#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 4.49 -0.81 1.45 2.47 -1.26 -4.98 119.74 121.10 1jex s LYS 5 Ca 0.00 1.08 -0.20 0.00 -1.56 0.00 0.00 55.97 55.29 1jex s LYS 5 Cb 0.00 -3.43 0.11 0.00 -1.46 0.00 0.00 37.83 33.04 1jex s LYS 5 CO 0.00 0.07 1.04 0.71 0.16 0.00 0.00 175.35 177.33 1jex s TYR 6 N 0.69 2.95 -0.20 4.03 2.02 -1.26 -4.36 117.35 121.22 1jex s TYR 6 Ca 0.42 -1.06 -0.10 0.00 -0.37 0.00 0.00 57.07 55.95 1jex s TYR 6 Cb -0.19 -4.27 -0.05 0.00 -0.40 0.00 0.00 41.96 37.05 1jex s TYR 6 CO 0.22 -1.53 0.15 1.52 -1.57 0.00 0.00 175.55 174.34 1jex s TYR 7 N 3.17 3.41 0.55 2.71 -0.85 -1.26 -4.26 117.35 120.83 1jex s TYR 7 Ca 0.27 0.35 -0.13 0.00 -0.52 0.00 0.00 57.07 57.04 1jex s TYR 7 Cb -0.10 -2.18 -0.06 0.00 0.38 0.00 0.00 41.96 39.99 1jex s TYR 7 CO -0.01 0.28 0.98 0.95 -1.52 0.00 0.00 175.55 176.23 1jex s THR 8 N 0.39 4.64 0.39 -3.49 -4.23 -1.26 -1.05 115.64 111.03 1jex s THR 8 Ca 0.09 0.99 0.31 0.00 -1.18 0.00 0.00 61.69 61.89 1jex s THR 8 Cb -0.11 -3.79 0.47 0.00 1.34 0.00 0.00 72.50 70.40 1jex s THR 8 CO -0.01 -0.89 1.30 0.18 -0.54 0.00 0.00 174.62 174.66 1jex n LEU 9 N -2.10 0.13 -0.21 4.79 4.32 -1.26 0.22 117.00 122.90 1jex n LEU 9 Ca 0.06 1.07 0.29 0.00 -0.02 0.00 0.00 56.01 57.41 1jex n LEU 9 Cb 0.54 -0.53 0.56 0.00 -1.62 0.00 0.00 43.42 42.37 1jex n LEU 9 CO 0.52 -1.15 1.27 -0.08 -1.22 0.00 0.00 177.39 176.73 1jex h GLU 10 N 0.00 0.00 0.00 3.23 4.81 -1.99 1.50 114.58 122.14 1jex h GLU 10 Ca 0.74 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.83 1jex h GLU 10 Cb 2.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.91 1jex h GLU 10 CO -0.29 0.00 -1.32 0.39 -0.73 0.00 0.00 179.01 177.06 1jex n GLU 11 N -3.45 0.53 -0.32 1.92 -0.58 0.61 -3.94 120.64 115.40 1jex n GLU 11 Ca 0.22 0.33 0.16 0.00 -0.42 0.00 0.00 57.16 57.45 1jex n GLU 11 Cb 1.38 -1.54 0.39 0.00 -0.57 0.00 0.00 31.44 31.10 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 0.68 -0.74 -3.67 5.03 -1.08 0.33 117.51 117.06 1jex h ILE 12 Ca -0.22 -0.22 0.02 0.00 -0.12 0.00 0.00 64.86 64.32 1jex h ILE 12 Cb 1.09 -0.01 -0.04 0.00 -3.03 0.00 0.00 36.82 34.83 1jex h ILE 12 CO -0.13 0.12 0.48 1.56 -0.68 0.00 0.00 178.15 179.50 1jex h GLN 13 N 0.64 0.94 0.00 2.37 1.08 0.18 0.19 115.11 120.51 1jex h GLN 13 Ca 0.55 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1jex h GLN 13 Cb 1.03 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1jex h GLN 13 CO -0.32 0.62 0.00 1.63 -0.95 0.00 0.00 178.83 179.81 1jex n LYS 14 N -4.60 0.28 -1.83 1.46 5.02 0.10 -3.01 118.16 115.59 1jex n LYS 14 Ca 0.08 0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 56.11 1jex n LYS 14 Cb 0.05 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.60 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jex n HIS 15 N -1.31 3.10 -2.61 2.13 8.25 0.68 -4.72 115.22 120.75 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 0.19 -0.97 -0.00 0.00 1.12 0.00 0.00 29.99 30.32 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 -0.68 3.93 -3.65 -0.41 4.81 -1.09 -3.31 118.16 117.76 1jex n LYS 16 Ca 0.53 -4.54 -0.13 0.00 -0.87 0.00 0.00 58.31 53.30 1jex n LYS 16 Cb 0.55 -2.32 -0.06 0.00 0.02 0.00 0.00 35.03 33.22 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 -2.41 -0.33 0.29 3.14 -1.08 -0.55 -5.02 116.67 110.71 1jex s ASP 17 Ca 0.46 0.08 -0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1jex s ASP 17 Cb 0.29 0.43 0.66 0.00 -1.46 0.00 0.00 42.92 42.85 1jex s ASP 17 CO -0.19 -0.65 1.60 0.77 0.52 0.00 0.00 175.17 177.22 1jex h SER 18 N 3.04 -0.35 -0.14 -0.34 4.64 -1.94 0.33 113.55 118.79 1jex h SER 18 Ca -0.31 0.24 0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1jex h SER 18 Cb 1.20 0.41 -0.07 0.00 -0.31 0.00 0.00 62.40 63.63 1jex h SER 18 CO 0.42 -0.27 -0.41 0.50 -0.87 0.00 0.00 176.83 176.20 1jex h LYS 19 N 0.07 -0.47 -3.92 4.77 1.63 -1.96 -3.38 116.57 113.32 1jex h LYS 19 Ca 0.54 0.03 -0.55 0.00 -0.85 0.00 0.00 60.65 59.82 1jex h LYS 19 Cb 1.08 0.11 -0.39 0.00 -0.60 0.00 0.00 32.23 32.42 1jex h LYS 19 CO -0.80 -0.31 -0.78 -1.12 -3.45 0.00 0.00 179.45 172.99 1jex s SER 20 N -4.88 3.21 -0.10 4.20 0.01 0.11 -4.87 113.70 111.37 1jex s SER 20 Ca -0.15 -0.91 -0.03 0.00 1.31 0.00 0.00 55.95 56.16 1jex s SER 20 Cb 0.09 -0.84 0.05 0.00 0.21 0.00 0.00 66.02 65.54 1jex s SER 20 CO 0.64 -0.26 0.16 -0.89 0.41 0.00 0.00 173.24 173.30 1jex s THR 21 N 1.67 -0.25 0.39 1.44 2.01 -1.06 -1.48 115.64 118.37 1jex s THR 21 Ca -0.02 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1jex s THR 21 Cb -0.17 -0.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1jex s THR 21 CO -0.07 0.08 0.05 0.79 -0.69 0.00 0.00 174.62 174.79 1jex n TRP 22 N 5.32 0.62 -3.23 4.92 8.01 -1.24 -2.93 117.44 128.91 1jex n TRP 22 Ca -0.05 -2.16 -0.00 0.00 -1.31 0.00 0.00 57.50 53.98 1jex n TRP 22 Cb 0.50 -0.17 -0.03 0.00 -2.01 0.00 0.00 31.31 29.60 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 -2.67 -0.88 -0.06 -0.99 -7.23 -1.11 -4.05 120.40 103.42 1jex s VAL 23 Ca 0.07 -0.02 -0.32 0.00 -1.81 0.00 0.00 61.98 59.90 1jex s VAL 23 Cb 0.00 -0.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.90 1jex s VAL 23 CO 0.05 -0.04 1.96 0.00 -0.31 0.00 0.00 175.10 176.76 1jex n ILE 24 N 5.41 0.64 -2.05 -0.62 3.06 -1.24 -2.90 119.36 121.65 1jex n ILE 24 Ca -0.02 -0.15 -0.40 0.00 -2.50 0.00 0.00 62.75 59.68 1jex n ILE 24 Cb 0.51 -2.10 0.04 0.00 0.54 0.00 0.00 39.64 38.62 1jex n ILE 24 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 1jex n LEU 25 N 7.49 7.49 -2.24 9.51 4.77 0.27 -3.54 117.00 140.74 1jex n LEU 25 Ca 0.23 -4.94 -0.00 0.00 -0.03 0.00 0.00 56.01 51.26 1jex n LEU 25 Cb 0.35 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1jex n LEU 25 CO 0.71 1.82 0.16 1.41 -1.33 0.00 0.00 177.39 180.15 1jex n HIS 26 N -0.45 -1.47 -2.73 -1.77 8.25 -1.26 -4.10 115.22 111.69 1jex n HIS 26 Ca 0.53 0.56 -0.11 0.00 -0.26 0.00 0.00 57.72 58.44 1jex n HIS 26 Cb 0.24 -2.76 0.02 0.00 1.12 0.00 0.00 29.99 28.61 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 -1.28 -1.04 -2.90 4.41 -0.00 -1.26 -4.98 115.22 108.18 1jex n HIS 27 Ca 0.01 0.31 0.01 0.00 -0.00 0.00 0.00 57.72 58.05 1jex n HIS 27 Cb 0.47 -2.69 0.00 0.00 -0.00 0.00 0.00 29.99 27.77 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 -5.23 0.41 0.33 1.57 -2.85 -1.26 -4.68 119.74 108.03 1jex s LYS 28 Ca 0.18 -0.16 -0.23 0.00 -1.00 0.00 0.00 55.97 54.75 1jex s LYS 28 Cb -0.08 0.04 -0.10 0.00 -2.06 0.00 0.00 37.83 35.63 1jex s LYS 28 CO 0.22 -0.58 0.90 0.54 0.10 0.00 0.00 175.35 176.53 1jex s VAL 29 N 1.84 4.33 -0.06 1.79 0.11 -1.01 0.95 120.40 128.35 1jex s VAL 29 Ca 0.16 1.62 0.05 0.00 -2.93 0.00 0.00 61.98 60.88 1jex s VAL 29 Cb 0.01 -3.88 -0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1jex s VAL 29 CO -0.12 0.04 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.17 1jex s TYR 30 N -1.74 2.10 -0.98 1.54 1.51 -1.14 -3.11 117.35 115.54 1jex s TYR 30 Ca 0.52 -0.68 -0.17 0.00 -1.01 0.00 0.00 57.07 55.73 1jex s TYR 30 Cb -0.16 -1.41 0.15 0.00 -0.11 0.00 0.00 41.96 40.43 1jex s TYR 30 CO 0.21 -0.24 1.16 0.34 -1.11 0.00 0.00 175.55 175.91 1jex s ASP 31 N 0.07 6.73 -0.14 2.29 2.15 -1.22 -2.75 116.67 123.81 1jex s ASP 31 Ca -0.07 -2.29 0.14 0.00 0.43 0.00 0.00 52.55 50.75 1jex s ASP 31 Cb -0.14 -2.38 0.65 0.00 -0.30 0.00 0.00 42.92 40.75 1jex s ASP 31 CO 0.04 -0.96 1.52 0.00 -0.17 0.00 0.00 175.17 175.60 1jex n LEU 32 N 6.14 4.50 0.25 -1.34 -0.00 -1.19 -4.24 117.00 121.12 1jex n LEU 32 Ca 0.26 -2.28 0.17 0.00 -0.00 0.00 0.00 56.01 54.16 1jex n LEU 32 Cb 0.48 -0.59 0.79 0.00 -0.00 0.00 0.00 43.42 44.10 1jex n LEU 32 CO 0.51 0.64 1.00 0.00 -0.00 0.00 0.00 177.39 179.55 1jex h THR 33 N 3.44 0.00 0.00 1.47 1.03 -1.83 1.04 112.91 118.05 1jex h THR 33 Ca 0.00 -0.22 -0.15 0.00 -0.01 0.00 0.00 66.41 66.02 1jex h THR 33 Cb 1.48 1.09 -0.02 0.00 -1.07 0.00 0.00 68.15 69.62 1jex h THR 33 CO 0.29 0.00 -1.01 0.50 -0.01 0.00 0.00 175.52 175.29 1jex h LYS 34 N 0.00 0.00 -0.18 0.00 1.63 -1.89 -3.36 116.57 112.76 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 0.25 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1jex h LYS 34 CO 0.00 0.66 0.00 1.97 -3.45 0.00 0.00 179.45 178.63 1jex n PHE 35 N -4.50 0.22 -0.20 1.91 -1.74 -1.12 -4.00 117.46 108.02 1jex n PHE 35 Ca -0.24 -0.11 -0.01 0.00 -0.56 0.00 0.00 57.45 56.53 1jex n PHE 35 Cb 0.54 -0.01 0.09 0.00 1.52 0.00 0.00 39.48 41.63 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 0.92 0.37 -0.46 5.98 6.46 0.97 0.32 115.31 129.87 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 0.23 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1jex h LEU 36 CO 0.00 0.23 -0.32 -0.08 -0.62 0.00 0.00 178.44 177.66 1jex h GLU 37 N 0.52 0.00 -0.00 1.25 4.81 -1.83 -2.77 114.58 116.56 1jex h GLU 37 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1jex h GLU 37 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jex h GLU 37 CO -0.23 0.32 -0.07 0.39 -0.73 0.00 0.00 179.01 178.69 1jex n GLU 38 N -3.28 0.60 -3.08 1.92 1.02 0.10 -4.80 120.64 113.13 1jex n GLU 38 Ca 0.01 -0.14 -0.39 0.00 -0.02 0.00 0.00 57.16 56.62 1jex n GLU 38 Cb 0.58 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.49 3.65 -0.57 -0.32 2.46 0.90 -4.94 115.29 113.99 1jex s HIS 39 Ca 0.29 1.30 0.25 0.00 0.47 0.00 0.00 55.06 57.37 1jex s HIS 39 Cb 0.20 -2.75 0.90 0.00 -0.13 0.00 0.00 32.58 30.80 1jex s HIS 39 CO 0.47 0.22 1.75 -1.00 -2.47 0.00 0.00 174.74 173.71 1jex h PRO 40 N 6.13 0.00 0.00 2.88 0.13 -1.87 -3.36 132.00 135.91 1jex h PRO 40 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1jex h PRO 40 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jex h PRO 40 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1jex n GLY 41 N 0.64 -2.95 0.00 1.56 0.00 -1.26 -5.04 105.19 98.14 1jex n GLY 41 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.50 1.10 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.52 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 4.21 0.00 1.61 2.13 -1.26 -4.50 120.64 122.83 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 -0.62 0.01 0.00 0.27 0.00 0.00 31.44 31.10 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 -1.04 0.01 -0.10 5.31 0.00 -1.26 -4.37 120.64 119.19 1jex n GLU 44 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 57.16 56.51 1jex n GLU 44 Cb 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 31.44 30.29 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 -0.01 1.39 0.05 3.84 3.14 -1.26 -2.65 118.33 122.83 1jex n VAL 45 Ca 0.01 -0.86 -0.16 0.00 -2.96 0.00 0.00 64.34 60.38 1jex n VAL 45 Cb 0.05 -0.47 -0.06 0.00 -1.06 0.00 0.00 33.84 32.29 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 0.69 0.00 6.55 3.38 -1.81 -3.21 115.31 120.92 1jex h LEU 46 Ca -0.55 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 56.82 1jex h LEU 46 Cb 2.24 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1jex h LEU 46 CO 0.03 1.34 -0.87 0.08 0.09 0.00 0.00 178.44 179.11 1jex h ARG 47 N 0.31 0.00 -0.60 1.13 0.11 -1.76 -3.32 114.38 110.24 1jex h ARG 47 Ca -0.09 0.00 0.17 0.00 0.10 0.00 0.00 59.98 60.16 1jex h ARG 47 Cb 1.60 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.66 1jex h ARG 47 CO 0.18 0.15 0.76 1.49 0.10 0.00 0.00 179.97 182.65 1jex h GLU 48 N 0.00 0.00 -0.27 0.08 4.22 -1.50 1.22 114.58 118.33 1jex h GLU 48 Ca -0.05 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.19 1jex h GLU 48 Cb 1.22 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.28 1jex h GLU 48 CO 0.02 0.00 -0.67 1.04 -2.18 0.00 0.00 179.01 177.22 1jex n GLN 49 N -3.41 2.15 -1.34 1.92 1.13 -1.25 -4.85 117.38 111.74 1jex n GLN 49 Ca 0.12 -3.51 -0.25 0.00 -1.94 0.00 0.00 57.00 51.43 1jex n GLN 49 Cb 0.97 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 29.51 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 -0.84 6.65 0.00 -1.58 0.00 0.42 -3.36 120.51 121.80 1jex n ALA 50 Ca 0.26 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.91 1jex n ALA 50 Cb 0.82 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 2.05 0.10 0.00 0.00 0.00 -1.26 -4.16 105.19 101.91 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 -0.69 2.71 3.35 -0.02 0.00 -1.21 -4.83 105.19 104.50 1jex n GLY 52 Ca 0.00 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.51 4.65 0.05 1.61 -4.77 -1.26 -3.70 116.67 112.75 1jex s ASP 53 Ca 0.00 -0.42 0.23 0.00 -3.30 0.00 0.00 52.55 49.06 1jex s ASP 53 Cb 0.00 -1.81 0.05 0.00 -1.09 0.00 0.00 42.92 40.07 1jex s ASP 53 CO 0.00 -0.06 1.02 0.00 0.70 0.00 0.00 175.17 176.84 1jex n ALA 54 N 4.84 3.42 -0.07 2.11 0.00 -1.23 -4.09 120.51 125.48 1jex n ALA 54 Ca -0.17 -0.41 0.26 0.00 0.00 0.00 0.00 53.44 53.12 1jex n ALA 54 Cb 0.50 -0.97 0.69 0.00 0.00 0.00 0.00 19.45 19.68 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 0.34 -0.12 0.00 1.03 -1.90 2.85 112.91 115.10 1jex h THR 55 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.31 1jex h THR 55 Cb 0.73 0.48 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 1jex h THR 55 CO 0.00 0.00 -0.29 1.05 -0.01 0.00 0.00 175.52 176.27 1jex h GLU 56 N 0.00 0.42 0.02 0.00 4.11 -1.93 0.65 114.58 117.85 1jex h GLU 56 Ca 0.35 -0.28 -0.25 0.00 0.07 0.00 0.00 59.36 59.25 1jex h GLU 56 Cb 1.70 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.96 1jex h GLU 56 CO -0.00 0.89 -1.28 -0.91 0.07 0.00 0.00 179.01 177.77 1jex h ASN 57 N 0.00 0.05 -0.39 3.06 2.35 -0.39 -2.81 115.58 117.46 1jex h ASN 57 Ca -0.00 -0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.53 1jex h ASN 57 Cb 0.89 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1jex h ASN 57 CO 0.06 1.06 -0.32 0.15 -1.65 0.00 0.00 177.43 176.73 1jex h PHE 58 N 0.01 1.09 0.00 1.19 3.04 0.48 -2.82 116.94 119.93 1jex h PHE 58 Ca -0.12 -0.30 -0.05 0.00 3.98 0.00 0.00 57.97 61.47 1jex h PHE 58 Cb 1.88 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 40.14 1jex h PHE 58 CO 0.01 1.12 -0.25 1.05 -2.02 0.00 0.00 178.31 178.21 1jex h GLU 59 N 0.77 0.00 0.77 1.11 -0.00 -0.95 -3.18 114.58 113.10 1jex h GLU 59 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.40 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 0.25 -0.41 0.22 -0.00 0.00 0.00 179.01 179.16 1jex h ASP 60 N 0.00 -0.99 0.01 3.06 3.58 -1.23 -0.98 116.42 119.87 1jex h ASP 60 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1jex h ASP 60 Cb 1.02 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1jex h ASP 60 CO 0.03 -0.66 0.00 1.62 -2.88 0.00 0.00 179.24 177.35 1jex h VAL 61 N -1.08 0.00 -4.41 2.25 3.04 -1.59 -3.46 116.25 110.99 1jex h VAL 61 Ca -0.10 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.58 1jex h VAL 61 Cb 0.85 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1jex h VAL 61 CO 0.15 0.00 -0.30 0.61 -1.01 0.00 0.00 177.57 177.02 1jex n GLY 62 N -1.11 -1.07 3.73 3.17 0.00 -0.37 -4.95 105.19 104.58 1jex n GLY 62 Ca -0.03 0.73 -0.41 0.00 0.00 0.00 0.00 46.02 46.31 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 3.39 0.95 1.61 3.76 -1.24 -5.00 115.29 116.74 1jex s HIS 63 Ca 0.15 1.34 -0.11 0.00 -0.15 0.00 0.00 55.06 56.29 1jex s HIS 63 Cb -0.04 -3.47 0.17 0.00 1.11 0.00 0.00 32.58 30.34 1jex s HIS 63 CO 0.48 -1.39 1.10 -1.54 -0.85 0.00 0.00 174.74 172.53 1jex s SER 64 N 0.37 2.75 0.00 1.40 1.04 -1.26 -4.87 113.70 113.13 1jex s SER 64 Ca 0.55 1.82 0.19 0.00 0.48 0.00 0.00 55.95 59.00 1jex s SER 64 Cb -0.33 -2.41 0.94 0.00 0.10 0.00 0.00 66.02 64.32 1jex s SER 64 CO 0.35 -3.15 1.60 0.41 0.98 0.00 0.00 173.24 173.43 1jex n THR 65 N -4.24 0.47 1.16 2.02 -1.04 -1.26 -1.71 114.28 109.68 1jex n THR 65 Ca 0.08 0.12 0.13 0.00 -2.04 0.00 0.00 64.05 62.34 1jex n THR 65 Cb 0.53 -0.80 0.46 0.00 -1.82 0.00 0.00 70.33 68.70 1jex n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1jex n ASP 66 N -1.33 0.45 0.10 8.00 9.92 -1.26 -3.51 116.55 128.92 1jex n ASP 66 Ca 0.08 -0.27 -0.01 0.00 -0.53 0.00 0.00 54.79 54.06 1jex n ASP 66 Cb 0.17 -0.03 0.28 0.00 -0.64 0.00 0.00 41.12 40.90 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1jex h VAL 67 N 0.34 1.27 -0.89 2.53 3.04 -1.68 -2.60 116.25 118.26 1jex h VAL 67 Ca 0.00 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1jex h VAL 67 Cb 0.46 1.54 -0.04 0.00 -2.01 0.00 0.00 31.29 31.23 1jex h VAL 67 CO 0.00 0.39 0.55 -0.09 -1.01 0.00 0.00 177.57 177.41 1jex h ARG 68 N 0.21 1.20 -0.26 4.17 2.43 -1.76 -0.47 114.38 119.89 1jex h ARG 68 Ca 0.03 -0.10 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1jex h ARG 68 Cb 0.68 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1jex h ARG 68 CO 0.05 0.83 0.34 1.05 -1.51 0.00 0.00 179.97 180.73 1jex h GLU 69 N 1.23 0.00 0.00 0.20 4.11 -1.67 -0.78 114.58 117.66 1jex h GLU 69 Ca 0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.71 1jex h GLU 69 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1jex h GLU 69 CO -0.06 0.00 -0.39 -0.07 0.07 0.00 0.00 179.01 178.56 1jex h LEU 70 N 0.00 0.00 -1.85 3.06 -0.00 -1.19 -3.33 115.31 112.00 1jex h LEU 70 Ca 0.13 -0.25 0.38 0.00 -0.00 0.00 0.00 57.88 58.13 1jex h LEU 70 Cb 0.80 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.41 1jex h LEU 70 CO -0.00 0.84 1.04 0.77 -0.00 0.00 0.00 178.44 181.08 1jex h SER 71 N -1.00 0.00 -1.51 -0.43 4.64 -0.72 0.39 113.55 114.91 1jex h SER 71 Ca -0.06 0.00 0.48 0.00 -0.47 0.00 0.00 61.79 61.74 1jex h SER 71 Cb 0.56 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.54 1jex h SER 71 CO -0.04 0.00 1.02 0.11 -0.87 0.00 0.00 176.83 177.05 1jex h LYS 72 N 0.00 0.04 0.00 4.77 6.56 -1.28 0.64 116.57 127.30 1jex h LYS 72 Ca 0.62 -0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.89 1jex h LYS 72 Cb 2.69 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 34.28 1jex h LYS 72 CO -0.01 0.03 -2.22 2.41 -2.06 0.00 0.00 179.45 177.60 1jex n THR 73 N -4.46 1.22 -3.00 -0.16 -1.04 0.13 -4.65 114.28 102.32 1jex n THR 73 Ca 0.39 -0.73 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 1jex n THR 73 Cb 1.62 -0.60 0.01 0.00 -1.82 0.00 0.00 70.33 69.54 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 -2.70 2.24 -4.04 -1.42 4.01 0.22 -4.96 117.16 110.51 1jex n TYR 74 Ca -0.30 -2.57 -0.11 0.00 -0.16 0.00 0.00 57.90 54.76 1jex n TYR 74 Cb 1.06 -1.26 -0.11 0.00 -0.31 0.00 0.00 39.34 38.73 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 -2.80 0.34 0.00 -0.72 -1.09 -0.94 -3.40 121.20 112.60 1jex s ILE 75 Ca 0.31 -1.14 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1jex s ILE 75 Cb 0.05 -0.62 0.00 0.00 -1.58 0.00 0.00 42.46 40.30 1jex s ILE 75 CO 0.11 -0.52 0.00 2.30 -1.23 0.00 0.00 174.94 175.59 1jex n ILE 76 N 1.29 0.00 0.00 2.92 -5.35 -1.22 -4.54 119.36 112.46 1jex n ILE 76 Ca -0.22 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1jex n ILE 76 Cb 0.56 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.67 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 3.05 0.01 3.51 3.28 0.00 -1.18 -4.73 105.19 109.12 1jex n GLY 77 Ca 0.00 -0.18 0.00 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 0.43 1.00 1.61 -1.05 -1.26 -2.40 118.70 117.02 1jex s GLU 78 Ca 0.00 1.07 -0.16 0.00 -0.15 0.00 0.00 54.97 55.73 1jex s GLU 78 Cb 0.00 0.64 -0.01 0.00 -0.44 0.00 0.00 34.13 34.32 1jex s GLU 78 CO 0.00 -0.15 -0.09 1.47 0.95 0.00 0.00 175.26 177.44 1jex n LEU 79 N 5.21 -2.15 -4.39 1.83 -0.00 -1.26 -4.16 117.00 112.08 1jex n LEU 79 Ca -0.10 0.19 -0.45 0.00 -0.00 0.00 0.00 56.01 55.65 1jex n LEU 79 Cb 0.51 -1.01 -0.01 0.00 -0.00 0.00 0.00 43.42 42.91 1jex n LEU 79 CO -0.04 -4.03 -0.08 1.57 -0.00 0.00 0.00 177.39 174.80 1jex n HIS 80 N -3.48 -0.85 0.11 1.47 -0.00 -0.22 -4.65 115.22 107.61 1jex n HIS 80 Ca 0.03 0.78 -0.03 0.00 -0.00 0.00 0.00 57.72 58.50 1jex n HIS 80 Cb 0.57 -1.93 0.07 0.00 -0.00 0.00 0.00 29.99 28.70 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 0.84 0.00 -0.21 1.57 0.13 -1.93 -0.34 132.00 132.06 1jex h PRO 81 Ca -0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 1jex h PRO 81 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1jex h PRO 81 CO 0.53 0.74 -0.65 0.22 -0.23 0.00 0.00 178.00 178.61 1jex h ASP 82 N 0.00 0.89 1.31 1.44 3.58 -2.00 -2.82 116.42 118.81 1jex h ASP 82 Ca -0.01 -0.52 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 1jex h ASP 82 Cb 1.32 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1jex h ASP 82 CO 0.10 1.31 -0.41 0.44 -2.88 0.00 0.00 179.24 177.80 1jex h ASP 83 N 0.57 0.00 -0.09 2.28 5.19 -1.90 -3.09 116.42 119.38 1jex h ASP 83 Ca -0.02 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.32 1jex h ASP 83 Cb 1.26 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1jex h ASP 83 CO 0.14 0.41 -0.14 -0.09 -3.12 0.00 0.00 179.24 176.43 1jex h ARG 84 N 0.00 0.43 0.00 3.56 1.12 -0.87 -0.92 114.38 117.70 1jex h ARG 84 Ca -0.00 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 1jex h ARG 84 Cb 1.17 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 31.09 1jex h ARG 84 CO 0.05 0.57 0.00 0.45 -3.11 0.00 0.00 179.97 177.93 1jex n SER 85 N -4.21 0.00 0.05 -3.80 2.88 -1.08 -2.57 113.62 104.89 1jex n SER 85 Ca 0.00 0.47 -0.02 0.00 -1.33 0.00 0.00 58.87 57.99 1jex n SER 85 Cb 0.32 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.21 -3.21 116.57 112.26 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1jex h LYS 86 CO 0.00 0.50 0.00 -0.89 -0.57 0.00 0.00 179.45 178.49 1jex n ILE 87 N -3.08 1.37 0.00 1.86 2.08 -1.06 -5.12 119.36 115.41 1jex n ILE 87 Ca -0.06 0.48 0.00 0.00 0.56 0.00 0.00 62.75 63.73 1jex n ILE 87 Cb 0.87 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11