#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 4.05 -0.62 1.45 0.00 -1.26 -4.97 119.74 118.39 1jex s LYS 5 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 55.97 56.06 1jex s LYS 5 Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 37.83 34.56 1jex s LYS 5 CO 0.00 0.50 1.23 0.71 0.00 0.00 0.00 175.35 177.79 1jex s TYR 6 N -0.46 2.50 -0.17 1.78 2.02 -1.26 -4.56 117.35 117.21 1jex s TYR 6 Ca 0.23 0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 57.18 1jex s TYR 6 Cb -0.16 -4.54 -0.03 0.00 -0.40 0.00 0.00 41.96 36.83 1jex s TYR 6 CO 0.11 -1.74 0.00 1.52 -1.57 0.00 0.00 175.55 173.88 1jex s TYR 7 N 5.22 3.12 0.52 2.71 -0.85 -1.25 -4.38 117.35 122.44 1jex s TYR 7 Ca 0.41 -0.15 -0.12 0.00 -0.52 0.00 0.00 57.07 56.69 1jex s TYR 7 Cb -0.08 -2.01 -0.06 0.00 0.38 0.00 0.00 41.96 40.20 1jex s TYR 7 CO 0.23 0.04 0.93 0.95 -1.52 0.00 0.00 175.55 176.17 1jex s THR 8 N 0.38 4.69 0.31 -3.49 -4.23 -1.26 -1.23 115.64 110.80 1jex s THR 8 Ca -0.01 0.87 0.20 0.00 -1.18 0.00 0.00 61.69 61.57 1jex s THR 8 Cb -0.13 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.24 1jex s THR 8 CO 0.02 -0.82 1.20 0.18 -0.54 0.00 0.00 174.62 174.66 1jex n LEU 9 N -1.96 0.22 -0.67 4.79 4.32 -1.26 0.21 117.00 122.64 1jex n LEU 9 Ca 0.05 1.17 0.51 0.00 -0.02 0.00 0.00 56.01 57.71 1jex n LEU 9 Cb 0.54 -0.57 0.78 0.00 -1.62 0.00 0.00 43.42 42.55 1jex n LEU 9 CO 0.51 -1.29 1.42 1.21 -1.22 0.00 0.00 177.39 178.02 1jex n GLU 10 N -4.48 0.00 -0.10 3.23 2.13 -1.26 0.18 120.64 120.34 1jex n GLU 10 Ca 0.30 1.04 -0.17 0.00 0.66 0.00 0.00 57.16 58.98 1jex n GLU 10 Cb 1.08 -2.40 -0.07 0.00 0.27 0.00 0.00 31.44 30.33 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 -3.82 0.54 -0.35 5.31 -0.58 0.57 -3.91 120.64 118.40 1jex n GLU 11 Ca 0.42 0.39 0.15 0.00 -0.42 0.00 0.00 57.16 57.70 1jex n GLU 11 Cb 1.93 -1.59 0.35 0.00 -0.57 0.00 0.00 31.44 31.56 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 0.62 -0.98 -3.67 2.04 -0.67 0.54 117.51 114.40 1jex h ILE 12 Ca -0.29 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1jex h ILE 12 Cb 1.14 -0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1jex h ILE 12 CO -0.18 0.12 0.65 1.56 0.00 0.00 0.00 178.15 180.30 1jex h GLN 13 N 0.68 1.25 0.00 2.37 1.08 0.18 0.30 115.11 120.96 1jex h GLN 13 Ca 0.61 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1jex h GLN 13 Cb 1.05 -0.28 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1jex h GLN 13 CO -0.43 0.83 0.00 1.63 -0.95 0.00 0.00 178.83 179.91 1jex n LYS 14 N -4.41 0.27 -2.23 1.46 4.76 0.18 -2.80 118.16 115.39 1jex n LYS 14 Ca 0.12 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.37 1jex n LYS 14 Cb 0.05 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.76 1jex n LYS 14 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jex n HIS 15 N -1.29 3.22 -3.02 2.13 8.25 0.11 -4.83 115.22 119.78 1jex n HIS 15 Ca 0.09 -2.81 -0.34 0.00 -0.26 0.00 0.00 57.72 54.39 1jex n HIS 15 Cb 0.16 -0.43 -0.02 0.00 1.12 0.00 0.00 29.99 30.81 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 -0.55 3.88 -3.49 -0.41 4.81 -1.12 -3.53 118.16 117.75 1jex n LYS 16 Ca 0.44 -4.69 -0.16 0.00 -0.87 0.00 0.00 58.31 53.03 1jex n LYS 16 Cb 0.61 -2.37 -0.05 0.00 0.02 0.00 0.00 35.03 33.25 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 -2.29 -0.62 0.26 3.14 2.15 -1.08 -5.01 116.67 113.21 1jex s ASP 17 Ca 0.40 0.46 -0.11 0.00 0.43 0.00 0.00 52.55 53.73 1jex s ASP 17 Cb 0.16 0.56 0.37 0.00 -0.30 0.00 0.00 42.92 43.72 1jex s ASP 17 CO -0.04 -0.73 1.58 0.77 -0.17 0.00 0.00 175.17 176.58 1jex h SER 18 N 2.66 -0.89 -0.57 -0.34 4.64 -1.96 0.16 113.55 117.25 1jex h SER 18 Ca -0.29 0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1jex h SER 18 Cb 1.20 0.57 -0.09 0.00 -0.31 0.00 0.00 62.40 63.77 1jex h SER 18 CO 0.39 -0.30 -0.51 0.11 -0.87 0.00 0.00 176.83 175.66 1jex h LYS 19 N -0.01 -0.20 -3.47 4.77 1.79 -1.96 -3.35 116.57 114.14 1jex h LYS 19 Ca 0.42 0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 58.34 1jex h LYS 19 Cb 0.65 0.05 -0.40 0.00 -1.58 0.00 0.00 32.23 30.94 1jex h LYS 19 CO -0.92 -0.14 -0.76 0.45 -1.08 0.00 0.00 179.45 177.00 1jex s SER 20 N -4.95 3.70 -0.13 0.86 0.15 0.49 -4.87 113.70 108.96 1jex s SER 20 Ca -0.12 -1.39 -0.01 0.00 0.70 0.00 0.00 55.95 55.13 1jex s SER 20 Cb 0.08 -0.74 0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1jex s SER 20 CO 0.54 -0.39 -0.02 -0.89 1.20 0.00 0.00 173.24 173.68 1jex s THR 21 N 1.73 0.74 0.21 6.45 2.01 -0.83 -2.65 115.64 123.30 1jex s THR 21 Ca 0.07 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1jex s THR 21 Cb -0.17 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.41 1jex s THR 21 CO -0.22 0.17 0.05 0.79 -0.69 0.00 0.00 174.62 174.72 1jex n TRP 22 N 5.01 -0.04 -3.20 4.92 8.01 -1.24 -2.97 117.44 127.93 1jex n TRP 22 Ca -0.10 -0.97 0.03 0.00 -1.31 0.00 0.00 57.50 55.16 1jex n TRP 22 Cb 0.49 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.31 29.63 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 -1.52 -1.00 -0.26 -0.99 -7.23 -0.93 -3.85 120.40 104.63 1jex s VAL 23 Ca 0.04 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1jex s VAL 23 Cb -0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1jex s VAL 23 CO 0.02 0.00 1.86 -0.51 -0.31 0.00 0.00 175.10 176.16 1jex s ILE 24 N 2.86 3.39 0.01 -0.62 -1.16 -1.25 -2.56 121.20 121.88 1jex s ILE 24 Ca 0.18 0.42 -0.05 0.00 -0.51 0.00 0.00 60.65 60.69 1jex s ILE 24 Cb -0.15 -3.48 -0.01 0.00 0.61 0.00 0.00 42.46 39.44 1jex s ILE 24 CO -0.21 -0.27 0.08 -1.48 -2.81 0.00 0.00 174.94 170.26 1jex s LEU 25 N 6.66 1.79 -1.18 8.50 0.05 -0.79 -3.54 118.68 130.16 1jex s LEU 25 Ca 0.83 -0.35 0.00 0.00 0.05 0.00 0.00 54.13 54.66 1jex s LEU 25 Cb -0.27 0.50 0.00 0.00 -2.05 0.00 0.00 46.19 44.38 1jex s LEU 25 CO 0.34 -0.38 0.00 1.41 -0.55 0.00 0.00 176.35 177.17 1jex n HIS 26 N 1.36 -1.29 -0.92 3.48 8.25 -1.26 0.21 115.22 125.05 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 0.56 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.74 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 -3.39 0.00 -3.77 4.41 -0.00 -1.26 -4.94 115.22 106.26 1jex n HIS 27 Ca -0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.33 1jex n HIS 27 Cb 0.61 -0.90 -0.17 0.00 -0.00 0.00 0.00 29.99 29.53 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 -0.82 0.64 0.33 1.57 0.00 0.55 -4.35 119.74 117.66 1jex s LYS 28 Ca 0.00 0.08 -0.26 0.00 0.00 0.00 0.00 55.97 55.79 1jex s LYS 28 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 37.83 36.70 1jex s LYS 28 CO 0.00 -0.31 0.95 0.54 0.00 0.00 0.00 175.35 176.53 1jex s VAL 29 N 1.96 4.16 -0.02 1.79 0.11 -1.23 -1.89 120.40 125.28 1jex s VAL 29 Ca 0.05 1.79 0.08 0.00 -2.93 0.00 0.00 61.98 60.97 1jex s VAL 29 Cb -0.12 -3.99 -0.02 0.00 -1.53 0.00 0.00 36.38 30.71 1jex s VAL 29 CO -0.05 0.15 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.30 1jex s TYR 30 N -1.60 2.23 -1.16 1.54 1.51 -1.06 -3.22 117.35 115.59 1jex s TYR 30 Ca 0.50 -0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1jex s TYR 30 Cb -0.19 -1.44 0.24 0.00 -0.11 0.00 0.00 41.96 40.46 1jex s TYR 30 CO 0.25 -0.05 1.24 -3.47 -1.11 0.00 0.00 175.55 172.41 1jex n ASP 31 N 2.50 5.42 -1.43 2.29 2.03 -1.19 -2.18 116.55 123.99 1jex n ASP 31 Ca -0.16 -3.02 -0.06 0.00 0.52 0.00 0.00 54.79 52.08 1jex n ASP 31 Cb 0.51 -1.45 0.13 0.00 -0.72 0.00 0.00 41.12 39.59 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 3.79 4.22 0.26 -2.67 -0.00 -1.22 -4.09 117.00 117.29 1jex n LEU 32 Ca 0.29 -2.19 0.15 0.00 -0.00 0.00 0.00 56.01 54.26 1jex n LEU 32 Cb 0.40 -0.64 0.55 0.00 -0.00 0.00 0.00 43.42 43.74 1jex n LEU 32 CO 0.53 0.63 0.92 0.00 -0.00 0.00 0.00 177.39 179.47 1jex h THR 33 N 1.06 0.13 0.00 1.47 1.03 -1.84 0.37 112.91 115.14 1jex h THR 33 Ca 0.19 -0.74 -0.15 0.00 -0.01 0.00 0.00 66.41 65.70 1jex h THR 33 Cb 1.64 1.65 -0.02 0.00 -1.07 0.00 0.00 68.15 70.35 1jex h THR 33 CO 0.42 0.05 -0.98 0.50 -0.01 0.00 0.00 175.52 175.51 1jex h LYS 34 N 0.00 0.00 -0.16 0.00 1.63 -1.90 -3.36 116.57 112.79 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 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1jex h LYS 34 CO 0.01 0.64 0.00 0.34 -3.45 0.00 0.00 179.45 176.99 1jex n PHE 35 N -4.50 0.15 -0.33 1.91 -0.00 -1.23 -3.89 117.46 109.57 1jex n PHE 35 Ca -0.23 -0.07 0.04 0.00 -0.00 0.00 0.00 57.45 57.19 1jex n PHE 35 Cb 0.53 -0.01 0.22 0.00 -0.00 0.00 0.00 39.48 40.22 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 0.61 0.95 0.00 -2.13 6.46 -0.39 0.15 115.31 120.96 1jex h LEU 36 Ca 0.00 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1jex h LEU 36 Cb 0.18 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1jex h LEU 36 CO 0.00 0.60 -0.22 -0.08 -0.62 0.00 0.00 178.44 178.12 1jex h GLU 37 N 1.07 0.00 -0.01 1.25 4.81 -1.83 -3.07 114.58 116.80 1jex h GLU 37 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1jex h GLU 37 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1jex h GLU 37 CO -0.17 0.04 -0.06 0.39 -0.73 0.00 0.00 179.01 178.48 1jex n GLU 38 N -3.04 1.06 -3.31 1.92 -0.58 0.30 -4.81 120.64 112.19 1jex n GLU 38 Ca 0.03 -0.42 -0.38 0.00 -0.42 0.00 0.00 57.16 55.97 1jex n GLU 38 Cb 0.55 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.23 3.54 -1.04 -0.32 2.46 0.08 -4.94 115.29 112.83 1jex s HIS 39 Ca 0.35 0.92 0.22 0.00 0.47 0.00 0.00 55.06 57.02 1jex s HIS 39 Cb 0.21 -2.54 0.95 0.00 -0.13 0.00 0.00 32.58 31.06 1jex s HIS 39 CO 0.41 0.20 1.70 -0.35 -2.47 0.00 0.00 174.74 174.24 1jex n PRO 40 N 3.51 0.03 0.00 2.88 -0.04 -1.26 -4.07 135.00 136.05 1jex n PRO 40 Ca -0.07 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1jex n PRO 40 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.73 -2.69 0.00 0.55 0.00 -1.26 -5.05 105.19 97.47 1jex n GLY 41 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.32 0.97 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.56 1jex n GLY 42 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 6.13 0.00 1.61 2.13 -1.26 -4.48 120.64 124.77 1jex n GLU 43 Ca 0.00 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1jex n GLU 43 Cb 0.00 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.23 1jex n GLU 43 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jex n GLU 44 N -0.88 0.90 -0.09 5.31 2.13 -1.26 -4.41 120.64 122.33 1jex n GLU 44 Ca 0.00 -0.37 -0.08 0.00 0.66 0.00 0.00 57.16 57.37 1jex n GLU 44 Cb 0.00 -0.86 -0.16 0.00 0.27 0.00 0.00 31.44 30.69 1jex n GLU 44 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1jex n VAL 45 N -0.23 1.26 0.08 6.31 3.14 -1.26 -2.68 118.33 124.94 1jex n VAL 45 Ca 0.00 -0.82 -0.14 0.00 -2.96 0.00 0.00 64.34 60.42 1jex n VAL 45 Cb 0.01 -0.43 -0.07 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 0.49 0.00 6.55 3.38 -1.81 -3.22 115.31 120.70 1jex h LEU 46 Ca -0.49 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 56.97 1jex h LEU 46 Cb 2.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1jex h LEU 46 CO 0.03 1.26 -0.96 0.08 0.09 0.00 0.00 178.44 178.94 1jex h ARG 47 N 0.18 0.00 -0.68 1.13 0.11 -1.77 -3.32 114.38 110.03 1jex h ARG 47 Ca -0.10 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.18 1jex h ARG 47 Cb 1.69 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.74 1jex h ARG 47 CO 0.17 0.17 0.49 1.49 0.10 0.00 0.00 179.97 182.39 1jex h GLU 48 N 0.00 0.01 -0.71 0.08 4.22 -1.52 1.10 114.58 117.77 1jex h GLU 48 Ca -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1jex h GLU 48 Cb 1.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jex h GLU 48 CO 0.02 0.01 0.00 1.04 -2.18 0.00 0.00 179.01 177.90 1jex n GLN 49 N -4.34 2.74 -1.16 1.92 1.13 -1.25 -4.65 117.38 111.77 1jex n GLN 49 Ca 0.13 -2.62 -0.31 0.00 -1.94 0.00 0.00 57.00 52.26 1jex n GLN 49 Cb 0.74 -1.55 -0.06 0.00 0.11 0.00 0.00 30.24 29.49 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 1.58 6.89 0.00 -1.58 0.00 0.38 -2.84 120.51 124.95 1jex n ALA 50 Ca 0.24 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.72 1jex n ALA 50 Cb 0.61 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.95 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 3.38 0.11 0.00 0.00 0.00 -1.26 -4.43 105.19 103.00 1jex n GLY 51 Ca 0.66 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.76 2.29 3.39 -0.02 0.00 -1.13 -4.81 105.19 104.16 1jex n GLY 52 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 4.64 0.15 1.61 1.47 -1.26 -3.87 116.67 120.41 1jex s ASP 53 Ca 0.00 -0.28 0.23 0.00 1.18 0.00 0.00 52.55 53.68 1jex s ASP 53 Cb 0.00 -1.80 -0.00 0.00 -0.34 0.00 0.00 42.92 40.78 1jex s ASP 53 CO 0.00 0.02 1.00 0.00 0.68 0.00 0.00 175.17 176.87 1jex n ALA 54 N 4.54 2.70 -0.19 2.11 0.00 -1.23 -4.15 120.51 124.28 1jex n ALA 54 Ca -0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 53.44 52.97 1jex n ALA 54 Cb 0.51 -1.06 0.08 0.00 0.00 0.00 0.00 19.45 18.99 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 0.49 -1.04 0.00 1.03 -1.93 2.55 112.91 114.01 1jex h THR 55 Ca 0.00 -0.03 0.30 0.00 -0.01 0.00 0.00 66.41 66.68 1jex h THR 55 Cb 0.94 0.41 -0.04 0.00 -1.07 0.00 0.00 68.15 68.39 1jex h THR 55 CO 0.00 0.01 0.80 1.05 -0.01 0.00 0.00 175.52 177.38 1jex h GLU 56 N 0.07 0.00 0.00 0.00 4.11 -1.95 1.96 114.58 118.77 1jex h GLU 56 Ca 0.30 0.00 -0.46 0.00 0.07 0.00 0.00 59.36 59.27 1jex h GLU 56 Cb 0.47 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1jex h GLU 56 CO -0.53 0.00 -2.54 0.09 0.07 0.00 0.00 179.01 176.09 1jex n ASN 57 N -4.05 1.96 -0.35 3.06 4.13 0.20 -3.27 115.26 116.95 1jex n ASN 57 Ca 0.22 0.25 0.04 0.00 1.68 0.00 0.00 54.58 56.78 1jex n ASN 57 Cb 1.15 -0.75 0.21 0.00 -1.54 0.00 0.00 39.78 38.86 1jex n ASN 57 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1jex h PHE 58 N -0.82 1.14 0.00 3.10 3.57 0.51 -0.36 116.94 124.08 1jex h PHE 58 Ca -0.69 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 60.76 1jex h PHE 58 Cb 1.67 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1jex h PHE 58 CO -0.07 0.56 -0.56 0.93 -2.23 0.00 0.00 178.31 176.94 1jex h GLU 59 N 1.09 0.00 0.57 1.11 5.08 0.29 -3.28 114.58 119.44 1jex h GLU 59 Ca 0.43 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 1jex h GLU 59 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jex h GLU 59 CO -0.18 0.35 -0.43 0.22 -1.00 0.00 0.00 179.01 177.97 1jex h ASP 60 N 0.00 -1.12 0.00 1.42 3.58 -1.06 0.41 116.42 119.65 1jex h ASP 60 Ca -0.02 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1jex h ASP 60 Cb 1.32 0.35 0.00 0.00 1.72 0.00 0.00 39.33 42.72 1jex h ASP 60 CO 0.05 -0.63 0.00 1.62 -2.88 0.00 0.00 179.24 177.40 1jex h VAL 61 N -0.97 0.00 -4.62 2.25 3.04 -1.57 -3.46 116.25 110.92 1jex h VAL 61 Ca -0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1jex h VAL 61 Cb 0.82 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 1jex h VAL 61 CO 0.02 0.00 -0.32 0.61 -1.01 0.00 0.00 177.57 176.87 1jex n GLY 62 N -1.20 -1.12 3.76 3.17 0.00 0.13 -4.97 105.19 104.97 1jex n GLY 62 Ca -0.02 0.81 -0.40 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.22 3.61 0.98 1.61 3.76 -1.24 -5.01 115.29 116.77 1jex s HIS 63 Ca 0.16 1.72 -0.11 0.00 -0.15 0.00 0.00 55.06 56.67 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 0.54 -0.48 1.09 0.45 -0.85 0.00 0.00 174.74 175.50 1jex s SER 64 N -0.91 2.55 0.17 1.40 0.15 -1.26 -4.89 113.70 110.91 1jex s SER 64 Ca 0.44 1.79 0.23 0.00 0.70 0.00 0.00 55.95 59.12 1jex s SER 64 Cb -0.31 -2.39 0.90 0.00 -1.71 0.00 0.00 66.02 62.51 1jex s SER 64 CO 0.40 -3.27 1.71 1.07 1.20 0.00 0.00 173.24 174.36 1jex n THR 65 N -4.32 0.70 1.61 6.45 5.66 -1.26 -1.85 114.28 121.28 1jex n THR 65 Ca 0.08 0.07 0.14 0.00 -3.05 0.00 0.00 64.05 61.29 1jex n THR 65 Cb 0.54 -0.91 0.61 0.00 -1.55 0.00 0.00 70.33 69.02 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 -2.02 1.10 0.26 1.09 9.92 -1.26 -3.52 116.55 122.11 1jex n ASP 66 Ca 0.04 -1.40 0.14 0.00 -0.53 0.00 0.00 54.79 53.04 1jex n ASP 66 Cb 0.28 -0.01 0.61 0.00 -0.64 0.00 0.00 41.12 41.36 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 1.69 0.27 0.00 2.53 3.04 -1.72 -2.27 116.25 119.79 1jex h VAL 67 Ca 0.00 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 1jex h VAL 67 Cb 0.36 1.59 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1jex h VAL 67 CO 0.00 0.10 -0.07 -0.09 -1.01 0.00 0.00 177.57 176.49 1jex h ARG 68 N 0.00 0.00 -0.02 4.17 9.65 -1.78 -0.95 114.38 125.46 1jex h ARG 68 Ca -0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 1jex h ARG 68 Cb 0.58 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 1jex h ARG 68 CO 0.01 0.07 -0.48 1.05 2.80 0.00 0.00 179.97 183.43 1jex h GLU 69 N 0.00 0.04 0.00 0.20 4.11 -1.68 -3.30 114.58 113.95 1jex h GLU 69 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1jex h GLU 69 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jex h GLU 69 CO 0.01 0.51 0.00 1.28 0.07 0.00 0.00 179.01 180.88 1jex n LEU 70 N -3.97 0.00 -4.63 3.06 7.99 -0.36 -4.45 117.00 114.65 1jex n LEU 70 Ca -0.02 0.87 -0.43 0.00 -0.01 0.00 0.00 56.01 56.42 1jex n LEU 70 Cb 0.50 -0.37 -0.02 0.00 -0.11 0.00 0.00 43.42 43.42 1jex n LEU 70 CO 0.41 -0.37 1.10 -0.94 -1.51 0.00 0.00 177.39 176.08 1jex s SER 71 N -2.01 6.69 0.02 -1.43 1.04 -1.23 -4.80 113.70 111.98 1jex s SER 71 Ca 0.00 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1jex s SER 71 Cb 0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.58 1jex s SER 71 CO 0.00 -1.08 0.00 1.17 0.98 0.00 0.00 173.24 174.31 1jex n LYS 72 N 7.33 0.00 0.09 4.02 4.81 -1.26 -4.83 118.16 128.32 1jex n LYS 72 Ca 0.14 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.64 1jex n LYS 72 Cb 0.47 -0.06 -0.02 0.00 0.02 0.00 0.00 35.03 35.44 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1jex h THR 73 N 0.00 0.32 -0.83 3.15 2.02 -1.96 -3.33 112.91 112.29 1jex h THR 73 Ca 0.00 -1.58 0.09 0.00 0.77 0.00 0.00 66.41 65.69 1jex h THR 73 Cb 0.00 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 1jex h THR 73 CO 0.00 0.18 0.54 1.88 0.37 0.00 0.00 175.52 178.50 1jex h TYR 74 N 0.00 0.87 -0.95 3.16 0.05 -1.89 -3.43 116.97 114.77 1jex h TYR 74 Ca -0.07 0.02 -0.62 0.00 0.05 0.00 0.00 58.73 58.11 1jex h TYR 74 Cb 1.30 -0.28 0.10 0.00 1.01 0.00 0.00 36.73 38.86 1jex h TYR 74 CO 0.00 0.41 -0.51 -0.89 -1.05 0.00 0.00 178.16 176.13 1jex n ILE 75 N -4.51 1.82 -0.14 -2.88 2.08 -1.25 -3.14 119.36 111.34 1jex n ILE 75 Ca 0.14 -0.47 -0.29 0.00 0.56 0.00 0.00 62.75 62.69 1jex n ILE 75 Cb 0.30 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.08 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 1.53 0.00 1.39 -5.35 -1.20 -4.75 119.36 110.96 1jex n ILE 76 Ca 0.17 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1jex n ILE 76 Cb 0.24 -1.86 0.00 0.00 -1.74 0.00 0.00 39.64 36.28 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 1.31 -0.82 3.45 3.28 0.00 -1.20 -4.89 105.19 106.32 1jex n GLY 77 Ca -0.53 0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 0.36 0.86 1.61 -1.05 -1.26 -3.53 118.70 115.68 1jex s GLU 78 Ca 0.00 0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 55.59 1jex s GLU 78 Cb 0.00 0.54 0.11 0.00 -0.44 0.00 0.00 34.13 34.34 1jex s GLU 78 CO 0.00 -0.13 1.18 1.47 0.95 0.00 0.00 175.26 178.73 1jex n LEU 79 N 5.10 3.99 -3.54 1.83 -0.00 -1.26 -3.92 117.00 119.19 1jex n LEU 79 Ca -0.10 0.52 -0.41 0.00 -0.00 0.00 0.00 56.01 56.02 1jex n LEU 79 Cb 0.52 -1.50 -0.04 0.00 -0.00 0.00 0.00 43.42 42.40 1jex n LEU 79 CO -0.04 -1.88 0.13 1.57 -0.00 0.00 0.00 177.39 177.17 1jex n HIS 80 N -3.71 -0.12 0.27 1.47 -0.00 -0.36 -4.68 115.22 108.09 1jex n HIS 80 Ca 0.13 0.80 0.15 0.00 -0.00 0.00 0.00 57.72 58.79 1jex n HIS 80 Cb 0.51 -1.60 0.44 0.00 -0.00 0.00 0.00 29.99 29.34 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 1.28 0.00 0.21 1.57 0.13 -1.93 -0.95 132.00 132.31 1jex h PRO 81 Ca -0.28 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.53 1jex h PRO 81 Cb 1.15 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.31 1jex h PRO 81 CO 0.48 0.00 -1.40 0.22 -0.23 0.00 0.00 178.00 177.07 1jex h ASP 82 N 0.00 0.80 1.04 1.44 3.58 -1.99 -3.15 116.42 118.14 1jex h ASP 82 Ca 0.00 -0.83 -0.14 0.00 0.42 0.00 0.00 57.03 56.49 1jex h ASP 82 Cb 0.73 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1jex h ASP 82 CO 0.00 1.64 -0.65 0.44 -2.88 0.00 0.00 179.24 177.79 1jex h ASP 83 N 0.17 0.00 -0.21 2.28 5.19 -1.88 -2.96 116.42 119.00 1jex h ASP 83 Ca -0.23 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.15 1jex h ASP 83 Cb 2.09 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.58 1jex h ASP 83 CO 0.26 0.65 0.05 -0.09 -3.12 0.00 0.00 179.24 176.99 1jex h ARG 84 N 0.00 0.43 -0.01 3.56 1.12 -1.20 0.10 114.38 118.37 1jex h ARG 84 Ca -0.01 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 1jex h ARG 84 Cb 1.35 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1jex h ARG 84 CO 0.08 0.42 -0.17 0.45 -3.11 0.00 0.00 179.97 177.64 1jex n SER 85 N -4.35 1.12 -0.01 -3.80 2.88 -1.17 -3.62 113.62 104.67 1jex n SER 85 Ca 0.01 -1.05 -0.09 0.00 -1.33 0.00 0.00 58.87 56.41 1jex n SER 85 Cb 0.18 0.08 -0.14 0.00 -0.75 0.00 0.00 64.21 63.58 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 1.50 0.01 0.00 -1.46 1.57 -0.84 -3.26 116.57 114.09 1jex h LYS 86 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1jex h LYS 86 Cb 0.49 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1jex h LYS 86 CO 0.00 0.58 0.00 -0.89 -0.57 0.00 0.00 179.45 178.57 1jex n ILE 87 N -3.10 1.32 0.73 1.86 5.41 -0.77 -5.09 119.36 119.73 1jex n ILE 87 Ca -0.15 0.40 0.06 0.00 1.00 0.00 0.00 62.75 64.06 1jex n ILE 87 Cb 1.04 -1.30 0.35 0.00 -0.71 0.00 0.00 39.64 39.02 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55