#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 4.42 -0.83 1.45 2.47 -1.26 -4.98 119.74 121.00 1jex s LYS 5 Ca 0.00 0.94 -0.20 0.00 -1.56 0.00 0.00 55.97 55.15 1jex s LYS 5 Cb 0.00 -3.33 0.12 0.00 -1.46 0.00 0.00 37.83 33.15 1jex s LYS 5 CO 0.00 0.38 1.05 0.71 0.16 0.00 0.00 175.35 177.65 1jex s TYR 6 N -0.34 3.01 -0.19 4.03 2.02 -1.26 -4.36 117.35 120.26 1jex s TYR 6 Ca 0.35 -1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 55.78 1jex s TYR 6 Cb -0.20 -4.26 -0.05 0.00 -0.40 0.00 0.00 41.96 37.05 1jex s TYR 6 CO 0.21 -1.51 0.18 1.52 -1.57 0.00 0.00 175.55 174.38 1jex s TYR 7 N 2.99 3.42 0.51 2.71 -0.85 -1.26 -4.22 117.35 120.65 1jex s TYR 7 Ca 0.28 0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 57.14 1jex s TYR 7 Cb -0.09 -2.22 -0.05 0.00 0.38 0.00 0.00 41.96 39.98 1jex s TYR 7 CO -0.03 0.27 0.87 0.95 -1.52 0.00 0.00 175.55 176.09 1jex s THR 8 N 0.42 4.79 0.34 -3.49 -4.23 -1.26 -0.12 115.64 112.09 1jex s THR 8 Ca 0.10 0.59 0.25 0.00 -1.18 0.00 0.00 61.69 61.46 1jex s THR 8 Cb -0.12 -3.82 0.39 0.00 1.34 0.00 0.00 72.50 70.29 1jex s THR 8 CO -0.00 -0.85 1.20 0.18 -0.54 0.00 0.00 174.62 174.61 1jex n LEU 9 N -2.12 0.16 -0.51 4.79 4.32 -1.26 0.13 117.00 122.51 1jex n LEU 9 Ca 0.03 1.06 0.40 0.00 -0.02 0.00 0.00 56.01 57.48 1jex n LEU 9 Cb 0.54 -0.52 0.62 0.00 -1.62 0.00 0.00 43.42 42.44 1jex n LEU 9 CO 0.53 -1.14 1.19 1.21 -1.22 0.00 0.00 177.39 177.95 1jex n GLU 10 N -4.20 0.00 -0.11 3.23 2.13 -1.26 0.17 120.64 120.60 1jex n GLU 10 Ca 0.31 0.88 -0.19 0.00 0.66 0.00 0.00 57.16 58.82 1jex n GLU 10 Cb 1.22 -2.07 -0.06 0.00 0.27 0.00 0.00 31.44 30.79 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 -3.45 0.52 -0.34 5.31 -0.58 0.34 -3.56 120.64 118.89 1jex n GLU 11 Ca 0.33 0.22 0.18 0.00 -0.42 0.00 0.00 57.16 57.48 1jex n GLU 11 Cb 1.59 -1.39 0.39 0.00 -0.57 0.00 0.00 31.44 31.46 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 -0.93 0.51 0.00 -3.67 5.03 -0.69 1.30 117.51 119.06 1jex h ILE 12 Ca -0.37 -0.19 -0.13 0.00 -0.12 0.00 0.00 64.86 64.05 1jex h ILE 12 Cb 1.29 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.97 1jex h ILE 12 CO -0.22 0.10 -0.62 0.06 -0.68 0.00 0.00 178.15 176.79 1jex h GLN 13 N 0.56 0.00 0.00 2.37 3.07 0.14 -2.78 115.11 118.47 1jex h GLN 13 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.39 1jex h GLN 13 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1jex h GLN 13 CO -0.49 0.62 0.00 1.17 0.09 0.00 0.00 178.83 180.22 1jex n LYS 14 N -3.47 0.19 -2.80 0.06 0.00 0.41 -3.47 118.16 109.09 1jex n LYS 14 Ca 0.00 0.28 -0.33 0.00 0.00 0.00 0.00 58.31 58.27 1jex n LYS 14 Cb 0.70 -1.78 -0.01 0.00 0.00 0.00 0.00 35.03 33.93 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1jex n HIS 15 N -2.13 3.52 -2.14 5.64 8.25 0.67 -4.79 115.22 124.23 1jex n HIS 15 Ca 0.04 -3.39 -0.33 0.00 -0.26 0.00 0.00 57.72 53.79 1jex n HIS 15 Cb 0.32 -0.78 0.02 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.18 3.10 -3.89 -0.41 4.81 -1.20 -3.57 118.16 116.83 1jex n LYS 16 Ca 0.38 -3.99 -0.11 0.00 -0.87 0.00 0.00 58.31 53.72 1jex n LYS 16 Cb 0.34 -2.26 -0.12 0.00 0.02 0.00 0.00 35.03 33.01 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 -2.37 0.03 0.25 3.14 2.15 -0.97 -5.02 116.67 113.87 1jex s ASP 17 Ca 0.51 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.32 1jex s ASP 17 Cb 0.42 0.16 0.44 0.00 -0.30 0.00 0.00 42.92 43.65 1jex s ASP 17 CO -0.27 -0.19 1.35 -1.54 -0.17 0.00 0.00 175.17 174.35 1jex n SER 18 N 2.23 -0.27 -0.27 -0.34 3.41 -1.26 0.13 113.62 117.24 1jex n SER 18 Ca -0.18 1.49 -0.05 0.00 -0.26 0.00 0.00 58.87 59.86 1jex n SER 18 Cb 0.57 -0.47 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1jex n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jex h LYS 19 N 0.00 -0.12 -3.24 4.33 1.63 -1.96 -3.36 116.57 113.85 1jex h LYS 19 Ca 0.44 0.01 -0.47 0.00 -0.85 0.00 0.00 60.65 59.78 1jex h LYS 19 Cb 0.71 0.03 -0.40 0.00 -0.60 0.00 0.00 32.23 31.96 1jex h LYS 19 CO -0.88 -0.08 -0.75 0.45 -3.45 0.00 0.00 179.45 174.74 1jex s SER 20 N -5.24 2.37 -0.03 4.20 0.15 0.34 -4.89 113.70 110.59 1jex s SER 20 Ca -0.14 -0.59 -0.00 0.00 0.70 0.00 0.00 55.95 55.92 1jex s SER 20 Cb 0.16 -0.34 0.03 0.00 -1.71 0.00 0.00 66.02 64.16 1jex s SER 20 CO 0.69 -0.32 0.03 -0.89 1.20 0.00 0.00 173.24 173.94 1jex s THR 21 N 2.05 0.02 0.36 6.45 2.01 -1.12 -2.30 115.64 123.12 1jex s THR 21 Ca 0.02 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1jex s THR 21 Cb -0.16 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 1jex s THR 21 CO -0.08 0.13 0.06 0.79 -0.69 0.00 0.00 174.62 174.83 1jex n TRP 22 N 4.41 0.51 -3.22 4.92 8.01 -1.25 -2.73 117.44 128.10 1jex n TRP 22 Ca -0.22 -2.04 0.01 0.00 -1.31 0.00 0.00 57.50 53.94 1jex n TRP 22 Cb 0.50 -0.13 -0.02 0.00 -2.01 0.00 0.00 31.31 29.65 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 -2.62 -0.93 -0.06 -0.99 -7.23 -1.11 -3.85 120.40 103.61 1jex s VAL 23 Ca 0.09 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 1jex s VAL 23 Cb 0.00 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 1jex s VAL 23 CO 0.06 -0.02 1.60 0.27 -0.31 0.00 0.00 175.10 176.71 1jex s ILE 24 N 2.81 3.64 0.02 -0.62 -5.25 -1.25 -3.02 121.20 117.53 1jex s ILE 24 Ca 0.18 0.80 -0.02 0.00 -0.99 0.00 0.00 60.65 60.62 1jex s ILE 24 Cb -0.15 -3.51 -0.02 0.00 2.95 0.00 0.00 42.46 41.73 1jex s ILE 24 CO -0.20 -0.07 0.01 -1.48 -1.79 0.00 0.00 174.94 171.42 1jex s LEU 25 N 3.86 2.07 -0.40 0.37 0.05 0.35 -2.94 118.68 122.05 1jex s LEU 25 Ca 0.71 -0.44 0.00 0.00 0.05 0.00 0.00 54.13 54.45 1jex s LEU 25 Cb -0.32 0.25 0.00 0.00 -2.05 0.00 0.00 46.19 44.07 1jex s LEU 25 CO 0.28 -0.33 0.00 1.57 -0.55 0.00 0.00 176.35 177.32 1jex n HIS 26 N 1.52 -1.64 -2.98 3.48 -0.00 -1.26 0.24 115.22 114.58 1jex n HIS 26 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.37 1jex n HIS 26 Cb 0.55 -1.62 0.04 0.00 -0.00 0.00 0.00 29.99 28.96 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 -2.59 -1.39 -3.63 1.57 8.25 -1.26 -5.02 115.22 111.13 1jex n HIS 27 Ca -0.05 0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 57.91 1jex n HIS 27 Cb 0.48 -3.19 -0.04 0.00 1.12 0.00 0.00 29.99 28.36 1jex n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1jex s LYS 28 N -5.44 0.57 0.16 -0.41 -2.85 0.67 -4.65 119.74 107.78 1jex s LYS 28 Ca 0.23 1.40 -0.27 0.00 -1.00 0.00 0.00 55.97 56.33 1jex s LYS 28 Cb -0.10 0.82 -0.08 0.00 -2.06 0.00 0.00 37.83 36.41 1jex s LYS 28 CO 0.37 -0.19 0.83 0.54 0.10 0.00 0.00 175.35 177.00 1jex s VAL 29 N 2.81 4.38 -0.05 1.79 0.11 -1.23 -0.49 120.40 127.71 1jex s VAL 29 Ca -0.06 1.81 0.06 0.00 -2.93 0.00 0.00 61.98 60.87 1jex s VAL 29 Cb -0.11 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 30.53 1jex s VAL 29 CO -0.19 0.47 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.50 1jex s TYR 30 N -0.85 2.45 -1.22 1.54 1.51 -1.17 -3.25 117.35 116.36 1jex s TYR 30 Ca 0.38 -0.59 -0.12 0.00 -1.01 0.00 0.00 57.07 55.73 1jex s TYR 30 Cb -0.23 -1.59 0.18 0.00 -0.11 0.00 0.00 41.96 40.21 1jex s TYR 30 CO 0.27 -0.13 1.53 -3.47 -1.11 0.00 0.00 175.55 172.64 1jex n ASP 31 N 2.78 5.24 -1.13 2.29 -0.08 -1.22 -2.75 116.55 121.68 1jex n ASP 31 Ca -0.17 -3.03 0.01 0.00 -1.51 0.00 0.00 54.79 50.09 1jex n ASP 31 Cb 0.52 -1.53 0.15 0.00 2.34 0.00 0.00 41.12 42.60 1jex n ASP 31 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jex n LEU 32 N 4.91 3.15 0.23 -2.67 -0.00 -1.21 -3.96 117.00 117.45 1jex n LEU 32 Ca 0.37 -1.60 0.10 0.00 -0.00 0.00 0.00 56.01 54.88 1jex n LEU 32 Cb 0.41 -0.59 0.47 0.00 -0.00 0.00 0.00 43.42 43.72 1jex n LEU 32 CO 0.67 0.45 0.82 0.00 -0.00 0.00 0.00 177.39 179.32 1jex h THR 33 N 1.46 0.52 0.00 1.47 1.03 -1.80 0.55 112.91 116.13 1jex h THR 33 Ca 0.04 -1.07 -0.14 0.00 -0.01 0.00 0.00 66.41 65.22 1jex h THR 33 Cb 1.20 1.74 -0.02 0.00 -1.07 0.00 0.00 68.15 70.00 1jex h THR 33 CO 0.24 0.20 -0.78 0.50 -0.01 0.00 0.00 175.52 175.67 1jex h LYS 34 N 0.00 0.00 -0.34 0.00 1.63 -1.90 -3.34 116.57 112.62 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 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1jex h LYS 34 CO 0.03 0.95 0.00 0.34 -3.45 0.00 0.00 179.45 177.31 1jex n PHE 35 N -4.51 0.37 -0.18 1.91 -0.00 -1.21 -4.03 117.46 109.82 1jex n PHE 35 Ca -0.23 -0.17 -0.06 0.00 -0.00 0.00 0.00 57.45 56.99 1jex n PHE 35 Cb 0.59 -0.04 0.03 0.00 -0.00 0.00 0.00 39.48 40.06 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 1.35 0.56 -0.32 -2.13 6.46 -0.01 0.19 115.31 121.41 1jex h LEU 36 Ca 0.00 -0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.68 1jex h LEU 36 Cb 0.42 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1jex h LEU 36 CO 0.03 0.40 -0.36 -0.08 -0.62 0.00 0.00 178.44 177.81 1jex h GLU 37 N 0.67 0.00 -0.00 1.25 4.22 -1.83 -2.87 114.58 116.02 1jex h GLU 37 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1jex h GLU 37 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1jex h GLU 37 CO -0.06 0.36 -0.05 0.39 -2.18 0.00 0.00 179.01 177.47 1jex n GLU 38 N -3.26 0.19 -3.00 1.92 -0.58 -0.59 -4.79 120.64 110.53 1jex n GLU 38 Ca 0.02 -0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1jex n GLU 38 Cb 0.62 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 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 -2.82 3.67 -0.65 -0.32 2.46 0.58 -4.94 115.29 113.28 1jex s HIS 39 Ca 0.19 1.39 0.25 0.00 0.47 0.00 0.00 55.06 57.36 1jex s HIS 39 Cb 0.19 -2.82 0.90 0.00 -0.13 0.00 0.00 32.58 30.73 1jex s HIS 39 CO 0.52 0.20 1.74 -0.35 -2.47 0.00 0.00 174.74 174.38 1jex n PRO 40 N 3.19 0.20 0.00 2.88 -0.04 -1.26 -4.08 135.00 135.90 1jex n PRO 40 Ca -0.02 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1jex n PRO 40 Cb 0.51 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.67 -3.02 0.00 0.55 0.00 -1.26 -5.04 105.19 97.09 1jex n GLY 41 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 1.05 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.40 1jex n GLY 42 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 4.01 -0.02 1.61 2.13 -1.26 -4.52 120.64 122.59 1jex n GLU 43 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1jex n GLU 43 Cb 0.00 -0.71 -0.05 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 -1.21 2.39 -0.10 5.31 0.00 -1.26 -4.32 120.64 121.46 1jex n GLU 44 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 57.16 57.02 1jex n GLU 44 Cb 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 31.44 30.24 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 1.30 -0.02 3.84 3.04 -1.94 1.46 116.25 123.92 1jex h VAL 45 Ca -0.13 -1.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.14 1jex h VAL 45 Cb 1.15 1.52 -0.00 0.00 -2.01 0.00 0.00 31.29 31.95 1jex h VAL 45 CO 0.01 0.46 0.01 -0.07 -1.01 0.00 0.00 177.57 176.97 1jex h LEU 46 N 0.48 0.03 -0.66 3.16 3.38 -1.82 -2.48 115.31 117.40 1jex h LEU 46 Ca 0.06 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1jex h LEU 46 Cb 0.82 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1jex h LEU 46 CO 0.07 0.12 -0.35 0.08 0.09 0.00 0.00 178.44 178.44 1jex h ARG 47 N -0.06 0.00 -1.36 1.13 0.11 -1.74 -3.16 114.38 109.31 1jex h ARG 47 Ca 0.01 0.00 0.39 0.00 0.10 0.00 0.00 59.98 60.48 1jex h ARG 47 Cb 0.09 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.12 1jex h ARG 47 CO -0.00 0.35 1.12 1.49 0.10 0.00 0.00 179.97 183.02 1jex h GLU 48 N 0.00 0.00 -0.79 0.08 4.57 0.25 1.63 114.58 120.33 1jex h GLU 48 Ca -0.00 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.62 1jex h GLU 48 Cb 1.01 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.18 1jex h GLU 48 CO 0.05 0.00 -0.69 1.04 -1.18 0.00 0.00 179.01 178.23 1jex n GLN 49 N -3.80 3.55 -2.35 1.92 1.13 -1.19 -4.83 117.38 111.80 1jex n GLN 49 Ca 0.30 -4.11 -0.40 0.00 -1.94 0.00 0.00 57.00 50.85 1jex n GLN 49 Cb 1.54 -2.28 0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.72 6.30 0.00 -1.58 0.00 0.56 -4.05 120.51 121.02 1jex n ALA 50 Ca 0.45 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.53 1jex n ALA 50 Cb 0.94 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.22 0.10 0.00 0.00 0.00 -1.26 -4.32 105.19 99.93 1jex n GLY 51 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.81 3.39 -0.02 0.00 -1.26 -4.60 105.19 103.80 1jex n GLY 52 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.71 4.61 -0.01 1.61 -4.77 -1.26 -3.80 116.67 113.77 1jex s ASP 53 Ca 0.00 -0.28 0.18 0.00 -3.30 0.00 0.00 52.55 49.15 1jex s ASP 53 Cb 0.00 -1.79 -0.22 0.00 -1.09 0.00 0.00 42.92 39.82 1jex s ASP 53 CO 0.00 0.03 0.65 0.00 0.70 0.00 0.00 175.17 176.55 1jex n ALA 54 N 4.48 3.83 -0.25 2.11 0.00 -1.15 -4.36 120.51 125.17 1jex n ALA 54 Ca -0.17 -0.48 0.32 0.00 0.00 0.00 0.00 53.44 53.10 1jex n ALA 54 Cb 0.51 -0.64 0.74 0.00 0.00 0.00 0.00 19.45 20.06 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 0.47 -0.19 0.00 1.03 -1.91 2.77 112.91 115.08 1jex h THR 55 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.29 1jex h THR 55 Cb 0.54 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1jex h THR 55 CO 0.00 0.00 -0.31 1.05 -0.01 0.00 0.00 175.52 176.25 1jex h GLU 56 N 0.00 0.55 0.03 0.00 4.11 -1.93 0.33 114.58 117.67 1jex h GLU 56 Ca 0.49 -0.34 -0.24 0.00 0.07 0.00 0.00 59.36 59.35 1jex h GLU 56 Cb 1.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 1jex h GLU 56 CO -0.01 0.94 -1.17 -0.91 0.07 0.00 0.00 179.01 177.94 1jex h ASN 57 N 0.21 0.11 -0.23 3.06 2.35 -0.40 -1.86 115.58 118.82 1jex h ASN 57 Ca 0.01 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 1jex h ASN 57 Cb 0.90 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1jex h ASN 57 CO 0.07 1.10 -0.61 0.15 -1.65 0.00 0.00 177.43 176.49 1jex h PHE 58 N 0.02 1.07 0.00 1.19 3.57 0.46 -3.00 116.94 120.25 1jex h PHE 58 Ca -0.08 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1jex h PHE 58 Cb 1.85 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.40 1jex h PHE 58 CO 0.02 1.23 -0.20 1.05 -2.23 0.00 0.00 178.31 178.18 1jex h GLU 59 N 0.63 0.00 0.12 1.11 -0.00 -0.41 -3.31 114.58 112.71 1jex h GLU 59 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.36 1jex h GLU 59 Cb 1.22 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.95 1jex h GLU 59 CO 0.13 0.00 -0.14 0.22 -0.00 0.00 0.00 179.01 179.22 1jex h ASP 60 N 0.00 -0.38 0.57 3.06 3.58 -1.18 0.38 116.42 122.46 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 0.75 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1jex h ASP 60 CO 0.00 -0.21 0.00 1.62 -2.88 0.00 0.00 179.24 177.77 1jex h VAL 61 N -0.30 0.00 -4.45 2.25 3.04 -1.65 -3.47 116.25 111.67 1jex h VAL 61 Ca 0.01 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1jex h VAL 61 Cb 0.30 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1jex h VAL 61 CO -0.05 0.00 -0.33 0.61 -1.01 0.00 0.00 177.57 176.78 1jex n GLY 62 N -0.39 -1.23 3.75 3.17 0.00 0.12 -4.97 105.19 105.64 1jex n GLY 62 Ca 0.00 0.74 -0.40 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.97 3.72 0.74 1.61 3.76 -1.26 -5.02 115.29 116.88 1jex s HIS 63 Ca 0.15 1.76 -0.12 0.00 -0.15 0.00 0.00 55.06 56.70 1jex s HIS 63 Cb -0.04 -3.18 0.04 0.00 1.11 0.00 0.00 32.58 30.51 1jex s HIS 63 CO 0.49 -0.21 1.11 0.45 -0.85 0.00 0.00 174.74 175.73 1jex s SER 64 N -0.87 4.53 0.48 1.40 0.15 -1.26 -4.84 113.70 113.30 1jex s SER 64 Ca 0.44 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.30 1jex s SER 64 Cb -0.30 -2.54 1.40 0.00 -1.71 0.00 0.00 66.02 62.87 1jex s SER 64 CO 0.37 -2.02 1.76 0.71 1.20 0.00 0.00 173.24 175.26 1jex h THR 65 N -0.74 0.00 0.00 6.45 1.35 -2.03 0.88 112.91 118.82 1jex h THR 65 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1jex h THR 65 Cb 1.24 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1jex h THR 65 CO 0.51 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 176.22 1jex h ASP 66 N 0.00 0.00 0.51 5.36 3.32 -1.98 -2.56 116.42 121.08 1jex h ASP 66 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 1jex h ASP 66 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1jex h ASP 66 CO 0.00 0.00 -0.49 1.62 -1.72 0.00 0.00 179.24 178.65 1jex h VAL 67 N 0.00 1.33 -0.58 -1.35 3.04 0.49 -2.73 116.25 116.45 1jex h VAL 67 Ca 0.00 -1.68 -0.06 0.00 -1.01 0.00 0.00 66.70 63.95 1jex h VAL 67 Cb 0.58 1.91 -0.03 0.00 -2.01 0.00 0.00 31.29 31.75 1jex h VAL 67 CO 0.00 0.48 0.13 -0.09 -1.01 0.00 0.00 177.57 177.08 1jex h ARG 68 N 0.00 0.90 -0.92 4.17 9.65 -1.57 -1.87 114.38 124.74 1jex h ARG 68 Ca -0.00 -0.20 -0.31 0.00 -1.10 0.00 0.00 59.98 58.37 1jex h ARG 68 Cb 0.87 -0.13 -0.19 0.00 -1.39 0.00 0.00 29.97 29.14 1jex h ARG 68 CO 0.06 0.81 0.40 -0.85 2.80 0.00 0.00 179.97 183.19 1jex n GLU 69 N -4.26 2.51 -0.10 0.20 0.28 -1.04 -4.26 120.64 113.98 1jex n GLU 69 Ca 0.04 -2.42 -0.13 0.00 -0.16 0.00 0.00 57.16 54.49 1jex n GLU 69 Cb 0.24 -1.98 -0.04 0.00 1.43 0.00 0.00 31.44 31.08 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 -0.49 1.91 -3.97 -1.84 -0.00 -0.70 -4.65 117.00 107.26 1jex n LEU 70 Ca 0.41 0.39 -0.43 0.00 -0.00 0.00 0.00 56.01 56.39 1jex n LEU 70 Cb 1.33 -0.79 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1jex n LEU 70 CO 0.43 -0.12 1.52 -1.54 -0.00 0.00 0.00 177.39 177.68 1jex n SER 71 N -4.45 5.71 -0.06 1.96 3.41 -1.25 -4.71 113.62 114.24 1jex n SER 71 Ca -0.21 -3.24 -0.05 0.00 -0.26 0.00 0.00 58.87 55.11 1jex n SER 71 Cb 0.55 -1.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1jex n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jex h LYS 72 N 5.69 0.00 -0.10 4.33 1.57 -1.82 -3.10 116.57 123.14 1jex h LYS 72 Ca 0.30 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1jex h LYS 72 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1jex h LYS 72 CO 1.46 0.32 -0.32 1.15 -0.57 0.00 0.00 179.45 181.49 1jex h THR 73 N -1.00 1.40 -0.80 -0.16 2.02 -1.98 -3.22 112.91 109.17 1jex h THR 73 Ca -0.01 -1.67 0.16 0.00 0.77 0.00 0.00 66.41 65.66 1jex h THR 73 Cb 0.38 2.21 -0.10 0.00 -1.74 0.00 0.00 68.15 68.89 1jex h THR 73 CO -0.01 0.49 0.34 1.88 0.37 0.00 0.00 175.52 178.58 1jex h TYR 74 N -0.06 0.57 -0.69 3.16 0.05 -1.86 -3.43 116.97 114.71 1jex h TYR 74 Ca -0.01 0.04 -0.47 0.00 0.05 0.00 0.00 58.73 58.34 1jex h TYR 74 Cb 0.95 -0.13 0.08 0.00 1.01 0.00 0.00 36.73 38.63 1jex h TYR 74 CO 0.12 0.05 -0.36 -0.89 -1.05 0.00 0.00 178.16 176.02 1jex n ILE 75 N -5.00 1.37 -0.10 -2.88 2.08 -1.17 -3.44 119.36 110.21 1jex n ILE 75 Ca 0.17 -0.34 -0.21 0.00 0.56 0.00 0.00 62.75 62.92 1jex n ILE 75 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.29 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 1.11 0.00 1.39 -5.35 -1.22 -4.77 119.36 110.54 1jex n ILE 76 Ca 0.12 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1jex n ILE 76 Cb 0.17 -1.74 0.00 0.00 -1.74 0.00 0.00 39.64 36.33 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 1.78 -0.76 3.52 3.28 0.00 -1.20 -4.83 105.19 106.98 1jex n GLY 77 Ca -0.40 0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.87 1.61 -1.05 -1.26 -3.56 118.70 115.76 1jex s GLU 78 Ca 0.00 1.12 -0.14 0.00 -0.15 0.00 0.00 54.97 55.80 1jex s GLU 78 Cb 0.00 0.67 0.01 0.00 -0.44 0.00 0.00 34.13 34.37 1jex s GLU 78 CO 0.00 -0.18 0.46 1.47 0.95 0.00 0.00 175.26 177.96 1jex n LEU 79 N 5.26 0.21 -3.06 1.83 -0.00 -1.26 -4.05 117.00 115.93 1jex n LEU 79 Ca -0.10 0.42 -0.32 0.00 -0.00 0.00 0.00 56.01 56.01 1jex n LEU 79 Cb 0.51 -1.21 -0.02 0.00 -0.00 0.00 0.00 43.42 42.70 1jex n LEU 79 CO -0.04 -3.43 -0.08 1.57 -0.00 0.00 0.00 177.39 175.41 1jex n HIS 80 N -3.16 -0.62 0.11 1.47 -0.00 0.83 -4.66 115.22 109.20 1jex n HIS 80 Ca 0.08 0.62 -0.04 0.00 -0.00 0.00 0.00 57.72 58.38 1jex n HIS 80 Cb 0.52 -1.34 0.06 0.00 -0.00 0.00 0.00 29.99 29.24 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 0.58 0.03 -0.10 1.57 0.13 -1.92 -1.53 132.00 130.76 1jex h PRO 81 Ca -0.21 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 1jex h PRO 81 Cb 1.01 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1jex h PRO 81 CO 0.38 0.77 -0.13 0.22 -0.23 0.00 0.00 178.00 179.01 1jex h ASP 82 N 0.02 0.29 -0.12 1.44 1.82 -2.00 -2.59 116.42 115.29 1jex h ASP 82 Ca -0.01 -0.52 -0.07 0.00 -0.39 0.00 0.00 57.03 56.05 1jex h ASP 82 Cb 1.34 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 41.25 1jex h ASP 82 CO 0.10 0.75 -0.11 0.44 -1.61 0.00 0.00 179.24 178.81 1jex h ASP 83 N -0.16 0.43 -0.78 2.28 5.19 -1.91 -2.16 116.42 119.32 1jex h ASP 83 Ca 0.01 -0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1jex h ASP 83 Cb 0.68 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1jex h ASP 83 CO 0.03 0.58 0.52 -0.09 -3.12 0.00 0.00 179.24 177.16 1jex h ARG 84 N 0.42 1.03 0.00 3.56 1.12 -1.16 0.17 114.38 119.52 1jex h ARG 84 Ca 0.08 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1jex h ARG 84 Cb 0.46 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1jex h ARG 84 CO 0.03 0.68 0.00 0.45 -3.11 0.00 0.00 179.97 178.02 1jex n SER 85 N -4.42 0.44 0.03 -3.80 2.88 -0.85 -2.39 113.62 105.51 1jex n SER 85 Ca 0.09 0.56 0.11 0.00 -1.33 0.00 0.00 58.87 58.30 1jex n SER 85 Cb 0.03 -0.67 0.05 0.00 -0.75 0.00 0.00 64.21 62.87 1jex n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jex n LYS 86 N -1.93 0.25 0.00 -1.46 5.02 0.40 -3.75 118.16 116.69 1jex n LYS 86 Ca 0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.43 1jex n LYS 86 Cb 0.34 -1.59 0.45 0.00 -0.02 0.00 0.00 35.03 34.22 1jex n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1jex n ILE 87 N -1.91 0.40 0.79 -0.18 5.41 -0.12 -5.08 119.36 118.67 1jex n ILE 87 Ca 0.02 0.10 0.06 0.00 1.00 0.00 0.00 62.75 63.94 1jex n ILE 87 Cb 0.42 -0.82 0.38 0.00 -0.71 0.00 0.00 39.64 38.91 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55