#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 4.26 -0.88 5.55 2.47 -1.26 -4.98 119.74 124.89 1jex s LYS 5 Ca 0.00 0.78 -0.18 0.00 -1.56 0.00 0.00 55.97 55.01 1jex s LYS 5 Cb 0.00 -3.26 0.15 0.00 -1.46 0.00 0.00 37.83 33.26 1jex s LYS 5 CO 0.00 0.58 1.03 0.71 0.16 0.00 0.00 175.35 177.83 1jex s TYR 6 N -0.94 3.23 -0.18 4.03 2.02 -1.26 -4.34 117.35 119.91 1jex s TYR 6 Ca 0.30 -1.46 -0.12 0.00 -0.37 0.00 0.00 57.07 55.42 1jex s TYR 6 Cb -0.20 -4.17 -0.05 0.00 -0.40 0.00 0.00 41.96 37.14 1jex s TYR 6 CO 0.19 -1.38 0.21 1.52 -1.57 0.00 0.00 175.55 174.53 1jex s TYR 7 N 2.21 3.43 0.57 2.71 -0.85 -1.26 -4.23 117.35 119.93 1jex s TYR 7 Ca 0.28 0.46 -0.12 0.00 -0.52 0.00 0.00 57.07 57.18 1jex s TYR 7 Cb -0.07 -2.26 -0.05 0.00 0.38 0.00 0.00 41.96 39.96 1jex s TYR 7 CO -0.08 0.26 0.98 0.95 -1.52 0.00 0.00 175.55 176.14 1jex s THR 8 N 0.43 4.70 0.28 -3.49 -4.23 -1.26 -0.08 115.64 111.98 1jex s THR 8 Ca 0.12 0.87 0.15 0.00 -1.18 0.00 0.00 61.69 61.65 1jex s THR 8 Cb -0.12 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 70.17 1jex s THR 8 CO 0.01 -0.97 1.22 0.18 -0.54 0.00 0.00 174.62 174.53 1jex n LEU 9 N -2.33 0.24 -0.45 4.79 4.32 -1.26 0.15 117.00 122.46 1jex n LEU 9 Ca 0.05 1.29 0.35 0.00 -0.02 0.00 0.00 56.01 57.69 1jex n LEU 9 Cb 0.54 -0.61 0.56 0.00 -1.62 0.00 0.00 43.42 42.29 1jex n LEU 9 CO 0.54 -1.43 1.02 1.21 -1.22 0.00 0.00 177.39 177.50 1jex n GLU 10 N -4.78 -0.01 -0.12 3.23 4.07 -1.26 0.20 120.64 121.97 1jex n GLU 10 Ca 0.28 0.86 -0.23 0.00 -0.06 0.00 0.00 57.16 58.01 1jex n GLU 10 Cb 0.96 -1.84 -0.09 0.00 -0.06 0.00 0.00 31.44 30.41 1jex n GLU 10 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1jex n GLU 11 N -3.74 0.57 -0.33 5.31 -0.58 0.41 -3.30 120.64 118.97 1jex n GLU 11 Ca 0.32 0.36 0.16 0.00 -0.42 0.00 0.00 57.16 57.57 1jex n GLU 11 Cb 1.35 -1.56 0.39 0.00 -0.57 0.00 0.00 31.44 31.05 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 0.65 0.00 -3.67 2.04 0.01 0.94 117.51 116.48 1jex h ILE 12 Ca -0.48 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.07 1jex h ILE 12 Cb 1.38 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1jex h ILE 12 CO -0.29 0.12 -0.46 0.06 0.00 0.00 0.00 178.15 177.58 1jex h GLN 13 N 0.63 0.00 0.00 2.37 3.07 0.21 -2.83 115.11 118.57 1jex h GLN 13 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.31 1jex h GLN 13 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1jex h GLN 13 CO -0.35 0.46 0.00 1.17 0.09 0.00 0.00 178.83 180.20 1jex n LYS 14 N -3.32 0.15 -2.66 0.06 4.81 0.31 -3.28 118.16 114.23 1jex n LYS 14 Ca 0.01 0.25 -0.29 0.00 -0.87 0.00 0.00 58.31 57.41 1jex n LYS 14 Cb 0.65 -1.72 -0.01 0.00 0.02 0.00 0.00 35.03 33.97 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 -2.00 3.63 -2.96 5.64 8.25 -0.12 -4.87 115.22 122.79 1jex n HIS 15 Ca 0.04 -3.41 -0.35 0.00 -0.26 0.00 0.00 57.72 53.74 1jex n HIS 15 Cb 0.31 -0.43 -0.02 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 -0.35 4.09 -3.56 -0.41 4.81 -1.17 -3.33 118.16 118.24 1jex n LYS 16 Ca 0.37 -4.70 -0.15 0.00 -0.87 0.00 0.00 58.31 52.97 1jex n LYS 16 Cb 0.48 -2.38 -0.06 0.00 0.02 0.00 0.00 35.03 33.09 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 -2.22 -0.50 0.17 3.14 1.11 -0.31 -5.00 116.67 113.05 1jex s ASP 17 Ca 0.40 0.35 -0.28 0.00 0.18 0.00 0.00 52.55 53.20 1jex s ASP 17 Cb 0.17 0.50 -0.01 0.00 1.07 0.00 0.00 42.92 44.65 1jex s ASP 17 CO -0.05 -0.67 1.51 -0.24 1.18 0.00 0.00 175.17 176.90 1jex n SER 18 N 0.61 -0.96 -0.38 0.27 2.88 -1.26 0.49 113.62 115.26 1jex n SER 18 Ca -0.19 1.74 -0.01 0.00 -1.33 0.00 0.00 58.87 59.08 1jex n SER 18 Cb 0.59 -0.26 0.04 0.00 -0.75 0.00 0.00 64.21 63.83 1jex n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1jex n LYS 19 N -5.26 -0.24 -3.69 -1.46 3.00 -1.26 -3.95 118.16 105.30 1jex n LYS 19 Ca 0.03 1.52 -0.27 0.00 -0.00 0.00 0.00 58.31 59.60 1jex n LYS 19 Cb 0.28 -2.26 -0.17 0.00 0.00 0.00 0.00 35.03 32.88 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 -5.36 2.75 -0.05 3.14 0.15 0.18 -4.88 113.70 109.63 1jex s SER 20 Ca -0.14 -0.77 -0.02 0.00 0.70 0.00 0.00 55.95 55.73 1jex s SER 20 Cb 0.20 -0.48 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 1jex s SER 20 CO 0.70 -0.32 0.08 -0.89 1.20 0.00 0.00 173.24 174.01 1jex s THR 21 N 1.95 -0.13 0.20 6.45 2.01 -0.85 -1.16 115.64 124.11 1jex s THR 21 Ca 0.00 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1jex s THR 21 Cb -0.17 -0.17 -0.00 0.00 0.01 0.00 0.00 72.50 72.17 1jex s THR 21 CO -0.09 0.15 0.00 0.79 -0.69 0.00 0.00 174.62 174.79 1jex n TRP 22 N 5.02 0.44 -3.24 4.92 8.01 -1.24 -2.91 117.44 128.45 1jex n TRP 22 Ca -0.10 -0.97 0.03 0.00 -1.31 0.00 0.00 57.50 55.15 1jex n TRP 22 Cb 0.50 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.31 29.66 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 -1.73 -1.00 -0.64 -0.99 -7.23 -1.08 -3.80 120.40 103.92 1jex s VAL 23 Ca 0.00 -0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.91 1jex s VAL 23 Cb 0.00 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.93 1jex s VAL 23 CO 0.00 -0.00 1.76 -0.51 -0.31 0.00 0.00 175.10 176.04 1jex s ILE 24 N 2.87 3.42 -0.08 -0.62 -1.16 -1.25 -2.52 121.20 121.86 1jex s ILE 24 Ca 0.16 0.22 0.04 0.00 -0.51 0.00 0.00 60.65 60.56 1jex s ILE 24 Cb -0.14 -4.12 -0.01 0.00 0.61 0.00 0.00 42.46 38.80 1jex s ILE 24 CO -0.21 -1.08 -0.21 -1.48 -2.81 0.00 0.00 174.94 169.15 1jex s LEU 25 N 8.51 2.27 -1.41 8.50 0.05 0.14 -3.81 118.68 132.94 1jex s LEU 25 Ca 0.62 -0.45 -0.07 0.00 0.05 0.00 0.00 54.13 54.28 1jex s LEU 25 Cb -0.12 -1.45 0.04 0.00 -2.05 0.00 0.00 46.19 42.61 1jex s LEU 25 CO 0.19 0.22 0.52 1.57 -0.55 0.00 0.00 176.35 178.30 1jex n HIS 26 N 3.12 -1.85 -0.96 3.48 -0.00 -1.26 0.16 115.22 117.91 1jex n HIS 26 Ca -0.18 0.47 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 1jex n HIS 26 Cb 0.52 -3.68 0.00 0.00 -0.00 0.00 0.00 29.99 26.84 1jex n HIS 26 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jex n HIS 27 N -4.18 0.00 -4.01 1.57 -0.00 -1.26 -4.96 115.22 102.37 1jex n HIS 27 Ca -0.07 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.35 1jex n HIS 27 Cb 0.58 -0.89 -0.16 0.00 -0.00 0.00 0.00 29.99 29.52 1jex n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1jex s LYS 28 N -0.85 2.21 0.12 1.57 -0.14 0.43 -4.01 119.74 119.07 1jex s LYS 28 Ca 0.00 -0.73 -0.19 0.00 -1.36 0.00 0.00 55.97 53.69 1jex s LYS 28 Cb 0.00 -2.30 -0.07 0.00 -1.68 0.00 0.00 37.83 33.78 1jex s LYS 28 CO 0.00 -0.34 0.61 0.54 -0.76 0.00 0.00 175.35 175.40 1jex s VAL 29 N 1.42 4.70 -0.06 3.17 0.11 -1.17 0.25 120.40 128.82 1jex s VAL 29 Ca 0.02 1.18 0.04 0.00 -2.93 0.00 0.00 61.98 60.29 1jex s VAL 29 Cb -0.15 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1jex s VAL 29 CO -0.10 0.42 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.60 1jex s TYR 30 N -1.27 1.93 -1.20 1.54 1.51 -1.05 -3.23 117.35 115.59 1jex s TYR 30 Ca 0.34 -0.66 -0.13 0.00 -1.01 0.00 0.00 57.07 55.61 1jex s TYR 30 Cb -0.18 -1.32 0.18 0.00 -0.11 0.00 0.00 41.96 40.53 1jex s TYR 30 CO 0.20 -0.26 1.42 -3.47 -1.11 0.00 0.00 175.55 172.33 1jex n ASP 31 N 3.36 5.25 -0.72 2.29 2.03 -1.20 -2.64 116.55 124.93 1jex n ASP 31 Ca -0.19 -2.99 0.03 0.00 0.52 0.00 0.00 54.79 52.16 1jex n ASP 31 Cb 0.53 -1.55 0.13 0.00 -0.72 0.00 0.00 41.12 39.50 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 5.31 1.98 0.25 -2.67 -0.00 -1.22 -3.95 117.00 116.71 1jex n LEU 32 Ca 0.36 -1.00 0.17 0.00 -0.00 0.00 0.00 56.01 55.54 1jex n LEU 32 Cb 0.42 -0.36 0.83 0.00 -0.00 0.00 0.00 43.42 44.31 1jex n LEU 32 CO 0.61 0.36 1.00 0.00 -0.00 0.00 0.00 177.39 179.37 1jex h THR 33 N 1.43 0.00 0.00 1.47 1.03 -1.82 1.37 112.91 116.39 1jex h THR 33 Ca 0.00 -0.15 -0.12 0.00 -0.01 0.00 0.00 66.41 66.13 1jex h THR 33 Cb 0.67 0.98 -0.02 0.00 -1.07 0.00 0.00 68.15 68.71 1jex h THR 33 CO 0.08 0.00 -0.90 1.17 -0.01 0.00 0.00 175.52 175.86 1jex n LYS 34 N -2.75 0.51 -0.12 0.00 3.00 -1.25 -4.15 118.16 113.40 1jex n LYS 34 Ca -0.01 0.55 0.03 0.00 -0.00 0.00 0.00 58.31 58.88 1jex n LYS 34 Cb 0.14 -1.72 0.09 0.00 0.00 0.00 0.00 35.03 33.53 1jex n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jex n PHE 35 N -4.52 0.31 -0.36 5.64 -0.00 -1.10 -4.01 117.46 113.42 1jex n PHE 35 Ca -0.20 -0.14 0.04 0.00 -0.00 0.00 0.00 57.45 57.15 1jex n PHE 35 Cb 0.48 -0.04 0.19 0.00 -0.00 0.00 0.00 39.48 40.10 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 1.08 0.99 0.00 -2.13 6.46 0.17 0.22 115.31 122.09 1jex h LEU 36 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1jex h LEU 36 Cb 0.38 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1jex h LEU 36 CO 0.03 0.60 -0.06 -0.08 -0.62 0.00 0.00 178.44 178.30 1jex h GLU 37 N 1.10 0.00 -0.01 1.25 4.81 -1.82 -3.00 114.58 116.91 1jex h GLU 37 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.68 1jex h GLU 37 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1jex h GLU 37 CO -0.20 0.00 -0.09 0.39 -0.73 0.00 0.00 179.01 178.38 1jex n GLU 38 N -2.95 1.15 -3.30 1.92 4.71 0.52 -4.83 120.64 117.87 1jex n GLU 38 Ca 0.04 -0.56 -0.38 0.00 -0.01 0.00 0.00 57.16 56.25 1jex n GLU 38 Cb 0.52 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.40 1jex n GLU 38 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1jex s HIS 39 N -2.23 3.55 -1.02 -0.32 2.46 0.24 -4.94 115.29 113.03 1jex s HIS 39 Ca 0.34 0.95 0.22 0.00 0.47 0.00 0.00 55.06 57.04 1jex s HIS 39 Cb 0.20 -2.55 0.94 0.00 -0.13 0.00 0.00 32.58 31.04 1jex s HIS 39 CO 0.42 0.22 1.70 -0.35 -2.47 0.00 0.00 174.74 174.25 1jex n PRO 40 N 3.44 0.01 0.00 2.88 -0.04 -1.26 -4.09 135.00 135.94 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 0.74 -2.56 0.00 0.55 0.00 -1.26 -5.05 105.19 97.60 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 -0.22 1.09 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.79 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 5.85 0.00 1.61 2.13 -1.26 -4.51 120.64 124.45 1jex n GLU 43 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jex n GLU 43 Cb 0.00 -0.45 0.00 0.00 0.27 0.00 0.00 31.44 31.26 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 0.58 -0.08 5.31 2.13 -1.26 -4.40 120.64 122.04 1jex n GLU 44 Ca 0.00 -0.39 -0.05 0.00 0.66 0.00 0.00 57.16 57.39 1jex n GLU 44 Cb 0.00 -0.88 -0.16 0.00 0.27 0.00 0.00 31.44 30.67 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 -0.19 1.05 0.09 6.31 3.14 -1.26 -2.57 118.33 124.89 1jex n VAL 45 Ca 0.00 -0.77 -0.13 0.00 -2.96 0.00 0.00 64.34 60.48 1jex n VAL 45 Cb 0.01 -0.36 -0.12 0.00 -1.06 0.00 0.00 33.84 32.31 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 0.32 0.00 6.55 3.38 -1.81 -3.26 115.31 120.49 1jex h LEU 46 Ca -0.41 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.18 1jex h LEU 46 Cb 1.94 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1jex h LEU 46 CO 0.02 1.25 -1.13 -2.11 0.09 0.00 0.00 178.44 176.56 1jex n ARG 47 N -3.51 0.61 -0.08 1.13 1.85 -1.26 -3.92 116.66 111.48 1jex n ARG 47 Ca -0.06 0.14 0.25 0.00 -1.00 0.00 0.00 57.85 57.18 1jex n ARG 47 Cb 0.98 -1.82 0.72 0.00 -1.05 0.00 0.00 32.46 31.29 1jex n ARG 47 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1jex h GLU 48 N 0.00 0.00 -0.47 2.89 4.22 -1.54 1.14 114.58 120.81 1jex h GLU 48 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.40 1jex h GLU 48 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1jex h GLU 48 CO 0.01 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.88 1jex n GLN 49 N -4.21 3.48 -1.18 1.92 1.13 -1.25 -4.70 117.38 112.58 1jex n GLN 49 Ca 0.14 -2.75 -0.26 0.00 -1.94 0.00 0.00 57.00 52.19 1jex n GLN 49 Cb 0.81 -1.80 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 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 0.49 6.97 0.00 -1.58 0.00 0.39 -2.97 120.51 123.82 1jex n ALA 50 Ca 0.22 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.95 1jex n ALA 50 Cb 0.84 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.45 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 2.98 0.09 0.00 0.00 0.00 -1.26 -4.47 105.19 102.52 1jex n GLY 51 Ca 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.65 1.89 3.41 -0.02 0.00 -1.16 -4.83 105.19 103.84 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 0.88 4.66 0.10 1.61 -4.77 -1.26 -3.90 116.67 113.99 1jex s ASP 53 Ca 0.00 -0.25 0.21 0.00 -3.30 0.00 0.00 52.55 49.21 1jex s ASP 53 Cb 0.00 -1.79 -0.13 0.00 -1.09 0.00 0.00 42.92 39.91 1jex s ASP 53 CO 0.00 0.05 0.81 0.00 0.70 0.00 0.00 175.17 176.73 1jex n ALA 54 N 4.34 2.46 -0.22 2.11 0.00 -1.25 -4.19 120.51 123.76 1jex n ALA 54 Ca -0.17 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 52.88 1jex n ALA 54 Cb 0.52 -0.94 0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 0.51 -1.21 0.00 1.03 -1.93 2.75 112.91 114.06 1jex h THR 55 Ca -0.05 -0.06 0.35 0.00 -0.01 0.00 0.00 66.41 66.64 1jex h THR 55 Cb 1.15 0.32 -0.07 0.00 -1.07 0.00 0.00 68.15 68.49 1jex h THR 55 CO 0.01 0.03 0.84 1.05 -0.01 0.00 0.00 175.52 177.44 1jex h GLU 56 N 0.17 0.11 0.00 0.00 4.11 -1.96 2.43 114.58 119.44 1jex h GLU 56 Ca 0.35 -0.01 -0.43 0.00 0.07 0.00 0.00 59.36 59.34 1jex h GLU 56 Cb 0.57 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1jex h GLU 56 CO -0.51 0.07 -2.52 0.09 0.07 0.00 0.00 179.01 176.21 1jex n ASN 57 N -4.32 1.97 -0.37 3.06 4.13 0.17 -3.46 115.26 116.43 1jex n ASN 57 Ca 0.28 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1jex n ASN 57 Cb 1.21 -0.63 0.15 0.00 -1.54 0.00 0.00 39.78 38.97 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 -0.55 1.23 0.00 3.10 3.04 0.56 -0.33 116.94 123.99 1jex h PHE 58 Ca -0.65 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.33 1jex h PHE 58 Cb 1.74 -0.41 0.00 0.00 2.56 0.00 0.00 35.95 39.84 1jex h PHE 58 CO -0.04 0.71 -0.07 0.93 -2.02 0.00 0.00 178.31 177.82 1jex h GLU 59 N 1.27 0.00 0.37 1.11 4.39 0.39 -3.21 114.58 118.90 1jex h GLU 59 Ca 0.40 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 1jex h GLU 59 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1jex h GLU 59 CO -0.13 0.00 -0.18 0.22 -1.16 0.00 0.00 179.01 177.76 1jex h ASP 60 N 0.00 -0.42 0.00 1.42 3.58 -1.12 -2.54 116.42 117.35 1jex h ASP 60 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1jex h ASP 60 Cb 0.97 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1jex h ASP 60 CO 0.00 -0.05 0.01 1.62 -2.88 0.00 0.00 179.24 177.94 1jex h VAL 61 N -0.85 0.00 -4.36 2.25 3.04 -1.43 -3.46 116.25 111.44 1jex h VAL 61 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1jex h VAL 61 Cb 0.54 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1jex h VAL 61 CO 0.08 0.00 -0.26 0.61 -1.01 0.00 0.00 177.57 177.00 1jex n GLY 62 N -1.15 -1.04 3.76 3.17 0.00 -0.96 -4.98 105.19 104.00 1jex n GLY 62 Ca -0.02 0.64 -0.40 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.10 3.66 0.87 1.61 3.76 -1.23 -4.99 115.29 116.87 1jex s HIS 63 Ca 0.13 1.74 -0.13 0.00 -0.15 0.00 0.00 55.06 56.65 1jex s HIS 63 Cb -0.04 -3.22 0.04 0.00 1.11 0.00 0.00 32.58 30.48 1jex s HIS 63 CO 0.45 -0.34 0.68 0.45 -0.85 0.00 0.00 174.74 175.13 1jex n SER 64 N 1.22 -0.99 0.14 1.40 2.88 -1.26 -4.90 113.62 112.11 1jex n SER 64 Ca -0.01 0.45 0.02 0.00 -1.33 0.00 0.00 58.87 58.00 1jex n SER 64 Cb 0.45 -1.30 0.08 0.00 -0.75 0.00 0.00 64.21 62.69 1jex n SER 64 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1jex h THR 65 N -1.22 0.95 -0.15 2.46 2.02 -2.05 -2.88 112.91 112.03 1jex h THR 65 Ca -0.44 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1jex h THR 65 Cb 1.30 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 70.07 1jex h THR 65 CO 0.39 0.51 0.00 0.47 0.37 0.00 0.00 175.52 177.26 1jex n ASP 66 N -3.30 0.98 0.15 4.18 8.00 -1.26 -3.37 116.55 121.93 1jex n ASP 66 Ca 0.01 -1.84 0.02 0.00 0.71 0.00 0.00 54.79 53.70 1jex n ASP 66 Cb 0.71 -0.10 0.11 0.00 -0.02 0.00 0.00 41.12 41.82 1jex n ASP 66 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1jex h VAL 67 N 1.15 0.97 -0.00 2.53 3.04 -1.86 -3.03 116.25 119.05 1jex h VAL 67 Ca 0.00 -2.14 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 1jex h VAL 67 Cb 0.26 2.31 -0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1jex h VAL 67 CO 0.00 0.51 0.00 -0.09 -1.01 0.00 0.00 177.57 176.98 1jex h ARG 68 N 0.00 0.00 0.00 4.17 1.12 -1.76 0.21 114.38 118.12 1jex h ARG 68 Ca -0.01 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 1jex h ARG 68 Cb 1.27 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1jex h ARG 68 CO 0.07 0.00 -0.09 1.05 -3.11 0.00 0.00 179.97 177.89 1jex h GLU 69 N 0.00 0.00 0.19 0.20 4.11 -1.79 -3.25 114.58 114.03 1jex h GLU 69 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1jex h GLU 69 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jex h GLU 69 CO -0.00 0.09 -0.09 -0.07 0.07 0.00 0.00 179.01 179.01 1jex h LEU 70 N 0.00 -0.22 -8.07 3.06 -0.00 -0.74 -3.39 115.31 105.95 1jex h LEU 70 Ca -0.00 0.01 -0.47 0.00 -0.00 0.00 0.00 57.88 57.42 1jex h LEU 70 Cb 0.65 0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 41.30 1jex h LEU 70 CO 0.01 0.12 1.31 -0.94 -0.00 0.00 0.00 178.44 178.95 1jex s SER 71 N -4.53 5.86 0.00 -0.43 1.04 -1.19 -4.32 113.70 110.13 1jex s SER 71 Ca -0.04 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.95 1jex s SER 71 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1jex s SER 71 CO 0.11 -2.13 0.00 0.29 0.98 0.00 0.00 173.24 172.49 1jex n LYS 72 N 8.67 0.00 0.09 4.02 4.76 -1.26 -4.52 118.16 129.92 1jex n LYS 72 Ca 0.41 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.96 1jex n LYS 72 Cb 0.48 -0.64 -0.01 0.00 -1.84 0.00 0.00 35.03 33.02 1jex n LYS 72 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1jex n THR 73 N -2.34 0.57 0.05 -0.18 -1.04 -1.26 -4.06 114.28 106.01 1jex n THR 73 Ca 0.00 -0.54 -0.18 0.00 -2.04 0.00 0.00 64.05 61.30 1jex n THR 73 Cb 0.31 -0.30 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1jex n THR 73 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1jex h TYR 74 N 0.00 0.47 -1.08 -1.42 0.05 -1.85 -3.47 116.97 109.67 1jex h TYR 74 Ca 0.00 -0.34 -0.63 0.00 0.05 0.00 0.00 58.73 57.80 1jex h TYR 74 Cb 0.99 -0.02 0.11 0.00 1.01 0.00 0.00 36.73 38.83 1jex h TYR 74 CO 0.00 1.46 -0.58 0.44 -1.05 0.00 0.00 178.16 178.43 1jex n ILE 75 N -3.45 1.67 -0.11 -2.88 -5.35 -1.26 -3.24 119.36 104.75 1jex n ILE 75 Ca -0.20 -0.48 -0.17 0.00 -0.27 0.00 0.00 62.75 61.63 1jex n ILE 75 Cb 1.05 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.85 1jex n ILE 75 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1jex n ILE 76 N -0.18 1.26 0.00 7.28 -5.35 -1.21 -4.76 119.36 116.40 1jex n ILE 76 Ca 0.16 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1jex n ILE 76 Cb 0.27 -1.38 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 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 2.27 -0.09 3.63 3.28 0.00 -1.20 -4.77 105.19 108.31 1jex n GLY 77 Ca -0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 0.56 0.92 1.61 -1.05 -1.26 -3.03 118.70 116.44 1jex s GLU 78 Ca 0.00 1.41 -0.12 0.00 -0.15 0.00 0.00 54.97 56.10 1jex s GLU 78 Cb 0.00 0.85 0.06 0.00 -0.44 0.00 0.00 34.13 34.59 1jex s GLU 78 CO 0.00 -0.19 0.61 1.47 0.95 0.00 0.00 175.26 178.10 1jex n LEU 79 N 5.41 0.85 -3.45 1.83 -0.00 -1.26 -4.07 117.00 116.32 1jex n LEU 79 Ca -0.12 0.38 -0.38 0.00 -0.00 0.00 0.00 56.01 55.89 1jex n LEU 79 Cb 0.49 -1.28 -0.03 0.00 -0.00 0.00 0.00 43.42 42.60 1jex n LEU 79 CO -0.04 -3.18 0.03 1.57 -0.00 0.00 0.00 177.39 175.77 1jex n HIS 80 N -3.63 -0.30 0.19 1.47 -0.00 0.88 -4.67 115.22 109.16 1jex n HIS 80 Ca 0.08 0.77 0.07 0.00 -0.00 0.00 0.00 57.72 58.64 1jex n HIS 80 Cb 0.53 -1.54 0.27 0.00 -0.00 0.00 0.00 29.99 29.25 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 0.92 0.00 0.00 1.57 0.13 -1.92 -1.51 132.00 131.20 1jex h PRO 81 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1jex h PRO 81 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jex h PRO 81 CO 0.45 0.33 -0.06 0.22 -0.23 0.00 0.00 178.00 178.71 1jex h ASP 82 N 0.00 0.00 0.09 1.44 1.82 -1.98 -3.07 116.42 114.71 1jex h ASP 82 Ca -0.00 -0.01 -0.32 0.00 -0.39 0.00 0.00 57.03 56.31 1jex h ASP 82 Cb 1.01 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.00 1jex h ASP 82 CO 0.04 0.00 -1.72 0.44 -1.61 0.00 0.00 179.24 176.40 1jex h ASP 83 N 0.00 0.29 -0.01 2.28 5.19 -1.82 -3.05 116.42 119.31 1jex h ASP 83 Ca 0.00 -0.81 0.00 0.00 -0.62 0.00 0.00 57.03 55.61 1jex h ASP 83 Cb 0.86 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1jex h ASP 83 CO 0.00 1.73 0.02 0.08 -3.12 0.00 0.00 179.24 177.95 1jex h ARG 84 N -0.29 0.00 -0.00 3.56 -0.00 -1.33 0.38 114.38 116.69 1jex h ARG 84 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.59 1jex h ARG 84 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.76 1jex h ARG 84 CO -0.00 0.00 -0.76 0.43 -0.00 0.00 0.00 179.97 179.64 1jex n SER 85 N -3.53 1.02 0.06 0.08 7.64 -1.16 -4.03 113.62 113.70 1jex n SER 85 Ca -0.03 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.86 1jex n SER 85 Cb 0.10 0.69 -0.13 0.00 -1.01 0.00 0.00 64.21 63.86 1jex n SER 85 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jex h LYS 86 N 0.40 0.12 0.00 1.43 1.57 -0.14 -3.10 116.57 116.86 1jex h LYS 86 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1jex h LYS 86 Cb 0.53 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jex h LYS 86 CO 0.00 1.02 0.00 -0.89 -0.57 0.00 0.00 179.45 179.01 1jex n ILE 87 N -3.38 0.70 0.13 1.86 5.41 -0.84 -5.09 119.36 118.14 1jex n ILE 87 Ca -0.07 0.17 0.01 0.00 1.00 0.00 0.00 62.75 63.86 1jex n ILE 87 Cb 1.00 -0.94 0.06 0.00 -0.71 0.00 0.00 39.64 39.05 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55