#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 4.51 -0.78 1.45 2.20 -1.26 -4.98 119.74 120.89 1jex s LYS 5 Ca 0.00 1.09 -0.18 0.00 -0.36 0.00 0.00 55.97 56.52 1jex s LYS 5 Cb 0.00 -3.32 0.14 0.00 -1.51 0.00 0.00 37.83 33.14 1jex s LYS 5 CO 0.00 0.40 0.88 0.71 -0.36 0.00 0.00 175.35 176.98 1jex s TYR 6 N -0.50 3.24 -0.19 4.03 2.02 -1.26 -4.28 117.35 120.41 1jex s TYR 6 Ca 0.37 -1.38 -0.08 0.00 -0.37 0.00 0.00 57.07 55.60 1jex s TYR 6 Cb -0.21 -4.06 -0.04 0.00 -0.40 0.00 0.00 41.96 37.24 1jex s TYR 6 CO 0.24 -1.29 0.09 1.52 -1.57 0.00 0.00 175.55 174.54 1jex s TYR 7 N 2.03 3.31 0.65 2.71 -0.85 -1.26 -4.28 117.35 119.66 1jex s TYR 7 Ca 0.21 0.17 -0.11 0.00 -0.52 0.00 0.00 57.07 56.82 1jex s TYR 7 Cb -0.13 -2.11 -0.01 0.00 0.38 0.00 0.00 41.96 40.09 1jex s TYR 7 CO -0.03 0.21 1.04 0.95 -1.52 0.00 0.00 175.55 176.20 1jex s THR 8 N 0.36 4.09 0.26 -3.49 -4.23 -1.26 -0.24 115.64 111.14 1jex s THR 8 Ca 0.05 0.62 0.09 0.00 -1.18 0.00 0.00 61.69 61.27 1jex s THR 8 Cb -0.12 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1jex s THR 8 CO -0.01 -0.86 1.20 0.18 -0.54 0.00 0.00 174.62 174.59 1jex n LEU 9 N -2.84 0.10 -0.55 4.79 4.32 -1.26 0.24 117.00 121.80 1jex n LEU 9 Ca 0.06 1.27 0.43 0.00 -0.02 0.00 0.00 56.01 57.76 1jex n LEU 9 Cb 0.56 -0.55 0.66 0.00 -1.62 0.00 0.00 43.42 42.47 1jex n LEU 9 CO 0.57 -1.36 1.26 1.21 -1.22 0.00 0.00 177.39 177.85 1jex n GLU 10 N -4.87 0.00 -0.11 3.23 2.13 -1.26 0.20 120.64 119.96 1jex n GLU 10 Ca 0.24 0.93 -0.19 0.00 0.66 0.00 0.00 57.16 58.80 1jex n GLU 10 Cb 0.80 -2.18 -0.08 0.00 0.27 0.00 0.00 31.44 30.25 1jex n GLU 10 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1jex n GLU 11 N -3.55 0.55 -0.22 5.31 2.13 0.65 -2.97 120.64 122.54 1jex n GLU 11 Ca 0.36 0.40 0.19 0.00 0.66 0.00 0.00 57.16 58.76 1jex n GLU 11 Cb 1.69 -1.60 0.52 0.00 0.27 0.00 0.00 31.44 32.33 1jex n GLU 11 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1jex h ILE 12 N -1.00 0.70 0.00 6.31 2.04 -0.10 0.71 117.51 126.18 1jex h ILE 12 Ca -0.35 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.26 1jex h ILE 12 Cb 1.22 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1jex h ILE 12 CO -0.21 0.07 -0.68 0.06 0.00 0.00 0.00 178.15 177.39 1jex h GLN 13 N 0.39 0.00 0.00 2.37 3.07 0.21 -3.10 115.11 118.04 1jex h GLN 13 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1jex h GLN 13 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.68 1jex h GLN 13 CO -0.15 0.46 0.00 1.63 0.09 0.00 0.00 178.83 180.86 1jex n LYS 14 N -3.16 0.16 -2.82 0.06 4.76 0.23 -3.36 118.16 114.03 1jex n LYS 14 Ca -0.00 0.25 -0.27 0.00 -2.87 0.00 0.00 58.31 55.42 1jex n LYS 14 Cb 0.75 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.01 3.88 -3.06 2.13 8.25 -0.16 -4.89 115.22 119.35 1jex n HIS 15 Ca 0.04 -3.75 -0.35 0.00 -0.26 0.00 0.00 57.72 53.41 1jex n HIS 15 Cb 0.31 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -0.30 3.83 -3.49 -0.41 4.81 -1.20 -3.48 118.16 117.93 1jex n LYS 16 Ca 0.33 -4.67 -0.16 0.00 -0.87 0.00 0.00 58.31 52.95 1jex n LYS 16 Cb 0.45 -2.38 -0.05 0.00 0.02 0.00 0.00 35.03 33.07 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 -2.23 -0.63 0.22 3.14 1.01 -1.03 -5.02 116.67 112.14 1jex s ASP 17 Ca 0.38 0.47 -0.19 0.00 0.71 0.00 0.00 52.55 53.92 1jex s ASP 17 Cb 0.15 0.56 0.21 0.00 1.01 0.00 0.00 42.92 44.84 1jex s ASP 17 CO -0.01 -0.73 1.56 -1.28 0.21 0.00 0.00 175.17 174.91 1jex h SER 18 N 2.65 -1.45 -0.83 0.27 0.87 -1.93 0.15 113.55 113.29 1jex h SER 18 Ca -0.29 0.30 0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1jex h SER 18 Cb 1.20 0.75 -0.10 0.00 -0.44 0.00 0.00 62.40 63.81 1jex h SER 18 CO 0.39 -0.29 -0.49 1.17 -0.53 0.00 0.00 176.83 177.08 1jex n LYS 19 N -5.46 -0.36 -3.72 2.24 3.00 -1.26 -4.05 118.16 108.55 1jex n LYS 19 Ca 0.09 1.40 -0.28 0.00 -0.00 0.00 0.00 58.31 59.52 1jex n LYS 19 Cb 0.39 -2.07 -0.16 0.00 0.00 0.00 0.00 35.03 33.19 1jex n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1jex s SER 20 N -5.09 3.11 -0.02 3.14 0.15 0.50 -4.90 113.70 110.58 1jex s SER 20 Ca -0.10 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.58 1jex s SER 20 Cb 0.09 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 1jex s SER 20 CO 0.51 -0.33 0.03 -0.89 1.20 0.00 0.00 173.24 173.75 1jex s THR 21 N 1.85 -0.04 0.15 6.45 2.01 -0.93 -2.46 115.64 122.67 1jex s THR 21 Ca 0.01 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1jex s THR 21 Cb -0.17 -0.10 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 1jex s THR 21 CO -0.13 0.10 0.05 0.79 -0.69 0.00 0.00 174.62 174.73 1jex n TRP 22 N 4.20 0.10 -3.52 4.92 8.01 -1.25 -3.06 117.44 126.85 1jex n TRP 22 Ca -0.27 -0.93 0.00 0.00 -1.31 0.00 0.00 57.50 54.98 1jex n TRP 22 Cb 0.50 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.75 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 -2.03 -0.99 -0.35 -0.99 -7.23 -1.04 -3.81 120.40 103.97 1jex s VAL 23 Ca 0.06 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 1jex s VAL 23 Cb 0.00 -0.99 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1jex s VAL 23 CO 0.05 0.00 1.40 -0.51 -0.31 0.00 0.00 175.10 175.72 1jex s ILE 24 N 2.88 3.96 -0.14 -0.62 -1.16 -1.25 -2.27 121.20 122.60 1jex s ILE 24 Ca 0.01 1.04 0.00 0.00 -0.51 0.00 0.00 60.65 61.19 1jex s ILE 24 Cb -0.13 -4.12 0.03 0.00 0.61 0.00 0.00 42.46 38.85 1jex s ILE 24 CO -0.19 -0.59 -0.11 -1.48 -2.81 0.00 0.00 174.94 169.76 1jex s LEU 25 N 5.03 1.52 -1.23 8.50 0.05 0.92 -3.04 118.68 130.44 1jex s LEU 25 Ca 0.61 -0.45 -0.06 0.00 0.05 0.00 0.00 54.13 54.27 1jex s LEU 25 Cb -0.16 -1.04 0.01 0.00 -2.05 0.00 0.00 46.19 42.95 1jex s LEU 25 CO 0.29 -0.09 0.82 1.41 -0.55 0.00 0.00 176.35 178.22 1jex n HIS 26 N 4.84 -2.16 -1.57 3.48 -0.00 -1.26 -1.04 115.22 117.51 1jex n HIS 26 Ca -0.15 0.70 -0.13 0.00 -0.00 0.00 0.00 57.72 58.14 1jex n HIS 26 Cb 0.50 -4.28 -0.05 0.00 -0.00 0.00 0.00 29.99 26.16 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 -4.53 -0.14 -3.70 4.41 8.25 -1.26 -4.97 115.22 113.29 1jex n HIS 27 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.15 1jex n HIS 27 Cb 0.57 -2.50 -0.16 0.00 1.12 0.00 0.00 29.99 29.02 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1jex s LYS 28 N -3.45 0.52 0.18 -0.41 -0.14 -0.21 -4.44 119.74 111.80 1jex s LYS 28 Ca 0.00 -0.43 -0.24 0.00 -1.36 0.00 0.00 55.97 53.94 1jex s LYS 28 Cb 0.00 -1.99 -0.08 0.00 -1.68 0.00 0.00 37.83 34.08 1jex s LYS 28 CO 0.00 -0.71 0.76 0.54 -0.76 0.00 0.00 175.35 175.19 1jex s VAL 29 N 1.90 4.43 -0.07 3.17 0.11 -1.24 -0.06 120.40 128.65 1jex s VAL 29 Ca 0.01 1.58 0.04 0.00 -2.93 0.00 0.00 61.98 60.68 1jex s VAL 29 Cb -0.17 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.63 1jex s VAL 29 CO -0.12 0.43 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.59 1jex s TYR 30 N -1.27 1.90 -1.15 1.54 1.51 -0.96 -3.31 117.35 115.61 1jex s TYR 30 Ca 0.38 -0.66 -0.14 0.00 -1.01 0.00 0.00 57.07 55.63 1jex s TYR 30 Cb -0.21 -1.30 0.17 0.00 -0.11 0.00 0.00 41.96 40.51 1jex s TYR 30 CO 0.24 -0.27 1.36 0.34 -1.11 0.00 0.00 175.55 176.11 1jex s ASP 31 N 0.30 7.00 -0.17 2.29 -1.08 -1.11 -2.49 116.67 121.42 1jex s ASP 31 Ca -0.11 -2.85 0.05 0.00 -0.52 0.00 0.00 52.55 49.12 1jex s ASP 31 Cb -0.15 -2.39 0.40 0.00 -1.46 0.00 0.00 42.92 39.32 1jex s ASP 31 CO 0.05 -0.78 1.29 0.00 0.52 0.00 0.00 175.17 176.25 1jex n LEU 32 N 5.65 4.10 0.25 -1.34 -0.00 -1.22 -4.12 117.00 120.33 1jex n LEU 32 Ca 0.34 -2.12 0.16 0.00 -0.00 0.00 0.00 56.01 54.39 1jex n LEU 32 Cb 0.44 -0.63 0.67 0.00 -0.00 0.00 0.00 43.42 43.89 1jex n LEU 32 CO 0.59 0.59 0.97 0.00 -0.00 0.00 0.00 177.39 179.54 1jex h THR 33 N 1.44 0.00 0.00 1.47 1.03 -1.84 0.43 112.91 115.44 1jex h THR 33 Ca 0.14 -0.42 -0.13 0.00 -0.01 0.00 0.00 66.41 65.99 1jex h THR 33 Cb 1.57 1.36 -0.02 0.00 -1.07 0.00 0.00 68.15 69.99 1jex h THR 33 CO 0.39 0.00 -0.94 1.17 -0.01 0.00 0.00 175.52 176.14 1jex n LYS 34 N -2.90 0.51 -0.03 0.00 3.00 -1.26 -4.10 118.16 113.39 1jex n LYS 34 Ca 0.01 0.55 0.01 0.00 -0.00 0.00 0.00 58.31 58.88 1jex n LYS 34 Cb 0.28 -1.72 0.02 0.00 0.00 0.00 0.00 35.03 33.61 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 -4.51 0.07 -0.31 5.64 -1.74 -1.20 -3.86 117.46 111.55 1jex n PHE 35 Ca -0.21 -0.03 0.02 0.00 -0.56 0.00 0.00 57.45 56.66 1jex n PHE 35 Cb 0.49 -0.00 0.16 0.00 1.52 0.00 0.00 39.48 41.65 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 0.30 0.80 -0.32 5.98 6.46 -0.28 0.25 115.31 128.49 1jex h LEU 36 Ca 0.00 0.03 -0.15 0.00 -0.12 0.00 0.00 57.88 57.64 1jex h LEU 36 Cb 0.07 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1jex h LEU 36 CO 0.00 0.49 -0.70 -0.08 -0.62 0.00 0.00 178.44 177.53 1jex h GLU 37 N 0.92 0.00 -0.00 1.25 4.81 -1.84 -2.88 114.58 116.84 1jex h GLU 37 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1jex h GLU 37 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jex h GLU 37 CO -0.20 0.70 -0.01 0.39 -0.73 0.00 0.00 179.01 179.17 1jex n GLU 38 N -3.45 1.00 -3.22 1.92 -0.58 -0.08 -4.78 120.64 111.44 1jex n GLU 38 Ca 0.00 -0.13 -0.39 0.00 -0.42 0.00 0.00 57.16 56.22 1jex n GLU 38 Cb 0.75 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 30.07 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 -2.09 3.60 -0.30 -0.32 2.46 0.67 -4.95 115.29 114.36 1jex s HIS 39 Ca 0.43 1.08 0.27 0.00 0.47 0.00 0.00 55.06 57.32 1jex s HIS 39 Cb 0.22 -2.62 0.88 0.00 -0.13 0.00 0.00 32.58 30.93 1jex s HIS 39 CO 0.38 0.23 1.79 -1.00 -2.47 0.00 0.00 174.74 173.67 1jex h PRO 40 N 6.26 0.00 0.00 2.88 0.13 -1.87 -3.36 132.00 136.04 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1jex h PRO 40 CO 0.73 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 1jex n GLY 41 N 0.58 -2.89 0.00 1.56 0.00 -1.26 -5.04 105.19 98.14 1jex n GLY 41 Ca 0.03 0.10 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 -0.47 1.25 0.00 -0.02 0.00 -1.26 -4.98 105.19 99.70 1jex n GLY 42 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 4.40 -0.03 1.61 2.13 -1.26 -4.59 120.64 122.90 1jex n GLU 43 Ca 0.00 -0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 1jex n GLU 43 Cb 0.00 -0.71 -0.06 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 -1.20 2.12 -0.13 5.31 0.00 -1.26 -4.35 120.64 121.14 1jex n GLU 44 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 57.16 57.05 1jex n GLU 44 Cb 0.02 -1.18 -0.01 0.00 0.00 0.00 0.00 31.44 30.27 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 1.20 0.94 3.84 3.04 -1.94 1.61 116.25 124.94 1jex h VAL 45 Ca -0.14 -0.63 -0.05 0.00 -1.01 0.00 0.00 66.70 64.88 1jex h VAL 45 Cb 1.13 0.90 0.01 0.00 -2.01 0.00 0.00 31.29 31.32 1jex h VAL 45 CO 0.01 0.22 -0.45 -0.07 -1.01 0.00 0.00 177.57 176.27 1jex h LEU 46 N 0.47 -1.07 -1.96 3.16 3.38 -1.81 -2.42 115.31 115.06 1jex h LEU 46 Ca 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1jex h LEU 46 Cb 0.21 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1jex h LEU 46 CO -0.01 -0.76 -0.11 0.08 0.09 0.00 0.00 178.44 177.73 1jex h ARG 47 N -1.27 0.00 -1.39 1.13 0.11 -1.74 -2.43 114.38 108.79 1jex h ARG 47 Ca -0.13 0.00 0.40 0.00 0.10 0.00 0.00 59.98 60.35 1jex h ARG 47 Cb 0.97 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.99 1jex h ARG 47 CO 0.21 0.11 1.00 1.49 0.10 0.00 0.00 179.97 182.88 1jex h GLU 48 N 0.00 0.00 -0.26 0.08 4.57 0.29 1.53 114.58 120.79 1jex h GLU 48 Ca -0.00 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1jex h GLU 48 Cb 0.29 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.78 1jex h GLU 48 CO 0.01 0.00 -0.31 1.04 -1.18 0.00 0.00 179.01 178.58 1jex n GLN 49 N -4.12 1.92 -1.57 1.92 1.13 -0.92 -4.79 117.38 110.96 1jex n GLN 49 Ca 0.30 -3.34 -0.29 0.00 -1.94 0.00 0.00 57.00 51.72 1jex n GLN 49 Cb 1.44 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 29.95 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 -1.08 6.60 0.00 -1.58 0.00 0.52 -3.60 120.51 121.37 1jex n ALA 50 Ca 0.29 -3.22 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1jex n ALA 50 Cb 0.88 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.40 0.07 0.00 0.00 0.00 -1.26 -4.44 105.19 100.96 1jex n GLY 51 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.59 2.49 3.38 -0.02 0.00 -1.24 -4.75 105.19 104.47 1jex n GLY 52 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 0.50 4.63 0.03 1.61 -4.77 -1.26 -3.88 116.67 113.54 1jex s ASP 53 Ca 0.00 -0.30 0.22 0.00 -3.30 0.00 0.00 52.55 49.18 1jex s ASP 53 Cb 0.00 -1.80 -0.13 0.00 -1.09 0.00 0.00 42.92 39.90 1jex s ASP 53 CO 0.00 0.00 0.83 0.00 0.70 0.00 0.00 175.17 176.70 1jex n ALA 54 N 4.66 3.30 -0.25 2.11 0.00 -1.17 -4.16 120.51 125.00 1jex n ALA 54 Ca -0.17 -0.45 0.32 0.00 0.00 0.00 0.00 53.44 53.14 1jex n ALA 54 Cb 0.51 -0.89 0.74 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.92 2.65 112.91 114.96 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 0.82 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 68.37 1jex h THR 55 CO 0.00 0.00 -0.22 1.05 -0.01 0.00 0.00 175.52 176.34 1jex h GLU 56 N 0.00 0.48 0.05 0.00 4.11 -1.93 0.29 114.58 117.58 1jex h GLU 56 Ca 0.50 -0.26 -0.25 0.00 0.07 0.00 0.00 59.36 59.42 1jex h GLU 56 Cb 2.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.24 1jex h GLU 56 CO -0.01 0.84 -1.17 -0.91 0.07 0.00 0.00 179.01 177.83 1jex h ASN 57 N 0.13 0.18 -0.38 3.06 4.21 -0.44 -2.34 115.58 120.00 1jex h ASN 57 Ca 0.03 -0.20 -0.16 0.00 1.21 0.00 0.00 56.30 57.17 1jex h ASN 57 Cb 0.77 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 1jex h ASN 57 CO 0.05 1.16 -0.40 0.15 -1.29 0.00 0.00 177.43 177.11 1jex h PHE 58 N 0.03 1.14 0.00 1.19 3.04 0.44 -2.87 116.94 119.91 1jex h PHE 58 Ca -0.09 -0.34 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1jex h PHE 58 Cb 1.88 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 40.15 1jex h PHE 58 CO 0.03 1.18 0.00 1.05 -2.02 0.00 0.00 178.31 178.55 1jex h GLU 59 N 0.77 0.00 0.36 1.11 -0.00 -0.48 -3.15 114.58 113.19 1jex h GLU 59 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.40 1jex h GLU 59 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.75 1jex h GLU 59 CO 0.10 0.00 -0.18 0.22 -0.00 0.00 0.00 179.01 179.15 1jex h ASP 60 N 0.00 -0.41 0.62 3.06 3.58 -1.19 -1.38 116.42 120.70 1jex h ASP 60 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1jex h ASP 60 Cb 0.90 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1jex h ASP 60 CO 0.00 -0.25 0.00 1.62 -2.88 0.00 0.00 179.24 177.73 1jex h VAL 61 N -0.54 0.00 -4.64 2.25 3.04 -1.59 -3.47 116.25 111.29 1jex h VAL 61 Ca -0.05 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1jex h VAL 61 Cb 0.41 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1jex h VAL 61 CO 0.08 0.00 -0.39 0.61 -1.01 0.00 0.00 177.57 176.86 1jex n GLY 62 N -0.28 -1.39 3.76 3.17 0.00 -0.52 -4.96 105.19 104.96 1jex n GLY 62 Ca 0.01 0.84 -0.40 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.08 3.59 1.09 1.61 3.76 -1.24 -5.02 115.29 117.01 1jex s HIS 63 Ca 0.17 1.71 -0.12 0.00 -0.15 0.00 0.00 55.06 56.66 1jex s HIS 63 Cb -0.05 -3.28 0.24 0.00 1.11 0.00 0.00 32.58 30.61 1jex s HIS 63 CO 0.56 -0.52 1.06 -1.12 -0.85 0.00 0.00 174.74 173.86 1jex s SER 64 N -0.88 1.67 0.06 1.40 0.01 -1.26 -4.89 113.70 109.81 1jex s SER 64 Ca 0.44 1.43 0.22 0.00 1.31 0.00 0.00 55.95 59.35 1jex s SER 64 Cb -0.32 -2.16 0.91 0.00 0.21 0.00 0.00 66.02 64.67 1jex s SER 64 CO 0.41 -3.76 1.70 1.07 0.41 0.00 0.00 173.24 173.07 1jex n THR 65 N -4.61 0.58 1.52 1.44 5.66 -1.26 -1.97 114.28 115.63 1jex n THR 65 Ca 0.04 0.09 0.14 0.00 -3.05 0.00 0.00 64.05 61.28 1jex n THR 65 Cb 0.55 -0.80 0.61 0.00 -1.55 0.00 0.00 70.33 69.15 1jex n THR 65 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1jex n ASP 66 N -1.70 0.79 0.08 1.09 5.75 -1.26 -3.50 116.55 117.80 1jex n ASP 66 Ca 0.05 -0.99 -0.21 0.00 -0.01 0.00 0.00 54.79 53.63 1jex n ASP 66 Cb 0.27 -0.01 -0.15 0.00 -1.03 0.00 0.00 41.12 40.20 1jex n ASP 66 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1jex h VAL 67 N 1.12 1.08 0.00 2.12 2.07 -1.74 -1.47 116.25 119.42 1jex h VAL 67 Ca 0.00 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 64.84 1jex h VAL 67 Cb 0.36 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1jex h VAL 67 CO 0.00 0.84 -0.11 -0.09 0.02 0.00 0.00 177.57 178.22 1jex h ARG 68 N 0.10 0.00 0.05 1.57 2.43 -1.70 -2.41 114.38 114.43 1jex h ARG 68 Ca -0.29 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.55 1jex h ARG 68 Cb 2.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.59 1jex h ARG 68 CO 0.19 0.11 -1.92 -0.85 -1.51 0.00 0.00 179.97 176.00 1jex n GLU 69 N -3.95 0.69 -0.07 0.20 0.28 -1.24 -4.29 120.64 112.26 1jex n GLU 69 Ca -0.02 0.25 -0.11 0.00 -0.16 0.00 0.00 57.16 57.12 1jex n GLU 69 Cb 0.20 -1.73 -0.05 0.00 1.43 0.00 0.00 31.44 31.29 1jex n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1jex h LEU 70 N 0.03 -1.37 -6.51 -1.84 -0.00 -0.76 -2.76 115.31 102.10 1jex h LEU 70 Ca -0.38 0.20 -0.71 0.00 -0.00 0.00 0.00 57.88 56.99 1jex h LEU 70 Cb 2.03 0.58 -0.07 0.00 -0.00 0.00 0.00 40.66 43.21 1jex h LEU 70 CO 0.07 -0.39 2.73 -1.54 -0.00 0.00 0.00 178.44 179.31 1jex n SER 71 N -5.42 4.31 -0.10 -0.43 3.41 -1.08 -4.55 113.62 109.75 1jex n SER 71 Ca -0.02 -2.90 -0.19 0.00 -0.26 0.00 0.00 58.87 55.50 1jex n SER 71 Cb 0.35 -1.65 -0.09 0.00 -0.26 0.00 0.00 64.21 62.56 1jex n SER 71 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jex n LYS 72 N 6.25 0.55 0.12 4.33 5.02 -1.04 -3.78 118.16 129.61 1jex n LYS 72 Ca 0.49 0.54 -0.21 0.00 -2.02 0.00 0.00 58.31 57.11 1jex n LYS 72 Cb 0.40 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.55 1jex n LYS 72 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1jex h THR 73 N -1.00 1.34 -0.68 -0.18 2.02 -1.88 -3.27 112.91 109.26 1jex h THR 73 Ca -0.31 -2.84 0.10 0.00 0.77 0.00 0.00 66.41 64.12 1jex h THR 73 Cb 1.19 2.97 -0.04 0.00 -1.74 0.00 0.00 68.15 70.53 1jex h THR 73 CO -0.19 0.85 0.45 1.88 0.37 0.00 0.00 175.52 178.88 1jex h TYR 74 N 0.11 0.57 -1.44 3.16 0.05 -1.85 -3.43 116.97 114.14 1jex h TYR 74 Ca -0.21 0.02 -0.65 0.00 0.05 0.00 0.00 58.73 57.93 1jex h TYR 74 Cb 2.08 -0.18 0.11 0.00 1.01 0.00 0.00 36.73 39.75 1jex h TYR 74 CO 0.10 0.27 -0.40 -0.89 -1.05 0.00 0.00 178.16 176.19 1jex n ILE 75 N -4.48 1.91 -0.10 -2.88 2.08 -1.24 -2.73 119.36 111.92 1jex n ILE 75 Ca 0.11 -0.50 -0.19 0.00 0.56 0.00 0.00 62.75 62.73 1jex n ILE 75 Cb 0.36 -0.26 -0.08 0.00 -0.75 0.00 0.00 39.64 38.91 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 -0.05 1.16 0.00 1.39 -5.35 -1.21 -4.77 119.36 110.54 1jex n ILE 76 Ca 0.15 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1jex n ILE 76 Cb 0.28 -1.55 0.00 0.00 -1.74 0.00 0.00 39.64 36.63 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 2.03 -0.61 3.42 3.28 0.00 -1.23 -4.78 105.19 107.29 1jex n GLY 77 Ca -0.39 0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.92 1.61 -1.05 -1.26 -3.59 118.70 115.64 1jex s GLU 78 Ca 0.00 0.79 -0.13 0.00 -0.15 0.00 0.00 54.97 55.49 1jex s GLU 78 Cb 0.00 0.48 0.04 0.00 -0.44 0.00 0.00 34.13 34.21 1jex s GLU 78 CO 0.00 -0.12 0.51 1.47 0.95 0.00 0.00 175.26 178.07 1jex n LEU 79 N 5.04 0.37 -3.34 1.83 -0.00 -1.26 -4.07 117.00 115.56 1jex n LEU 79 Ca -0.09 0.38 -0.36 0.00 -0.00 0.00 0.00 56.01 55.94 1jex n LEU 79 Cb 0.52 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.42 42.68 1jex n LEU 79 CO -0.05 -3.38 -0.07 1.57 -0.00 0.00 0.00 177.39 175.46 1jex n HIS 80 N -3.51 -0.61 0.15 1.47 -0.00 0.67 -4.66 115.22 108.74 1jex n HIS 80 Ca 0.08 0.69 0.02 0.00 -0.00 0.00 0.00 57.72 58.51 1jex n HIS 80 Cb 0.53 -1.47 0.17 0.00 -0.00 0.00 0.00 29.99 29.22 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 0.67 0.00 -0.05 1.57 0.13 -1.92 -1.83 132.00 130.56 1jex h PRO 81 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1jex h PRO 81 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1jex h PRO 81 CO 0.42 0.53 -0.11 0.22 -0.23 0.00 0.00 178.00 178.83 1jex h ASP 82 N 0.00 0.18 0.28 1.44 3.58 -2.00 -2.89 116.42 117.01 1jex h ASP 82 Ca -0.01 -0.58 -0.06 0.00 0.42 0.00 0.00 57.03 56.81 1jex h ASP 82 Cb 1.16 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1jex h ASP 82 CO 0.07 0.73 -0.28 0.44 -2.88 0.00 0.00 179.24 177.32 1jex h ASP 83 N -0.36 0.00 -0.79 2.28 5.19 -1.91 -2.20 116.42 118.63 1jex h ASP 83 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1jex h ASP 83 Cb 0.70 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 1jex h ASP 83 CO 0.02 0.28 0.50 -0.09 -3.12 0.00 0.00 179.24 176.83 1jex h ARG 84 N 0.00 1.07 0.00 3.56 1.12 -1.23 0.15 114.38 119.06 1jex h ARG 84 Ca -0.00 -0.08 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jex h ARG 84 Cb 0.49 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1jex h ARG 84 CO 0.04 0.74 0.00 0.45 -3.11 0.00 0.00 179.97 178.08 1jex n SER 85 N -4.39 0.41 0.05 -3.80 2.88 -0.83 -1.96 113.62 105.98 1jex n SER 85 Ca 0.09 0.58 0.08 0.00 -1.33 0.00 0.00 58.87 58.29 1jex n SER 85 Cb 0.05 -0.68 -0.07 0.00 -0.75 0.00 0.00 64.21 62.77 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 0.63 0.00 -1.46 5.02 0.37 -3.77 118.16 117.02 1jex n LYS 86 Ca 0.04 0.04 0.05 0.00 -2.02 0.00 0.00 58.31 56.42 1jex n LYS 86 Cb 0.26 -1.72 0.26 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.59 0.93 0.77 -0.18 2.08 -0.31 -5.10 119.36 114.95 1jex n ILE 87 Ca -0.04 0.23 0.06 0.00 0.56 0.00 0.00 62.75 63.56 1jex n ILE 87 Cb 0.63 -1.05 0.37 0.00 -0.75 0.00 0.00 39.64 38.85 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11