120.55 1jex h GLN 13 Ca 0.51 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.96 1jex h GLN 13 Cb 0.68 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1jex h GLN 13 CO -0.28 0.87 0.00 1.17 0.09 0.00 0.00 178.83 180.69 1jex n LYS 14 N -4.08 0.03 -2.32 0.06 4.81 0.70 -3.47 118.16 113.90 1jex n LYS 14 Ca -0.01 0.12 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 1jex n LYS 14 Cb 0.46 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 34.04 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 -1.48 2.91 -2.50 5.64 8.25 0.34 -4.73 115.22 123.66 1jex n HIS 15 Ca 0.06 -2.50 -0.34 0.00 -0.26 0.00 0.00 57.72 54.68 1jex n HIS 15 Cb 0.25 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.21 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 -0.29 3.72 -4.03 -0.41 4.81 -1.13 -3.43 118.16 117.39 1jex n LYS 16 Ca 0.50 -4.39 -0.10 0.00 -0.87 0.00 0.00 58.31 53.44 1jex n LYS 16 Cb 0.26 -2.31 -0.11 0.00 0.02 0.00 0.00 35.03 32.89 1jex n LYS 16 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1jex s ASP 17 N -2.37 0.55 0.50 3.14 1.01 -0.11 -5.00 116.67 114.39 1jex s ASP 17 Ca 0.47 -0.60 0.26 0.00 0.71 0.00 0.00 52.55 53.39 1jex s ASP 17 Cb 0.33 0.09 1.34 0.00 1.01 0.00 0.00 42.92 45.68 1jex s ASP 17 CO -0.22 -0.30 1.90 0.77 0.21 0.00 0.00 175.17 177.52 1jex h SER 18 N 4.34 0.14 -0.19 0.27 4.64 -1.93 0.56 113.55 121.37 1jex h SER 18 Ca -0.34 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 60.82 1jex h SER 18 Cb 1.20 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1jex h SER 18 CO 0.45 0.05 -0.53 0.07 -0.87 0.00 0.00 176.83 176.00 1jex h LYS 19 N 0.14 0.77 -2.84 4.77 2.10 -1.95 -3.41 116.57 116.15 1jex h LYS 19 Ca 0.41 -0.48 -0.51 0.00 -2.00 0.00 0.00 60.65 58.08 1jex h LYS 19 Cb 1.42 0.05 -0.40 0.00 -0.90 0.00 0.00 32.23 32.40 1jex h LYS 19 CO -0.06 1.11 -0.77 -1.12 -2.00 0.00 0.00 179.45 176.61 1jex s SER 20 N -6.93 3.19 -0.07 7.07 0.01 0.19 -4.89 113.70 112.27 1jex s SER 20 Ca -0.10 -1.10 -0.03 0.00 1.31 0.00 0.00 55.95 56.03 1jex s SER 20 Cb 0.11 -0.30 0.04 0.00 0.21 0.00 0.00 66.02 66.07 1jex s SER 20 CO 0.87 -0.42 0.07 -0.89 0.41 0.00 0.00 173.24 173.28 1jex s THR 21 N 2.12 -0.10 0.47 1.44 2.01 -0.88 -0.93 115.64 119.76 1jex s THR 21 Ca 0.07 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.39 1jex s THR 21 Cb -0.16 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1jex s THR 21 CO -0.30 0.07 0.06 0.26 -0.69 0.00 0.00 174.62 174.03 1jex s TRP 22 N 2.16 1.82 -0.25 4.92 0.51 -1.24 -2.85 118.94 124.00 1jex s TRP 22 Ca 0.04 -1.12 -0.03 0.00 -2.12 0.00 0.00 56.10 52.88 1jex s TRP 22 Cb -0.13 -1.40 0.14 0.00 -0.81 0.00 0.00 33.47 31.28 1jex s TRP 22 CO -0.04 -0.02 0.44 0.14 -0.51 0.00 0.00 176.95 176.95 1jex s VAL 23 N -3.03 -0.71 -0.45 4.03 -7.23 -1.12 -4.10 120.40 107.79 1jex s VAL 23 Ca 0.14 -0.03 -0.27 0.00 -1.81 0.00 0.00 61.98 60.01 1jex s VAL 23 Cb 0.02 -0.85 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1jex s VAL 23 CO 0.08 -0.07 2.17 0.27 -0.31 0.00 0.00 175.10 177.24 1jex s ILE 24 N 2.63 3.15 -0.04 -0.62 -5.25 -1.24 -2.98 121.20 116.85 1jex s ILE 24 Ca 0.13 0.11 0.02 0.00 -0.99 0.00 0.00 60.65 59.92 1jex s ILE 24 Cb -0.15 -3.31 0.01 0.00 2.95 0.00 0.00 42.46 41.96 1jex s ILE 24 CO -0.17 -0.27 -0.07 -1.48 -1.79 0.00 0.00 174.94 171.16 1jex s LEU 25 N 10.19 1.56 -0.90 0.37 0.05 -0.54 -3.79 118.68 125.62 1jex s LEU 25 Ca 0.89 -0.16 0.00 0.00 0.05 0.00 0.00 54.13 54.90 1jex s LEU 25 Cb -0.19 -0.51 0.00 0.00 -2.05 0.00 0.00 46.19 43.44 1jex s LEU 25 CO 0.27 0.00 0.00 1.41 -0.55 0.00 0.00 176.35 177.48 1jex n HIS 26 N 3.70 -0.47 -0.91 3.48 8.25 -1.26 -1.67 115.22 126.35 1jex n HIS 26 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1jex n HIS 26 Cb 0.52 -2.46 0.00 0.00 1.12 0.00 0.00 29.99 29.17 1jex n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1jex n HIS 27 N -3.94 0.00 -3.91 4.41 1.44 -1.26 -4.94 115.22 107.01 1jex n HIS 27 Ca -0.12 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.36 1jex n HIS 27 Cb 0.58 -0.89 -0.17 0.00 0.12 0.00 0.00 29.99 29.63 1jex n HIS 27 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1jex s LYS 28 N -0.79 0.80 0.32 -1.40 0.00 -0.67 -4.30 119.74 113.70 1jex s LYS 28 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 55.97 55.71 1jex s LYS 28 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 37.83 36.71 1jex s LYS 28 CO 0.00 -0.23 0.93 0.54 0.00 0.00 0.00 175.35 176.59 1jex s VAL 29 N 1.62 4.24 -0.07 1.79 0.11 -1.19 -1.46 120.40 125.44 1jex s VAL 29 Ca 0.00 1.78 0.05 0.00 -2.93 0.00 0.00 61.98 60.88 1jex s VAL 29 Cb -0.13 -3.98 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1jex s VAL 29 CO -0.04 0.12 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.30 1jex s TYR 30 N -1.64 2.50 -1.18 1.54 1.51 -1.16 -3.14 117.35 115.78 1jex s TYR 30 Ca 0.50 -0.78 -0.13 0.00 -1.01 0.00 0.00 57.07 55.65 1jex s TYR 30 Cb -0.18 -1.64 0.19 0.00 -0.11 0.00 0.00 41.96 40.22 1jex s TYR 30 CO 0.23 -0.25 1.36 0.34 -1.11 0.00 0.00 175.55 176.11 1jex s ASP 31 N -0.03 7.12 -0.05 2.29 2.15 -1.19 -2.78 116.67 124.18 1jex s ASP 31 Ca -0.07 -3.12 0.08 0.00 0.43 0.00 0.00 52.55 49.87 1jex s ASP 31 Cb -0.15 -2.36 0.33 0.00 -0.30 0.00 0.00 42.92 40.44 1jex s ASP 31 CO 0.05 -0.65 1.16 0.00 -0.17 0.00 0.00 175.17 175.56 1jex n LEU 32 N 5.00 2.44 0.20 -1.34 -0.00 -1.22 -4.00 117.00 118.08 1jex n LEU 32 Ca 0.34 -1.23 0.14 0.00 -0.00 0.00 0.00 56.01 55.26 1jex n LEU 32 Cb 0.42 -0.40 0.67 0.00 -0.00 0.00 0.00 43.42 44.11 1jex n LEU 32 CO 0.59 0.43 0.92 0.00 -0.00 0.00 0.00 177.39 179.33 1jex h THR 33 N 1.88 0.00 0.00 1.47 1.03 -1.82 1.10 112.91 116.57 1jex h THR 33 Ca 0.00 -0.15 -0.20 0.00 -0.01 0.00 0.00 66.41 66.05 1jex h THR 33 Cb 0.79 0.86 -0.03 0.00 -1.07 0.00 0.00 68.15 68.71 1jex h THR 33 CO 0.11 0.00 -1.17 1.17 -0.01 0.00 0.00 175.52 175.62 1jex n LYS 34 N -2.49 0.55 -0.17 0.00 3.00 -1.26 -4.12 118.16 113.66 1jex n LYS 34 Ca -0.00 0.56 0.04 0.00 -0.00 0.00 0.00 58.31 58.91 1jex n LYS 34 Cb 0.14 -1.73 0.13 0.00 0.00 0.00 0.00 35.03 33.56 1jex n LYS 34 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1jex n PHE 35 N -4.46 0.44 0.07 5.64 -1.74 -1.05 -3.96 117.46 112.40 1jex n PHE 35 Ca -0.29 -0.20 0.03 0.00 -0.56 0.00 0.00 57.45 56.44 1jex n PHE 35 Cb 0.62 -0.04 0.42 0.00 1.52 0.00 0.00 39.48 42.00 1jex n PHE 35 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1jex h LEU 36 N 1.60 0.35 0.00 5.98 6.46 0.11 0.51 115.31 130.32 1jex h LEU 36 Ca 0.00 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1jex h LEU 36 Cb 0.48 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 1jex h LEU 36 CO 0.03 0.35 -0.53 -0.08 -0.62 0.00 0.00 178.44 177.59 1jex h GLU 37 N 0.38 0.00 0.00 1.25 4.81 -1.82 -3.26 114.58 115.94 1jex h GLU 37 Ca 0.09 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 1jex h GLU 37 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1jex h GLU 37 CO -0.01 0.06 -1.02 0.93 -0.73 0.00 0.00 179.01 178.24 1jex h GLU 38 N 0.00 0.00 -6.71 1.92 4.39 -1.36 -3.46 114.58 109.37 1jex h GLU 38 Ca -0.01 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.16 1jex h GLU 38 Cb 1.07 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.77 1jex h GLU 38 CO 0.01 0.44 0.83 -1.58 -1.16 0.00 0.00 179.01 177.54 1jex s HIS 39 N -2.91 2.98 -0.62 4.33 2.46 0.17 -4.88 115.29 116.81 1jex s HIS 39 Ca 0.00 0.84 0.25 0.00 0.47 0.00 0.00 55.06 56.62 1jex s HIS 39 Cb 0.08 -3.91 0.90 0.00 -0.13 0.00 0.00 32.58 29.53 1jex s HIS 39 CO 0.79 -3.10 1.74 -0.35 -2.47 0.00 0.00 174.74 171.35 1jex n PRO 40 N 2.84 0.22 0.00 2.88 -0.04 -1.26 -4.06 135.00 135.58 1jex n PRO 40 Ca 0.09 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 1jex n PRO 40 Cb 0.39 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 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 0.66 -2.96 0.00 0.55 0.00 -1.26 -5.04 105.19 97.13 1jex n GLY 41 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.60 1.19 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.52 1jex n GLY 42 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 3.43 -0.02 1.61 2.13 -1.26 -4.55 120.64 121.97 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 -0.04 0.00 0.27 0.00 0.00 31.44 30.95 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 -1.18 2.50 0.13 5.31 0.00 -1.26 -4.31 120.64 121.82 1jex n GLU 44 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 57.16 57.13 1jex n GLU 44 Cb 0.00 -1.12 0.20 0.00 0.00 0.00 0.00 31.44 30.52 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 1.39 -0.11 3.84 3.04 -1.94 1.57 116.25 124.05 1jex h VAL 45 Ca -0.09 -1.91 -0.13 0.00 -1.01 0.00 0.00 66.70 63.56 1jex h VAL 45 Cb 1.02 2.01 0.01 0.00 -2.01 0.00 0.00 31.29 32.31 1jex h VAL 45 CO 0.01 0.55 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.60 1jex h LEU 46 N 0.05 0.58 0.00 3.16 3.38 -1.80 -3.18 115.31 117.49 1jex h LEU 46 Ca -0.00 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 1jex h LEU 46 Cb 1.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1jex h LEU 46 CO 0.08 1.11 -0.36 0.08 0.09 0.00 0.00 178.44 179.44 1jex h ARG 47 N 0.08 0.00 -1.42 1.13 0.11 -1.72 -3.29 114.38 109.26 1jex h ARG 47 Ca -0.03 0.00 0.41 0.00 0.10 0.00 0.00 59.98 60.47 1jex h ARG 47 Cb 1.09 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.11 1jex h ARG 47 CO 0.09 0.12 1.06 1.49 0.10 0.00 0.00 179.97 182.83 1jex h GLU 48 N 0.00 0.00 -0.57 0.08 4.57 0.23 1.40 114.58 120.29 1jex h GLU 48 Ca -0.01 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.76 1jex h GLU 48 Cb 1.11 0.00 -0.31 0.00 -0.16 0.00 0.00 28.75 29.39 1jex h GLU 48 CO 0.02 0.00 -0.63 1.04 -1.18 0.00 0.00 179.01 178.25 1jex n GLN 49 N -4.01 3.02 -2.89 1.92 1.13 -1.24 -4.86 117.38 110.45 1jex n GLN 49 Ca 0.31 -3.89 -0.43 0.00 -1.94 0.00 0.00 57.00 51.06 1jex n GLN 49 Cb 1.51 -2.11 0.01 0.00 0.11 0.00 0.00 30.24 29.77 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 -0.83 5.35 0.00 -1.58 0.00 0.48 -4.14 120.51 119.79 1jex n ALA 50 Ca 0.39 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 49.09 1jex n ALA 50 Cb 0.90 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.23 0.15 0.00 0.00 0.00 -1.26 -4.23 105.19 101.08 1jex n GLY 51 Ca 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.94 1.75 3.32 -0.02 0.00 -1.26 -4.37 105.19 103.68 1jex n GLY 52 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.78 4.88 0.03 1.61 -4.77 -1.26 -3.73 116.67 114.21 1jex s ASP 53 Ca 0.00 -0.67 0.22 0.00 -3.30 0.00 0.00 52.55 48.81 1jex s ASP 53 Cb 0.00 -1.83 -0.09 0.00 -1.09 0.00 0.00 42.92 39.91 1jex s ASP 53 CO 0.00 -0.15 0.88 0.00 0.70 0.00 0.00 175.17 176.60 1jex n ALA 54 N 4.82 3.45 0.08 2.11 0.00 -1.25 -4.14 120.51 125.58 1jex n ALA 54 Ca -0.15 -0.46 0.20 0.00 0.00 0.00 0.00 53.44 53.03 1jex n ALA 54 Cb 0.48 -0.89 0.66 0.00 0.00 0.00 0.00 19.45 19.70 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 0.22 0.20 0.00 1.03 -1.90 3.49 112.91 115.94 1jex h THR 55 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 66.41 66.10 1jex h THR 55 Cb 0.77 0.49 0.03 0.00 -1.07 0.00 0.00 68.15 68.37 1jex h THR 55 CO 0.00 0.00 -1.30 1.05 -0.01 0.00 0.00 175.52 175.26 1jex h GLU 56 N 0.00 0.53 0.00 0.00 4.11 -1.93 -1.50 114.58 115.79 1jex h GLU 56 Ca 0.22 -0.83 -0.21 0.00 0.07 0.00 0.00 59.36 58.60 1jex h GLU 56 Cb 1.44 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 1jex h GLU 56 CO -0.00 1.39 -1.24 -0.91 0.07 0.00 0.00 179.01 178.32 1jex h ASN 57 N 0.10 0.00 -0.15 3.06 4.21 0.06 -2.84 115.58 120.02 1jex h ASN 57 Ca -0.22 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.07 1jex h ASN 57 Cb 2.00 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.21 1jex h ASN 57 CO 0.25 0.82 -0.75 0.15 -1.29 0.00 0.00 177.43 176.61 1jex h PHE 58 N 0.00 1.06 0.00 1.19 3.57 0.61 -3.03 116.94 120.33 1jex h PHE 58 Ca -0.13 -0.46 0.00 0.00 3.53 0.00 0.00 57.97 60.91 1jex h PHE 58 Cb 1.74 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1jex h PHE 58 CO 0.00 1.29 0.00 1.05 -2.23 0.00 0.00 178.31 178.42 1jex h GLU 59 N 0.55 0.00 -0.17 1.11 -0.00 -1.38 -3.29 114.58 111.40 1jex h GLU 59 Ca -0.04 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.36 1jex h GLU 59 Cb 1.37 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 30.07 1jex h GLU 59 CO 0.15 0.00 -0.15 0.22 -0.00 0.00 0.00 179.01 179.23 1jex h ASP 60 N 0.00 -0.49 0.73 3.06 1.82 -1.37 0.39 116.42 120.56 1jex h ASP 60 Ca 0.00 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.74 1jex h ASP 60 Cb 0.76 0.24 0.00 0.00 0.68 0.00 0.00 39.33 41.01 1jex h ASP 60 CO 0.00 -0.20 0.00 1.62 -1.61 0.00 0.00 179.24 179.05 1jex h VAL 61 N -0.17 0.00 -4.47 2.25 3.04 -1.68 -3.47 116.25 111.75 1jex h VAL 61 Ca 0.11 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1jex h VAL 61 Cb 0.33 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1jex h VAL 61 CO -0.27 0.00 -0.30 0.61 -1.01 0.00 0.00 177.57 176.60 1jex n GLY 62 N -0.12 -1.08 3.76 3.17 0.00 0.14 -4.97 105.19 106.09 1jex n GLY 62 Ca 0.01 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.10 3.61 0.98 1.61 3.76 -1.26 -5.03 115.29 116.85 1jex s HIS 63 Ca 0.15 1.72 -0.12 0.00 -0.15 0.00 0.00 55.06 56.65 1jex s HIS 63 Cb -0.04 -3.26 0.18 0.00 1.11 0.00 0.00 32.58 30.56 1jex s HIS 63 CO 0.49 -0.47 1.11 -1.12 -0.85 0.00 0.00 174.74 173.90 1jex s SER 64 N -0.91 2.87 0.00 1.40 0.01 -1.26 -4.87 113.70 110.94 1jex s SER 64 Ca 0.44 1.07 0.08 0.00 1.31 0.00 0.00 55.95 58.85 1jex s SER 64 Cb -0.31 -1.69 0.35 0.00 0.21 0.00 0.00 66.02 64.57 1jex s SER 64 CO 0.40 -2.96 1.19 1.07 0.41 0.00 0.00 173.24 173.35 1jex n THR 65 N -4.05 1.23 0.67 1.44 5.66 -1.26 -0.81 114.28 117.16 1jex n THR 65 Ca 0.06 0.31 0.13 0.00 -3.05 0.00 0.00 64.05 61.49 1jex n THR 65 Cb 0.58 -1.18 0.47 0.00 -1.55 0.00 0.00 70.33 68.65 1jex n THR 65 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1jex n ASP 66 N -1.42 0.53 0.03 1.09 8.00 -1.26 -2.89 116.55 120.63 1jex n ASP 66 Ca 0.03 0.57 -0.14 0.00 0.71 0.00 0.00 54.79 55.95 1jex n ASP 66 Cb 0.08 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1jex n ASP 66 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1jex h VAL 67 N 0.00 1.34 0.00 2.53 2.07 -1.31 -2.66 116.25 118.21 1jex h VAL 67 Ca 0.00 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.33 1jex h VAL 67 Cb 0.58 2.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1jex h VAL 67 CO 0.00 0.66 -0.19 -0.09 0.02 0.00 0.00 177.57 177.97 1jex h ARG 68 N 0.37 0.00 -0.65 1.57 2.43 -1.69 -0.53 114.38 115.89 1jex h ARG 68 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1jex h ARG 68 Cb 1.44 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 1jex h ARG 68 CO 0.15 0.19 0.00 -0.85 -1.51 0.00 0.00 179.97 177.95 1jex n GLU 69 N -4.12 3.35 -0.03 0.20 0.28 -1.14 -4.40 120.64 114.79 1jex n GLU 69 Ca -0.02 -2.55 -0.02 0.00 -0.16 0.00 0.00 57.16 54.41 1jex n GLU 69 Cb 0.26 -1.80 -0.01 0.00 1.43 0.00 0.00 31.44 31.33 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 1.05 0.65 -4.54 -1.84 -0.00 -0.21 -4.67 117.00 107.44 1jex n LEU 70 Ca 0.23 0.35 -0.43 0.00 -0.00 0.00 0.00 56.01 56.17 1jex n LEU 70 Cb 0.78 -0.63 -0.01 0.00 -0.00 0.00 0.00 43.42 43.56 1jex n LEU 70 CO 0.21 -0.48 1.61 -0.44 -0.00 0.00 0.00 177.39 178.29 1jex s SER 71 N -4.35 6.73 -0.19 1.96 0.01 -1.22 -4.68 113.70 111.96 1jex s SER 71 Ca -0.06 -2.13 -0.15 0.00 1.31 0.00 0.00 55.95 54.93 1jex s SER 71 Cb 0.01 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1jex s SER 71 CO 0.09 -1.22 -0.15 0.29 0.41 0.00 0.00 173.24 172.65 1jex n LYS 72 N 8.00 0.52 0.04 12.44 4.76 -1.26 -3.96 118.16 138.70 1jex n LYS 72 Ca 0.39 0.43 -0.05 0.00 -2.87 0.00 0.00 58.31 56.21 1jex n LYS 72 Cb 0.48 -1.61 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 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 -1.00 1.06 -0.72 -0.18 2.02 -1.98 -3.31 112.91 108.79 1jex h THR 73 Ca -0.20 -2.72 -0.03 0.00 0.77 0.00 0.00 66.41 64.23 1jex h THR 73 Cb 0.99 2.48 -0.03 0.00 -1.74 0.00 0.00 68.15 69.85 1jex h THR 73 CO -0.12 0.60 0.32 1.88 0.37 0.00 0.00 175.52 178.57 1jex h TYR 74 N 0.00 1.04 -0.91 3.16 0.05 -1.86 -3.44 116.97 115.00 1jex h TYR 74 Ca -0.13 -0.05 -0.60 0.00 0.05 0.00 0.00 58.73 58.00 1jex h TYR 74 Cb 1.75 -0.32 0.10 0.00 1.01 0.00 0.00 36.73 39.27 1jex h TYR 74 CO 0.00 0.77 -0.49 -0.89 -1.05 0.00 0.00 178.16 176.50 1jex n ILE 75 N -4.31 1.74 -0.12 -2.88 2.08 -1.25 -3.20 119.36 111.42 1jex n ILE 75 Ca 0.07 -0.45 -0.23 0.00 0.56 0.00 0.00 62.75 62.70 1jex n ILE 75 Cb 0.15 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 38.95 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 -0.03 1.30 0.00 1.39 -5.35 -1.19 -4.76 119.36 110.72 1jex n ILE 76 Ca 0.16 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1jex n ILE 76 Cb 0.23 -1.70 0.00 0.00 -1.74 0.00 0.00 39.64 36.43 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 1.72 -0.77 3.41 3.28 0.00 -1.20 -4.78 105.19 106.85 1jex n GLY 77 Ca -0.45 0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.32 0.88 1.61 -1.05 -1.26 -3.16 118.70 116.04 1jex s GLU 78 Ca 0.00 0.78 -0.11 0.00 -0.15 0.00 0.00 54.97 55.49 1jex s GLU 78 Cb 0.00 0.47 0.12 0.00 -0.44 0.00 0.00 34.13 34.28 1jex s GLU 78 CO 0.00 -0.12 1.14 1.47 0.95 0.00 0.00 175.26 178.70 1jex n LEU 79 N 5.04 3.59 -3.73 1.83 -0.00 -1.26 -4.11 117.00 118.37 1jex n LEU 79 Ca -0.09 0.47 -0.40 0.00 -0.00 0.00 0.00 56.01 56.00 1jex n LEU 79 Cb 0.52 -1.48 -0.02 0.00 -0.00 0.00 0.00 43.42 42.44 1jex n LEU 79 CO -0.05 -2.05 -0.10 1.57 -0.00 0.00 0.00 177.39 176.76 1jex n HIS 80 N -3.91 -0.78 0.16 1.47 -0.00 -0.21 -4.71 115.22 107.24 1jex n HIS 80 Ca 0.12 0.75 0.03 0.00 -0.00 0.00 0.00 57.72 58.62 1jex n HIS 80 Cb 0.51 -1.63 0.19 0.00 -0.00 0.00 0.00 29.99 29.07 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 0.70 0.00 0.00 1.57 0.13 -1.93 -1.34 132.00 131.13 1jex h PRO 81 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1jex h PRO 81 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1jex h PRO 81 CO 0.46 0.51 -0.06 0.22 -0.23 0.00 0.00 178.00 178.90 1jex h ASP 82 N 0.00 0.00 0.11 1.44 3.58 -1.99 -3.02 116.42 116.55 1jex h ASP 82 Ca -0.01 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.16 1jex h ASP 82 Cb 1.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1jex h ASP 82 CO 0.07 0.00 -1.47 0.44 -2.88 0.00 0.00 179.24 175.40 1jex h ASP 83 N 0.00 0.38 -0.03 2.28 3.32 -1.83 -3.10 116.42 117.43 1jex h ASP 83 Ca 0.00 -0.85 0.01 0.00 0.02 0.00 0.00 57.03 56.21 1jex h ASP 83 Cb 0.94 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1jex h ASP 83 CO 0.00 1.64 0.02 0.08 -1.72 0.00 0.00 179.24 179.27 1jex h ARG 84 N -0.28 0.00 0.00 3.56 -0.00 -1.30 0.32 114.38 116.67 1jex h ARG 84 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 1jex h ARG 84 Cb 1.78 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.75 1jex h ARG 84 CO 0.05 0.00 -0.38 0.45 -0.00 0.00 0.00 179.97 180.10 1jex n SER 85 N -4.31 0.46 0.08 0.08 2.88 -1.14 -3.50 113.62 108.17 1jex n SER 85 Ca -0.02 0.08 -0.10 0.00 -1.33 0.00 0.00 58.87 57.50 1jex n SER 85 Cb 0.12 -0.03 -0.12 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 0.09 0.00 -1.46 1.79 -0.30 -2.98 116.57 113.72 1jex h LYS 86 Ca 0.00 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1jex h LYS 86 Cb 0.58 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1jex h LYS 86 CO 0.00 1.06 0.00 -0.89 -1.08 0.00 0.00 179.45 178.54 1jex n ILE 87 N -3.43 0.55 0.00 1.86 2.08 -0.96 -5.10 119.36 114.36 1jex n ILE 87 Ca -0.03 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1jex n ILE 87 Cb 0.96 -0.87 0.00 0.00 -0.75 0.00 0.00 39.64 38.98 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11