#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 4.46 -0.80 1.45 2.20 -1.26 -4.97 119.74 120.82 1jex s LYS 5 Ca 0.00 1.06 -0.17 0.00 -0.36 0.00 0.00 55.97 56.50 1jex s LYS 5 Cb 0.00 -3.16 0.16 0.00 -1.51 0.00 0.00 37.83 33.31 1jex s LYS 5 CO 0.00 0.53 0.88 0.71 -0.36 0.00 0.00 175.35 177.11 1jex s TYR 6 N -1.24 3.33 -0.17 4.03 2.02 -1.26 -4.26 117.35 119.80 1jex s TYR 6 Ca 0.37 -1.50 -0.13 0.00 -0.37 0.00 0.00 57.07 55.44 1jex s TYR 6 Cb -0.21 -4.04 -0.05 0.00 -0.40 0.00 0.00 41.96 37.26 1jex s TYR 6 CO 0.24 -1.25 0.26 1.52 -1.57 0.00 0.00 175.55 174.75 1jex s TYR 7 N 1.74 3.45 0.55 2.71 1.13 -1.26 -4.33 117.35 121.34 1jex s TYR 7 Ca 0.21 0.54 -0.15 0.00 -1.41 0.00 0.00 57.07 56.26 1jex s TYR 7 Cb -0.12 -2.31 -0.07 0.00 -1.10 0.00 0.00 41.96 38.37 1jex s TYR 7 CO -0.05 0.24 1.00 0.95 -2.51 0.00 0.00 175.55 175.18 1jex s THR 8 N 0.46 4.55 0.32 -3.49 -4.23 -1.26 0.03 115.64 112.03 1jex s THR 8 Ca 0.15 1.11 0.23 0.00 -1.18 0.00 0.00 61.69 61.99 1jex s THR 8 Cb -0.13 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.33 1jex s THR 8 CO 0.03 -0.81 1.19 0.00 -0.54 0.00 0.00 174.62 174.49 1jex n LEU 9 N -1.94 0.18 -0.64 4.79 -0.00 -1.26 0.19 117.00 118.33 1jex n LEU 9 Ca 0.06 1.10 0.49 0.00 -0.00 0.00 0.00 56.01 57.67 1jex n LEU 9 Cb 0.54 -0.54 0.75 0.00 -0.00 0.00 0.00 43.42 44.17 1jex n LEU 9 CO 0.50 -1.21 1.40 1.21 -0.00 0.00 0.00 177.39 179.29 1jex n GLU 10 N -4.33 0.00 -0.14 1.47 2.13 -1.26 0.23 120.64 118.75 1jex n GLU 10 Ca 0.30 1.02 -0.29 0.00 0.66 0.00 0.00 57.16 58.86 1jex n GLU 10 Cb 1.15 -2.38 -0.10 0.00 0.27 0.00 0.00 31.44 30.37 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 -3.76 0.59 -0.30 5.31 -0.58 0.51 -3.52 120.64 118.89 1jex n GLU 11 Ca 0.41 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 57.52 1jex n GLU 11 Cb 1.89 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 31.59 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 -0.97 0.86 0.00 -3.67 5.03 -0.46 0.42 117.51 118.72 1jex h ILE 12 Ca -0.69 -0.27 -0.10 0.00 -0.12 0.00 0.00 64.86 63.68 1jex h ILE 12 Cb 1.62 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 35.40 1jex h ILE 12 CO -0.41 0.14 -0.48 0.06 -0.68 0.00 0.00 178.15 176.79 1jex h GLN 13 N 0.78 0.00 0.00 2.37 3.07 0.27 -2.70 115.11 118.90 1jex h GLN 13 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 1jex h GLN 13 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.21 1jex h GLN 13 CO -0.22 0.48 0.00 1.17 0.09 0.00 0.00 178.83 180.34 1jex n LYS 14 N -3.39 0.02 -2.76 0.06 4.81 0.14 -3.41 118.16 113.63 1jex n LYS 14 Ca 0.01 0.14 -0.32 0.00 -0.87 0.00 0.00 58.31 57.27 1jex n LYS 14 Cb 0.64 -1.54 -0.01 0.00 0.02 0.00 0.00 35.03 34.14 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 -1.58 3.57 -2.88 5.64 8.25 -0.51 -4.85 115.22 122.86 1jex n HIS 15 Ca 0.05 -3.41 -0.34 0.00 -0.26 0.00 0.00 57.72 53.76 1jex n HIS 15 Cb 0.26 -0.70 -0.02 0.00 1.12 0.00 0.00 29.99 30.66 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 -0.23 4.18 -3.54 -0.41 4.81 -1.21 -3.68 118.16 118.08 1jex n LYS 16 Ca 0.38 -4.74 -0.11 0.00 -0.87 0.00 0.00 58.31 52.97 1jex n LYS 16 Cb 0.37 -2.36 -0.03 0.00 0.02 0.00 0.00 35.03 33.03 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 -2.36 -0.45 0.20 3.14 2.15 -1.16 -5.03 116.67 113.16 1jex s ASP 17 Ca 0.42 -0.18 -0.11 0.00 0.43 0.00 0.00 52.55 53.11 1jex s ASP 17 Cb 0.21 0.60 0.25 0.00 -0.30 0.00 0.00 42.92 43.67 1jex s ASP 17 CO -0.10 -1.01 1.70 0.77 -0.17 0.00 0.00 175.17 176.36 1jex h SER 18 N 2.07 -0.06 -0.32 -0.34 4.64 -1.93 -2.15 113.55 115.46 1jex h SER 18 Ca -0.31 0.11 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1jex h SER 18 Cb 1.29 0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.49 1jex h SER 18 CO 0.37 -0.01 -0.36 0.50 -0.87 0.00 0.00 176.83 176.46 1jex h LYS 19 N 0.21 -0.21 -3.79 4.77 3.11 -1.96 -3.37 116.57 115.33 1jex h LYS 19 Ca 0.29 0.01 -0.58 0.00 -2.81 0.00 0.00 60.65 57.56 1jex h LYS 19 Cb 0.42 0.05 -0.40 0.00 -1.00 0.00 0.00 32.23 31.30 1jex h LYS 19 CO -0.39 -0.14 -0.76 0.45 -2.81 0.00 0.00 179.45 175.79 1jex s SER 20 N -4.26 3.78 -0.05 4.20 0.15 -0.86 -4.81 113.70 111.85 1jex s SER 20 Ca -0.09 -1.38 -0.00 0.00 0.70 0.00 0.00 55.95 55.17 1jex s SER 20 Cb 0.06 -0.92 0.03 0.00 -1.71 0.00 0.00 66.02 63.48 1jex s SER 20 CO 0.39 -0.35 -0.00 -0.89 1.20 0.00 0.00 173.24 173.59 1jex s THR 21 N 1.58 0.29 0.47 6.45 2.01 -0.91 -2.98 115.64 122.55 1jex s THR 21 Ca 0.04 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1jex s THR 21 Cb -0.18 -0.41 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1jex s THR 21 CO -0.16 0.21 0.06 0.26 -0.69 0.00 0.00 174.62 174.30 1jex s TRP 22 N 1.52 1.82 -0.26 4.92 0.51 -1.25 -2.84 118.94 123.36 1jex s TRP 22 Ca -0.02 -1.12 -0.02 0.00 -2.12 0.00 0.00 56.10 52.82 1jex s TRP 22 Cb -0.13 -1.40 0.15 0.00 -0.81 0.00 0.00 33.47 31.28 1jex s TRP 22 CO -0.03 -0.02 0.46 0.14 -0.51 0.00 0.00 176.95 177.00 1jex s VAL 23 N -3.02 -0.75 0.21 4.03 -7.23 -1.11 -4.01 120.40 108.52 1jex s VAL 23 Ca 0.13 -0.03 -0.32 0.00 -1.81 0.00 0.00 61.98 59.95 1jex s VAL 23 Cb 0.02 -0.88 -0.12 0.00 0.56 0.00 0.00 36.38 35.97 1jex s VAL 23 CO 0.08 -0.07 1.68 0.27 -0.31 0.00 0.00 175.10 176.76 1jex s ILE 24 N 2.67 2.12 -0.29 -0.62 -5.25 -1.25 -3.10 121.20 115.48 1jex s ILE 24 Ca 0.15 0.09 -0.16 0.00 -0.99 0.00 0.00 60.65 59.73 1jex s ILE 24 Cb -0.15 -3.05 0.12 0.00 2.95 0.00 0.00 42.46 42.32 1jex s ILE 24 CO -0.18 0.01 0.87 -1.48 -1.79 0.00 0.00 174.94 172.37 1jex s LEU 25 N 0.95 -0.68 -0.99 0.37 0.05 -1.25 -3.18 118.68 113.96 1jex s LEU 25 Ca 0.73 1.09 0.00 0.00 0.05 0.00 0.00 54.13 55.99 1jex s LEU 25 Cb -0.49 1.99 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 1jex s LEU 25 CO 0.34 -0.17 0.00 1.41 -0.55 0.00 0.00 176.35 177.38 1jex n HIS 26 N 3.92 0.00 -2.80 3.48 8.25 -1.26 -2.22 115.22 124.59 1jex n HIS 26 Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1jex n HIS 26 Cb 0.58 -1.88 0.03 0.00 1.12 0.00 0.00 29.99 29.84 1jex n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jex n HIS 27 N -2.68 -1.18 -3.12 4.41 -0.00 -1.26 -4.99 115.22 106.40 1jex n HIS 27 Ca -0.09 0.36 0.03 0.00 -0.00 0.00 0.00 57.72 58.02 1jex n HIS 27 Cb 0.33 -2.90 -0.00 0.00 -0.00 0.00 0.00 29.99 27.42 1jex n HIS 27 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1jex s LYS 28 N -5.33 0.56 0.56 1.57 -2.85 -0.94 -4.59 119.74 108.72 1jex s LYS 28 Ca 0.21 0.09 -0.21 0.00 -1.00 0.00 0.00 55.97 55.06 1jex s LYS 28 Cb -0.09 0.13 -0.05 0.00 -2.06 0.00 0.00 37.83 35.76 1jex s LYS 28 CO 0.26 -0.90 1.28 1.55 0.10 0.00 0.00 175.35 177.64 1jex n VAL 29 N 4.74 3.85 -5.20 1.79 3.14 -1.15 -3.82 118.33 121.68 1jex n VAL 29 Ca 0.08 -0.50 -0.32 0.00 -2.96 0.00 0.00 64.34 60.64 1jex n VAL 29 Cb 0.57 -1.54 -0.16 0.00 -1.06 0.00 0.00 33.84 31.65 1jex n VAL 29 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 1jex s TYR 30 N -1.33 2.48 -1.20 1.45 1.51 -1.18 -2.76 117.35 116.32 1jex s TYR 30 Ca 0.73 -0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 56.05 1jex s TYR 30 Cb -0.42 -1.60 0.19 0.00 -0.11 0.00 0.00 41.96 40.02 1jex s TYR 30 CO 0.48 -0.14 1.44 -3.47 -1.11 0.00 0.00 175.55 172.75 1jex n ASP 31 N 2.84 5.29 -0.70 2.29 2.03 -1.16 -2.77 116.55 124.37 1jex n ASP 31 Ca -0.17 -3.02 0.03 0.00 0.52 0.00 0.00 54.79 52.15 1jex n ASP 31 Cb 0.52 -1.52 0.11 0.00 -0.72 0.00 0.00 41.12 39.51 1jex n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jex n LEU 32 N 4.82 1.90 0.31 -2.67 -0.00 -1.21 -3.92 117.00 116.24 1jex n LEU 32 Ca 0.35 -0.96 0.21 0.00 -0.00 0.00 0.00 56.01 55.61 1jex n LEU 32 Cb 0.41 -0.37 1.01 0.00 -0.00 0.00 0.00 43.42 44.47 1jex n LEU 32 CO 0.63 0.34 1.11 0.00 -0.00 0.00 0.00 177.39 179.46 1jex h THR 33 N 1.29 0.00 0.00 1.47 1.03 -1.81 1.37 112.91 116.25 1jex h THR 33 Ca 0.00 -0.20 -0.12 0.00 -0.01 0.00 0.00 66.41 66.08 1jex h THR 33 Cb 0.66 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.91 1jex h THR 33 CO 0.08 0.00 -0.93 1.17 -0.01 0.00 0.00 175.52 175.83 1jex n LYS 34 N -3.07 0.51 -0.03 0.00 3.00 -1.25 -4.12 118.16 113.20 1jex n LYS 34 Ca -0.02 0.54 0.03 0.00 -0.00 0.00 0.00 58.31 58.86 1jex n LYS 34 Cb 0.16 -1.71 0.12 0.00 0.00 0.00 0.00 35.03 33.60 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 -4.52 0.08 -0.27 5.64 -1.74 -1.13 -3.92 117.46 111.61 1jex n PHE 35 Ca -0.21 -0.04 0.19 0.00 -0.56 0.00 0.00 57.45 56.84 1jex n PHE 35 Cb 0.48 0.00 0.50 0.00 1.52 0.00 0.00 39.48 41.98 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 0.39 0.44 0.00 5.98 6.46 0.17 0.85 115.31 129.60 1jex h LEU 36 Ca 0.00 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1jex h LEU 36 Cb 0.09 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1jex h LEU 36 CO 0.00 0.16 -0.75 -0.08 -0.62 0.00 0.00 178.44 177.15 1jex h GLU 37 N 0.43 0.00 -0.00 1.25 4.81 -1.82 -3.20 114.58 116.05 1jex h GLU 37 Ca 0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.73 1jex h GLU 37 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1jex h GLU 37 CO -0.21 0.20 -0.05 0.39 -0.73 0.00 0.00 179.01 178.62 1jex n GLU 38 N -2.97 0.88 -3.14 1.92 1.02 0.27 -4.80 120.64 113.82 1jex n GLU 38 Ca -0.01 -0.23 -0.39 0.00 -0.02 0.00 0.00 57.16 56.51 1jex n GLU 38 Cb 0.67 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.28 3.62 -0.98 -0.32 2.46 0.54 -4.94 115.29 113.40 1jex s HIS 39 Ca 0.36 1.20 0.22 0.00 0.47 0.00 0.00 55.06 57.30 1jex s HIS 39 Cb 0.21 -2.69 0.93 0.00 -0.13 0.00 0.00 32.58 30.89 1jex s HIS 39 CO 0.42 0.22 1.70 -0.35 -2.47 0.00 0.00 174.74 174.26 1jex n PRO 40 N 3.27 0.01 0.00 2.88 -0.04 -1.26 -4.08 135.00 135.78 1jex n PRO 40 Ca -0.04 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1jex n PRO 40 Cb 0.51 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.75 -1.66 0.00 0.55 0.00 -1.26 -5.07 105.19 98.50 1jex n GLY 41 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.36 1.17 0.00 -0.02 0.00 -1.26 -4.98 105.19 100.46 1jex n GLY 42 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 1.55 -0.06 1.61 2.13 -1.26 -4.58 120.64 120.03 1jex n GLU 43 Ca 0.00 -0.03 -0.06 0.00 0.66 0.00 0.00 57.16 57.73 1jex n GLU 43 Cb 0.00 -1.01 -0.08 0.00 0.27 0.00 0.00 31.44 30.62 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 -1.52 1.82 -0.35 5.31 0.00 -1.26 -4.26 120.64 120.37 1jex n GLU 44 Ca -0.00 0.01 0.03 0.00 0.00 0.00 0.00 57.16 57.20 1jex n GLU 44 Cb 0.11 -1.27 0.17 0.00 0.00 0.00 0.00 31.44 30.46 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 1.05 0.53 3.84 3.04 -1.94 2.73 116.25 125.50 1jex h VAL 45 Ca -0.29 -0.37 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1jex h VAL 45 Cb 1.61 -0.14 0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1jex h VAL 45 CO 0.00 0.20 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.44 1jex h LEU 46 N 1.09 -0.60 -2.47 3.16 3.38 -1.81 -2.93 115.31 115.13 1jex h LEU 46 Ca 0.43 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 1jex h LEU 46 Cb 0.21 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jex h LEU 46 CO -0.19 -0.35 -0.03 0.08 0.09 0.00 0.00 178.44 178.05 1jex h ARG 47 N -0.88 0.00 -0.69 1.13 0.11 -1.68 -1.56 114.38 110.81 1jex h ARG 47 Ca -0.07 0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.16 1jex h ARG 47 Cb 0.55 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.58 1jex h ARG 47 CO 0.12 0.03 0.47 1.49 0.10 0.00 0.00 179.97 182.18 1jex h GLU 48 N 0.00 0.28 -0.17 0.08 4.81 0.50 0.14 114.58 120.22 1jex h GLU 48 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1jex h GLU 48 Cb 0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1jex h GLU 48 CO 0.00 0.19 0.00 1.04 -0.73 0.00 0.00 179.01 179.51 1jex n GLN 49 N -4.44 2.38 -2.13 1.92 1.13 -0.61 -4.82 117.38 110.81 1jex n GLN 49 Ca 0.13 -2.63 -0.42 0.00 -1.94 0.00 0.00 57.00 52.14 1jex n GLN 49 Cb 0.56 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.27 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 -0.74 5.60 0.00 -1.58 0.00 0.47 -3.55 120.51 120.71 1jex n ALA 50 Ca 0.18 -4.17 0.00 0.00 0.00 0.00 0.00 53.44 49.45 1jex n ALA 50 Cb 0.74 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 3.06 0.12 0.00 0.00 0.00 -1.26 -4.29 105.19 102.82 1jex n GLY 51 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.82 2.16 3.34 -0.02 0.00 -1.23 -4.54 105.19 104.08 1jex n GLY 52 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 1.00 4.72 -0.01 1.61 -4.77 -1.26 -3.96 116.67 114.00 1jex s ASP 53 Ca 0.00 -0.47 0.21 0.00 -3.30 0.00 0.00 52.55 48.99 1jex s ASP 53 Cb 0.00 -1.81 -0.27 0.00 -1.09 0.00 0.00 42.92 39.74 1jex s ASP 53 CO 0.00 -0.08 0.73 0.00 0.70 0.00 0.00 175.17 176.52 1jex n ALA 54 N 4.84 3.96 -0.30 2.11 0.00 -1.19 -4.30 120.51 125.62 1jex n ALA 54 Ca -0.17 -0.56 0.22 0.00 0.00 0.00 0.00 53.44 52.93 1jex n ALA 54 Cb 0.50 -0.76 0.52 0.00 0.00 0.00 0.00 19.45 19.72 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 0.56 -0.20 0.00 1.03 -1.90 3.23 112.91 115.63 1jex h THR 55 Ca 0.00 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 66.25 1jex h THR 55 Cb 0.70 0.16 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 1jex h THR 55 CO 0.00 0.07 0.06 1.05 -0.01 0.00 0.00 175.52 176.69 1jex h GLU 56 N 0.38 0.32 0.02 0.00 4.11 -1.91 0.93 114.58 118.42 1jex h GLU 56 Ca 0.55 -0.07 -0.22 0.00 0.07 0.00 0.00 59.36 59.70 1jex h GLU 56 Cb 1.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1jex h GLU 56 CO -0.24 0.42 -1.03 -0.91 0.07 0.00 0.00 179.01 177.32 1jex h ASN 57 N 0.16 0.08 -0.33 3.06 2.35 -0.88 -2.24 115.58 117.77 1jex h ASN 57 Ca 0.07 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.56 1jex h ASN 57 Cb 0.24 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jex h ASN 57 CO -0.00 1.06 -0.46 0.15 -1.65 0.00 0.00 177.43 176.52 1jex h PHE 58 N 0.01 1.11 0.00 1.19 3.04 0.59 -2.93 116.94 119.95 1jex h PHE 58 Ca -0.03 -0.36 -0.01 0.00 3.98 0.00 0.00 57.97 61.54 1jex h PHE 58 Cb 1.79 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 40.08 1jex h PHE 58 CO 0.01 1.19 -0.07 1.05 -2.02 0.00 0.00 178.31 178.47 1jex h GLU 59 N 0.72 0.00 0.51 1.11 -0.00 0.84 -3.22 114.58 114.54 1jex h GLU 59 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1jex h GLU 59 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.81 1jex h GLU 59 CO 0.11 0.07 -0.27 0.22 -0.00 0.00 0.00 179.01 179.14 1jex h ASP 60 N 0.00 -0.66 0.27 3.06 3.58 -1.21 -0.87 116.42 120.60 1jex h ASP 60 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1jex h ASP 60 Cb 0.95 0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.19 1jex h ASP 60 CO 0.01 -0.45 0.00 1.62 -2.88 0.00 0.00 179.24 177.54 1jex h VAL 61 N -0.72 0.00 -4.21 2.25 3.04 -1.61 -3.47 116.25 111.53 1jex h VAL 61 Ca -0.06 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 1jex h VAL 61 Cb 0.57 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1jex h VAL 61 CO 0.09 0.00 -0.23 0.61 -1.01 0.00 0.00 177.57 177.03 1jex n GLY 62 N -0.79 -0.99 3.76 3.17 0.00 -0.33 -4.97 105.19 105.04 1jex n GLY 62 Ca -0.02 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.01 3.33 1.09 1.61 3.76 -1.25 -5.00 115.29 116.83 1jex s HIS 63 Ca 0.11 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.48 1jex s HIS 63 Cb -0.03 -3.46 0.24 0.00 1.11 0.00 0.00 32.58 30.45 1jex s HIS 63 CO 0.41 -1.13 1.06 -1.12 -0.85 0.00 0.00 174.74 173.10 1jex s SER 64 N -0.72 1.59 0.00 1.40 0.01 -1.26 -4.89 113.70 109.83 1jex s SER 64 Ca 0.47 1.57 0.23 0.00 1.31 0.00 0.00 55.95 59.52 1jex s SER 64 Cb -0.35 -2.28 0.98 0.00 0.21 0.00 0.00 66.02 64.58 1jex s SER 64 CO 0.46 -3.83 1.73 1.07 0.41 0.00 0.00 173.24 173.08 1jex n THR 65 N -4.67 0.42 1.51 1.44 5.66 -1.26 -2.08 114.28 115.30 1jex n THR 65 Ca 0.05 0.11 0.14 0.00 -3.05 0.00 0.00 64.05 61.29 1jex n THR 65 Cb 0.54 -0.71 0.57 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.49 1.11 0.10 1.09 8.00 -1.26 -3.63 116.55 120.48 1jex n ASP 66 Ca 0.06 -1.23 -0.22 0.00 0.71 0.00 0.00 54.79 54.10 1jex n ASP 66 Cb 0.26 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.23 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 1.66 1.15 0.00 2.53 2.07 -1.76 -1.88 116.25 120.02 1jex h VAL 67 Ca 0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1jex h VAL 67 Cb 0.42 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1jex h VAL 67 CO 0.00 0.84 0.00 0.08 0.02 0.00 0.00 177.57 178.51 1jex h ARG 68 N 0.12 0.00 0.00 1.57 0.11 -1.72 -1.51 114.38 112.95 1jex h ARG 68 Ca -0.28 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.65 1jex h ARG 68 Cb 2.11 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.16 1jex h ARG 68 CO 0.22 0.00 -2.06 -0.85 0.10 0.00 0.00 179.97 177.38 1jex n GLU 69 N -3.00 0.67 0.10 0.08 0.28 -1.22 -4.52 120.64 113.03 1jex n GLU 69 Ca -0.01 -0.08 -0.06 0.00 -0.16 0.00 0.00 57.16 56.84 1jex n GLU 69 Cb 0.16 -1.56 -0.03 0.00 1.43 0.00 0.00 31.44 31.44 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 -0.48 -6.03 -1.84 7.12 -0.41 -3.12 115.31 110.56 1jex h LEU 70 Ca -0.22 0.04 -0.70 0.00 0.13 0.00 0.00 57.88 57.12 1jex h LEU 70 Cb 1.52 0.16 -0.03 0.00 -0.53 0.00 0.00 40.66 41.78 1jex h LEU 70 CO 0.02 -0.23 3.07 -1.20 -0.13 0.00 0.00 178.44 179.96 1jex n SER 71 N -3.38 3.81 -0.07 1.25 7.64 -1.18 -4.52 113.62 117.18 1jex n SER 71 Ca -0.04 -2.82 -0.19 0.00 1.01 0.00 0.00 58.87 56.82 1jex n SER 71 Cb 0.16 -1.61 -0.12 0.00 -1.01 0.00 0.00 64.21 61.63 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 6.16 0.05 0.04 1.43 1.57 -1.81 -3.22 116.57 120.80 1jex h LYS 72 Ca 0.56 -0.08 -0.27 0.00 -1.87 0.00 0.00 60.65 58.99 1jex h LYS 72 Cb 0.64 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1jex h LYS 72 CO 1.90 1.04 -1.40 1.15 -0.57 0.00 0.00 179.45 181.57 1jex h THR 73 N -0.87 1.26 -0.92 -0.16 2.02 -1.89 -3.32 112.91 109.04 1jex h THR 73 Ca -0.23 -2.99 -0.00 0.00 0.77 0.00 0.00 66.41 63.96 1jex h THR 73 Cb 1.30 2.69 -0.04 0.00 -1.74 0.00 0.00 68.15 70.36 1jex h THR 73 CO -0.09 0.78 0.57 1.88 0.37 0.00 0.00 175.52 179.03 1jex h TYR 74 N 0.03 1.20 -0.79 3.16 0.05 -1.87 -3.44 116.97 115.31 1jex h TYR 74 Ca -0.17 0.01 -0.53 0.00 0.05 0.00 0.00 58.73 58.08 1jex h TYR 74 Cb 1.93 -0.40 0.09 0.00 1.01 0.00 0.00 36.73 39.36 1jex h TYR 74 CO 0.02 0.79 -0.41 -0.89 -1.05 0.00 0.00 178.16 176.62 1jex n ILE 75 N -4.37 1.56 -0.12 -2.88 2.08 -1.22 -3.01 119.36 111.41 1jex n ILE 75 Ca 0.10 -0.39 -0.20 0.00 0.56 0.00 0.00 62.75 62.82 1jex n ILE 75 Cb 0.05 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.84 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 0.02 1.31 0.00 1.39 -5.35 -1.11 -4.72 119.36 110.89 1jex n ILE 76 Ca 0.14 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1jex n ILE 76 Cb 0.20 -1.53 0.00 0.00 -1.74 0.00 0.00 39.64 36.57 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 2.02 -0.61 3.38 3.28 0.00 -1.17 -4.83 105.19 107.26 1jex n GLY 77 Ca -0.43 0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.86 1.61 -1.05 -1.26 -2.93 118.70 116.22 1jex s GLU 78 Ca 0.00 0.71 -0.12 0.00 -0.15 0.00 0.00 54.97 55.41 1jex s GLU 78 Cb 0.00 0.42 0.10 0.00 -0.44 0.00 0.00 34.13 34.22 1jex s GLU 78 CO 0.00 -0.11 1.10 1.47 0.95 0.00 0.00 175.26 178.67 1jex n LEU 79 N 4.99 3.55 -3.63 1.83 -0.00 -1.26 -3.98 117.00 118.52 1jex n LEU 79 Ca -0.09 0.51 -0.40 0.00 -0.00 0.00 0.00 56.01 56.02 1jex n LEU 79 Cb 0.53 -1.47 -0.03 0.00 -0.00 0.00 0.00 43.42 42.45 1jex n LEU 79 CO -0.05 -2.06 0.04 1.57 -0.00 0.00 0.00 177.39 176.89 1jex n HIS 80 N -3.65 -0.32 0.11 1.47 -0.00 0.10 -4.70 115.22 108.24 1jex n HIS 80 Ca 0.12 0.80 -0.03 0.00 -0.00 0.00 0.00 57.72 58.62 1jex n HIS 80 Cb 0.51 -1.62 0.08 0.00 -0.00 0.00 0.00 29.99 28.96 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 0.97 0.00 -0.02 1.57 0.13 -1.92 0.54 132.00 133.27 1jex h PRO 81 Ca -0.25 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.71 1jex h PRO 81 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jex h PRO 81 CO 0.47 0.72 -0.76 0.22 -0.23 0.00 0.00 178.00 178.43 1jex h ASP 82 N 0.00 0.18 1.17 1.44 3.58 -2.01 -2.90 116.42 117.88 1jex h ASP 82 Ca -0.01 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1jex h ASP 82 Cb 1.31 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.30 1jex h ASP 82 CO 0.09 0.87 -0.60 0.44 -2.88 0.00 0.00 179.24 177.16 1jex h ASP 83 N 0.09 0.00 0.47 2.28 5.19 -1.88 -3.21 116.42 119.36 1jex h ASP 83 Ca -0.02 -0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 1jex h ASP 83 Cb 1.33 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.82 1jex h ASP 83 CO 0.11 0.04 -0.49 -0.09 -3.12 0.00 0.00 179.24 175.69 1jex h ARG 84 N 0.00 0.02 0.00 3.56 1.12 -0.68 -2.04 114.38 116.36 1jex h ARG 84 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1jex h ARG 84 Cb 0.89 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 1jex h ARG 84 CO 0.00 0.51 -0.60 0.45 -3.11 0.00 0.00 179.97 177.22 1jex n SER 85 N -3.96 0.57 0.04 -3.80 2.88 -1.17 -3.71 113.62 104.47 1jex n SER 85 Ca -0.02 -0.20 -0.05 0.00 -1.33 0.00 0.00 58.87 57.27 1jex n SER 85 Cb 0.51 0.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.00 0.00 -1.46 1.57 -1.43 -3.18 116.57 112.06 1jex h LYS 86 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jex h LYS 86 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jex h LYS 86 CO 0.00 0.69 0.00 -0.89 -0.57 0.00 0.00 179.45 178.68 1jex n ILE 87 N -3.18 1.18 0.00 1.86 5.41 -0.82 -5.10 119.36 118.71 1jex n ILE 87 Ca -0.06 0.63 0.00 0.00 1.00 0.00 0.00 62.75 64.32 1jex n ILE 87 Cb 0.94 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55