#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 4.00 -0.91 5.55 1.02 -1.26 -5.00 119.74 123.14 1jex s LYS 5 Ca 0.00 0.26 -0.20 0.00 0.02 0.00 0.00 55.97 56.05 1jex s LYS 5 Cb 0.00 -3.30 0.11 0.00 -0.52 0.00 0.00 37.83 34.12 1jex s LYS 5 CO 0.00 0.52 1.15 0.71 -0.92 0.00 0.00 175.35 176.81 1jex s TYR 6 N -0.45 2.98 -0.20 3.18 2.02 -1.26 -4.38 117.35 119.23 1jex s TYR 6 Ca 0.21 -1.21 -0.10 0.00 -0.37 0.00 0.00 57.07 55.60 1jex s TYR 6 Cb -0.15 -4.34 -0.05 0.00 -0.40 0.00 0.00 41.96 37.02 1jex s TYR 6 CO 0.09 -1.57 0.13 1.52 -1.57 0.00 0.00 175.55 174.15 1jex s TYR 7 N 3.19 3.40 0.57 2.71 -0.85 -1.26 -4.46 117.35 120.65 1jex s TYR 7 Ca 0.33 0.31 -0.15 0.00 -0.52 0.00 0.00 57.07 57.04 1jex s TYR 7 Cb -0.06 -2.16 -0.05 0.00 0.38 0.00 0.00 41.96 40.08 1jex s TYR 7 CO -0.07 0.27 1.03 0.95 -1.52 0.00 0.00 175.55 176.21 1jex s THR 8 N 0.39 4.16 0.37 -3.49 -4.23 -1.26 -1.12 115.64 110.47 1jex s THR 8 Ca 0.08 0.98 0.28 0.00 -1.18 0.00 0.00 61.69 61.85 1jex s THR 8 Cb -0.11 -3.55 0.43 0.00 1.34 0.00 0.00 72.50 70.61 1jex s THR 8 CO -0.02 -0.65 1.31 0.00 -0.54 0.00 0.00 174.62 174.72 1jex n LEU 9 N -2.00 0.17 -0.53 4.79 -0.00 -1.26 0.19 117.00 118.36 1jex n LEU 9 Ca 0.08 1.15 0.45 0.00 -0.00 0.00 0.00 56.01 57.68 1jex n LEU 9 Cb 0.53 -0.56 0.70 0.00 -0.00 0.00 0.00 43.42 44.09 1jex n LEU 9 CO 0.48 -1.24 1.41 -0.08 -0.00 0.00 0.00 177.39 177.96 1jex h GLU 10 N 0.00 0.00 0.00 1.47 4.81 -1.97 2.40 114.58 121.29 1jex h GLU 10 Ca 0.74 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.73 1jex h GLU 10 Cb 2.42 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.76 1jex h GLU 10 CO -0.37 0.00 -1.73 0.39 -0.73 0.00 0.00 179.01 176.57 1jex n GLU 11 N -3.73 0.56 -0.30 1.92 -0.58 0.51 -3.50 120.64 115.52 1jex n GLU 11 Ca 0.37 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.50 1jex n GLU 11 Cb 1.82 -1.49 0.36 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 0.82 -0.03 -3.67 5.03 -0.96 0.38 117.51 118.08 1jex h ILE 12 Ca -0.36 -0.25 -0.14 0.00 -0.12 0.00 0.00 64.86 63.99 1jex h ILE 12 Cb 1.29 0.02 -0.02 0.00 -3.03 0.00 0.00 36.82 35.08 1jex h ILE 12 CO -0.22 0.13 -0.63 0.06 -0.68 0.00 0.00 178.15 176.82 1jex h GLN 13 N 0.73 0.12 0.00 2.37 3.07 0.38 -2.30 115.11 119.48 1jex h GLN 13 Ca 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 59.13 1jex h GLN 13 Cb 0.75 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1jex h GLN 13 CO -0.24 0.71 0.00 1.63 0.09 0.00 0.00 178.83 181.02 1jex n LYS 14 N -3.82 0.37 -2.70 0.06 4.76 0.12 -3.33 118.16 113.62 1jex n LYS 14 Ca -0.02 0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 1jex n LYS 14 Cb 0.63 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 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 -1.25 3.57 -2.55 2.13 8.25 -0.51 -4.83 115.22 120.04 1jex n HIS 15 Ca 0.11 -3.38 -0.34 0.00 -0.26 0.00 0.00 57.72 53.86 1jex n HIS 15 Cb 0.16 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 -0.28 3.84 -3.97 -0.41 4.81 -1.13 -3.16 118.16 117.86 1jex n LYS 16 Ca 0.38 -4.46 -0.08 0.00 -0.87 0.00 0.00 58.31 53.27 1jex n LYS 16 Cb 0.40 -2.32 -0.09 0.00 0.02 0.00 0.00 35.03 33.04 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 0.27 0.27 3.14 2.15 0.21 -5.00 116.67 115.34 1jex s ASP 17 Ca 0.46 -0.70 -0.00 0.00 0.43 0.00 0.00 52.55 52.74 1jex s ASP 17 Cb 0.31 0.23 0.58 0.00 -0.30 0.00 0.00 42.92 43.74 1jex s ASP 17 CO -0.20 -0.57 1.74 0.77 -0.17 0.00 0.00 175.17 176.74 1jex h SER 18 N 3.38 0.43 -0.87 -0.34 4.64 -1.95 0.39 113.55 119.24 1jex h SER 18 Ca -0.33 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1jex h SER 18 Cb 1.18 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1jex h SER 18 CO 0.56 0.14 0.52 0.07 -0.87 0.00 0.00 176.83 177.25 1jex h LYS 19 N 0.53 1.19 -3.14 4.77 2.10 -1.96 -3.40 116.57 116.67 1jex h LYS 19 Ca 0.48 -0.11 -0.43 0.00 -2.00 0.00 0.00 60.65 58.60 1jex h LYS 19 Cb 0.77 -0.25 -0.40 0.00 -0.90 0.00 0.00 32.23 31.45 1jex h LYS 19 CO -0.42 0.84 -0.74 -1.12 -2.00 0.00 0.00 179.45 176.01 1jex s SER 20 N -6.26 1.90 -0.22 7.07 0.01 0.13 -4.89 113.70 111.44 1jex s SER 20 Ca -0.12 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 56.71 1jex s SER 20 Cb 0.17 -0.20 0.11 0.00 0.21 0.00 0.00 66.02 66.31 1jex s SER 20 CO 0.81 -0.31 0.46 -0.89 0.41 0.00 0.00 173.24 173.72 1jex s THR 21 N 2.15 -0.72 0.46 1.44 2.01 -0.96 0.65 115.64 120.68 1jex s THR 21 Ca 0.03 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.17 1jex s THR 21 Cb -0.15 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1jex s THR 21 CO -0.07 0.04 0.10 0.79 -0.69 0.00 0.00 174.62 174.79 1jex n TRP 22 N 5.40 0.52 -3.45 4.92 8.01 -1.25 -3.17 117.44 128.43 1jex n TRP 22 Ca -0.08 -2.70 -0.06 0.00 -1.31 0.00 0.00 57.50 53.35 1jex n TRP 22 Cb 0.49 -0.13 -0.07 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 -3.07 -0.72 -0.94 -0.99 -7.23 -1.19 -4.05 120.40 102.20 1jex s VAL 23 Ca 0.14 0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 60.09 1jex s VAL 23 Cb 0.01 -0.81 -0.08 0.00 0.56 0.00 0.00 36.38 36.06 1jex s VAL 23 CO 0.10 -0.03 2.04 0.27 -0.31 0.00 0.00 175.10 177.17 1jex s ILE 24 N 2.65 3.36 -0.12 -0.62 -5.25 -1.23 -2.84 121.20 117.15 1jex s ILE 24 Ca 0.08 -0.38 0.01 0.00 -0.99 0.00 0.00 60.65 59.37 1jex s ILE 24 Cb -0.14 -3.92 -0.01 0.00 2.95 0.00 0.00 42.46 41.34 1jex s ILE 24 CO -0.16 -0.74 -0.15 -1.48 -1.79 0.00 0.00 174.94 170.62 1jex s LEU 25 N 11.47 2.63 -0.85 0.37 0.05 -0.54 -4.08 118.68 127.72 1jex s LEU 25 Ca 0.74 -0.35 -0.01 0.00 0.05 0.00 0.00 54.13 54.57 1jex s LEU 25 Cb -0.07 -1.58 0.00 0.00 -2.05 0.00 0.00 46.19 42.50 1jex s LEU 25 CO 0.04 0.18 0.11 1.57 -0.55 0.00 0.00 176.35 177.70 1jex n HIS 26 N 3.42 -0.68 -0.93 3.48 -0.00 -1.26 -1.75 115.22 117.51 1jex n HIS 26 Ca -0.18 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1jex n HIS 26 Cb 0.53 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.93 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 -3.96 0.00 -3.83 1.57 -0.00 -1.26 -4.93 115.22 102.80 1jex n HIS 27 Ca -0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.39 1jex n HIS 27 Cb 0.58 -1.17 -0.17 0.00 -0.00 0.00 0.00 29.99 29.23 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 -1.09 0.73 0.48 1.57 -2.85 -0.72 -4.46 119.74 113.41 1jex s LYS 28 Ca 0.00 0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 54.82 1jex s LYS 28 Cb 0.00 -1.02 -0.09 0.00 -2.06 0.00 0.00 37.83 34.66 1jex s LYS 28 CO 0.00 -0.27 0.98 0.54 0.10 0.00 0.00 175.35 176.70 1jex s VAL 29 N 1.80 4.29 -0.08 1.79 0.11 -1.07 -1.47 120.40 125.78 1jex s VAL 29 Ca 0.03 1.29 0.02 0.00 -2.93 0.00 0.00 61.98 60.38 1jex s VAL 29 Cb -0.13 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.14 1jex s VAL 29 CO -0.05 -0.45 -0.12 -0.31 -3.33 0.00 0.00 175.10 170.84 1jex s TYR 30 N -2.32 1.56 -1.25 1.54 1.51 -1.13 -3.32 117.35 113.94 1jex s TYR 30 Ca 0.62 -0.64 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 1jex s TYR 30 Cb -0.11 -1.16 0.15 0.00 -0.11 0.00 0.00 41.96 40.73 1jex s TYR 30 CO 0.22 -0.35 1.62 -3.47 -1.11 0.00 0.00 175.55 172.47 1jex n ASP 31 N 4.06 5.09 -0.59 2.29 2.03 -1.22 -3.18 116.55 125.03 1jex n ASP 31 Ca -0.21 -2.99 0.04 0.00 0.52 0.00 0.00 54.79 52.15 1jex n ASP 31 Cb 0.51 -1.58 0.12 0.00 -0.72 0.00 0.00 41.12 39.45 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 5.62 1.66 0.20 -2.67 -0.00 -1.24 -3.95 117.00 116.61 1jex n LEU 32 Ca 0.40 -0.83 0.14 0.00 -0.00 0.00 0.00 56.01 55.71 1jex n LEU 32 Cb 0.41 -0.26 0.71 0.00 -0.00 0.00 0.00 43.42 44.28 1jex n LEU 32 CO 0.70 0.35 0.91 0.00 -0.00 0.00 0.00 177.39 179.35 1jex h THR 33 N 1.47 0.00 0.00 1.47 1.03 -1.82 1.83 112.91 116.89 1jex h THR 33 Ca 0.00 -0.04 -0.18 0.00 -0.01 0.00 0.00 66.41 66.18 1jex h THR 33 Cb 0.50 0.67 -0.03 0.00 -1.07 0.00 0.00 68.15 68.22 1jex h THR 33 CO 0.04 0.00 -1.10 1.17 -0.01 0.00 0.00 175.52 175.62 1jex n LYS 34 N -2.44 0.53 -0.15 0.00 3.00 -1.25 -4.15 118.16 113.70 1jex n LYS 34 Ca -0.01 0.56 0.04 0.00 -0.00 0.00 0.00 58.31 58.90 1jex n LYS 34 Cb 0.07 -1.73 0.13 0.00 0.00 0.00 0.00 35.03 33.50 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 -4.48 0.39 -0.32 5.64 -1.74 -0.92 -4.09 117.46 111.94 1jex n PHE 35 Ca -0.26 -0.19 0.04 0.00 -0.56 0.00 0.00 57.45 56.48 1jex n PHE 35 Cb 0.57 -0.01 0.19 0.00 1.52 0.00 0.00 39.48 41.76 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 1.64 0.79 -0.18 5.98 6.46 0.27 0.36 115.31 130.63 1jex h LEU 36 Ca 0.00 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1jex h LEU 36 Cb 0.39 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1jex h LEU 36 CO 0.00 0.44 -0.45 -0.08 -0.62 0.00 0.00 178.44 177.73 1jex h GLU 37 N 0.89 0.00 -0.00 1.25 4.81 -1.82 -2.95 114.58 116.76 1jex h GLU 37 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1jex h GLU 37 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1jex h GLU 37 CO -0.25 0.45 -0.06 0.39 -0.73 0.00 0.00 179.01 178.82 1jex n GLU 38 N -3.26 0.79 -3.03 1.92 1.02 0.40 -4.81 120.64 113.67 1jex n GLU 38 Ca 0.02 -0.22 -0.40 0.00 -0.02 0.00 0.00 57.16 56.54 1jex n GLU 38 Cb 0.68 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 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 -2.35 3.65 -0.73 -0.32 2.46 0.98 -4.94 115.29 114.03 1jex s HIS 39 Ca 0.33 1.34 0.24 0.00 0.47 0.00 0.00 55.06 57.44 1jex s HIS 39 Cb 0.21 -2.80 0.91 0.00 -0.13 0.00 0.00 32.58 30.77 1jex s HIS 39 CO 0.44 0.18 1.73 -0.35 -2.47 0.00 0.00 174.74 174.27 1jex n PRO 40 N 3.34 0.16 0.00 2.88 -0.04 -1.26 -4.12 135.00 135.96 1jex n PRO 40 Ca -0.02 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1jex n PRO 40 Cb 0.51 -1.73 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.69 -2.87 0.00 0.55 0.00 -1.26 -5.05 105.19 97.25 1jex n GLY 41 Ca 0.04 0.01 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 -0.41 1.19 0.00 -0.02 0.00 -1.26 -4.99 105.19 99.70 1jex n GLY 42 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 5.77 0.00 1.61 2.13 -1.26 -4.53 120.64 124.36 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 -0.47 0.00 0.00 0.27 0.00 0.00 31.44 31.24 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 -0.91 -0.11 -0.06 5.31 0.00 -1.26 -4.41 120.64 119.21 1jex n GLU 44 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 57.16 56.74 1jex n GLU 44 Cb 0.00 -0.91 -0.16 0.00 0.00 0.00 0.00 31.44 30.36 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 -0.10 0.72 0.07 3.84 3.14 -1.26 -2.46 118.33 122.28 1jex n VAL 45 Ca 0.00 -0.68 -0.13 0.00 -2.96 0.00 0.00 64.34 60.56 1jex n VAL 45 Cb 0.01 -0.24 -0.14 0.00 -1.06 0.00 0.00 33.84 32.42 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 0.26 0.00 6.55 3.38 -1.81 -3.30 115.31 120.39 1jex h LEU 46 Ca -0.29 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1jex h LEU 46 Cb 1.65 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1jex h LEU 46 CO 0.02 1.26 -1.25 -2.11 0.09 0.00 0.00 178.44 176.44 1jex n ARG 47 N -3.42 0.62 0.01 1.13 1.85 -1.26 -4.02 116.66 111.57 1jex n ARG 47 Ca -0.09 0.04 0.22 0.00 -1.00 0.00 0.00 57.85 57.02 1jex n ARG 47 Cb 1.01 -1.75 0.65 0.00 -1.05 0.00 0.00 32.46 31.32 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 -0.24 2.89 4.22 -1.56 1.22 114.58 121.11 1jex h GLU 48 Ca -0.00 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.28 1jex h GLU 48 Cb 1.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.15 1jex h GLU 48 CO 0.00 0.00 -0.41 1.04 -2.18 0.00 0.00 179.01 177.46 1jex n GLN 49 N -3.51 2.01 -1.90 1.92 1.13 -1.26 -4.84 117.38 110.93 1jex n GLN 49 Ca 0.12 -3.42 -0.40 0.00 -1.94 0.00 0.00 57.00 51.35 1jex n GLN 49 Cb 0.89 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 29.44 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 -1.05 6.82 0.00 -1.58 0.00 0.42 -3.62 120.51 121.50 1jex n ALA 50 Ca 0.28 -4.01 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1jex n ALA 50 Cb 0.83 -2.89 0.00 0.00 0.00 0.00 0.00 19.45 17.39 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 2.12 0.14 0.00 0.00 0.00 -1.26 -4.40 105.19 101.78 1jex n GLY 51 Ca 0.63 -0.07 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 -0.87 2.34 3.33 -0.02 0.00 -1.24 -4.68 105.19 104.04 1jex n GLY 52 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 0.61 4.78 0.00 1.61 -4.77 -1.26 -3.48 116.67 114.16 1jex s ASP 53 Ca 0.00 -0.57 0.25 0.00 -3.30 0.00 0.00 52.55 48.93 1jex s ASP 53 Cb 0.00 -1.82 0.47 0.00 -1.09 0.00 0.00 42.92 40.49 1jex s ASP 53 CO 0.00 -0.11 1.39 0.00 0.70 0.00 0.00 175.17 177.15 1jex n ALA 54 N 4.83 3.60 -0.25 2.11 0.00 -1.26 -4.00 120.51 125.54 1jex n ALA 54 Ca -0.16 -0.36 0.32 0.00 0.00 0.00 0.00 53.44 53.24 1jex n ALA 54 Cb 0.49 -1.10 0.74 0.00 0.00 0.00 0.00 19.45 19.58 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 0.02 0.48 -0.13 0.00 1.03 -1.91 3.26 112.91 115.66 1jex h THR 55 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 66.41 66.33 1jex h THR 55 Cb 0.50 0.48 -0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1jex h THR 55 CO 0.00 0.00 -0.19 1.05 -0.01 0.00 0.00 175.52 176.37 1jex h GLU 56 N 0.00 0.35 0.02 0.00 4.11 -1.96 0.31 114.58 117.41 1jex h GLU 56 Ca 0.50 -0.21 -0.22 0.00 0.07 0.00 0.00 59.36 59.49 1jex h GLU 56 Cb 2.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1jex h GLU 56 CO -0.01 0.79 -1.09 -0.91 0.07 0.00 0.00 179.01 177.87 1jex h ASN 57 N -0.05 0.05 -0.24 3.06 4.21 -0.59 -2.23 115.58 119.79 1jex h ASN 57 Ca 0.01 -0.06 -0.19 0.00 1.21 0.00 0.00 56.30 57.27 1jex h ASN 57 Cb 0.76 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1jex h ASN 57 CO 0.04 1.05 -0.59 0.15 -1.29 0.00 0.00 177.43 176.80 1jex h PHE 58 N 0.01 1.08 0.00 1.19 3.04 0.57 -2.97 116.94 119.87 1jex h PHE 58 Ca -0.05 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.50 1jex h PHE 58 Cb 1.81 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 40.13 1jex h PHE 58 CO 0.01 1.23 0.00 1.05 -2.02 0.00 0.00 178.31 178.58 1jex h GLU 59 N 0.64 0.00 0.36 1.11 -0.00 -0.45 -3.25 114.58 112.98 1jex h GLU 59 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.35 1jex h GLU 59 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1jex h GLU 59 CO 0.13 0.00 -0.18 0.22 -0.00 0.00 0.00 179.01 179.18 1jex h ASP 60 N 0.00 -0.42 0.61 3.06 3.58 -1.23 -0.97 116.42 121.06 1jex h ASP 60 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1jex h ASP 60 Cb 0.84 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1jex h ASP 60 CO 0.00 -0.30 0.00 1.62 -2.88 0.00 0.00 179.24 177.68 1jex h VAL 61 N -0.49 0.00 -4.62 2.25 3.04 -1.62 -3.47 116.25 111.34 1jex h VAL 61 Ca -0.05 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1jex h VAL 61 Cb 0.37 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1jex h VAL 61 CO 0.08 0.00 -0.31 0.61 -1.01 0.00 0.00 177.57 176.94 1jex n GLY 62 N -0.37 -1.11 3.76 3.17 0.00 -0.37 -4.96 105.19 105.31 1jex n GLY 62 Ca 0.00 0.79 -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 -2.24 3.45 1.12 1.61 3.76 -1.25 -5.01 115.29 116.72 1jex s HIS 63 Ca 0.16 1.63 -0.13 0.00 -0.15 0.00 0.00 55.06 56.57 1jex s HIS 63 Cb -0.04 -3.38 0.26 0.00 1.11 0.00 0.00 32.58 30.52 1jex s HIS 63 CO 0.54 -0.87 1.05 0.45 -0.85 0.00 0.00 174.74 175.06 1jex s SER 64 N -0.79 1.41 0.05 1.40 0.15 -1.26 -4.88 113.70 109.78 1jex s SER 64 Ca 0.46 1.45 0.20 0.00 0.70 0.00 0.00 55.95 58.76 1jex s SER 64 Cb -0.34 -2.20 0.85 0.00 -1.71 0.00 0.00 66.02 62.62 1jex s SER 64 CO 0.44 -3.92 1.64 1.07 1.20 0.00 0.00 173.24 173.67 1jex n THR 65 N -4.73 0.68 1.46 6.45 5.66 -1.26 -1.80 114.28 120.74 1jex n THR 65 Ca 0.04 0.15 0.14 0.00 -3.05 0.00 0.00 64.05 61.32 1jex n THR 65 Cb 0.55 -0.86 0.62 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.64 0.58 0.16 1.09 8.00 -1.26 -3.19 116.55 120.29 1jex n ASP 66 Ca 0.04 -0.74 0.06 0.00 0.71 0.00 0.00 54.79 54.86 1jex n ASP 66 Cb 0.24 -0.04 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1jex n ASP 66 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1jex h VAL 67 N 0.76 0.53 -0.02 2.53 2.07 -1.69 -3.09 116.25 117.35 1jex h VAL 67 Ca 0.00 -1.77 -0.14 0.00 0.82 0.00 0.00 66.70 65.61 1jex h VAL 67 Cb 0.35 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 1jex h VAL 67 CO 0.00 0.30 -0.64 -0.09 0.02 0.00 0.00 177.57 177.16 1jex h ARG 68 N 0.00 0.08 -0.39 1.57 2.43 -1.72 -2.65 114.38 113.70 1jex h ARG 68 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1jex h ARG 68 Cb 1.26 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1jex h ARG 68 CO 0.04 0.69 0.00 -0.85 -1.51 0.00 0.00 179.97 178.34 1jex n GLU 69 N -3.80 2.08 -0.05 0.20 0.28 -1.20 -4.23 120.64 113.92 1jex n GLU 69 Ca -0.02 -1.66 -0.00 0.00 -0.16 0.00 0.00 57.16 55.32 1jex n GLU 69 Cb 0.64 -1.40 -0.00 0.00 1.43 0.00 0.00 31.44 32.11 1jex n GLU 69 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1jex h LEU 70 N 2.91 0.00 -6.22 -1.84 7.12 -1.39 -3.38 115.31 112.52 1jex h LEU 70 Ca 0.00 0.00 -0.74 0.00 0.13 0.00 0.00 57.88 57.27 1jex h LEU 70 Cb 0.66 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 40.67 1jex h LEU 70 CO 0.00 0.48 2.43 -1.20 -0.13 0.00 0.00 178.44 180.03 1jex n SER 71 N -4.57 4.99 -0.04 1.25 7.64 -1.25 -4.64 113.62 117.00 1jex n SER 71 Ca -0.01 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 56.73 1jex n SER 71 Cb 0.02 -1.53 -0.11 0.00 -1.01 0.00 0.00 64.21 61.58 1jex n SER 71 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jex h LYS 72 N 5.73 -0.03 0.10 1.43 1.57 -1.81 -3.12 116.57 120.44 1jex h LYS 72 Ca 0.48 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.92 1jex h LYS 72 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1jex h LYS 72 CO 1.70 0.72 -1.87 1.15 -0.57 0.00 0.00 179.45 180.59 1jex h THR 73 N -0.87 0.75 -0.64 -0.16 2.02 -1.95 -3.36 112.91 108.70 1jex h THR 73 Ca -0.00 -2.48 0.12 0.00 0.77 0.00 0.00 66.41 64.82 1jex h THR 73 Cb 0.76 2.53 -0.09 0.00 -1.74 0.00 0.00 68.15 69.61 1jex h THR 73 CO 0.00 0.80 0.17 1.88 0.37 0.00 0.00 175.52 178.74 1jex h TYR 74 N 0.06 0.28 -0.70 3.16 0.05 -1.86 -3.43 116.97 114.52 1jex h TYR 74 Ca -0.37 0.04 -0.46 0.00 0.05 0.00 0.00 58.73 57.98 1jex h TYR 74 Cb 2.03 -0.03 0.08 0.00 1.01 0.00 0.00 36.73 39.83 1jex h TYR 74 CO 0.06 -0.01 -0.37 -0.89 -1.05 0.00 0.00 178.16 175.90 1jex n ILE 75 N -5.10 1.37 -0.11 -2.88 2.08 -1.18 -3.45 119.36 110.09 1jex n ILE 75 Ca 0.10 -0.35 -0.22 0.00 0.56 0.00 0.00 62.75 62.84 1jex n ILE 75 Cb 0.34 0.00 -0.09 0.00 -0.75 0.00 0.00 39.64 39.15 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 1.24 0.00 1.39 -5.35 -1.21 -4.76 119.36 110.66 1jex n ILE 76 Ca 0.12 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1jex n ILE 76 Cb 0.18 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.39 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 -0.66 3.42 3.28 0.00 -1.22 -4.73 105.19 107.06 1jex n GLY 77 Ca -0.43 0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.33 1.02 1.61 -1.05 -1.26 -2.59 118.70 116.77 1jex s GLU 78 Ca 0.00 0.83 -0.13 0.00 -0.15 0.00 0.00 54.97 55.52 1jex s GLU 78 Cb 0.00 0.50 0.14 0.00 -0.44 0.00 0.00 34.13 34.33 1jex s GLU 78 CO 0.00 -0.13 0.68 1.47 0.95 0.00 0.00 175.26 178.23 1jex n LEU 79 N 5.07 0.15 -4.43 1.83 -0.00 -1.26 -4.17 117.00 114.20 1jex n LEU 79 Ca -0.09 0.16 -0.46 0.00 -0.00 0.00 0.00 56.01 55.61 1jex n LEU 79 Cb 0.52 -1.25 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1jex n LEU 79 CO -0.04 -3.03 0.05 1.57 -0.00 0.00 0.00 177.39 175.94 1jex n HIS 80 N -4.26 -0.36 0.13 1.47 -0.00 -0.27 -4.73 115.22 107.20 1jex n HIS 80 Ca 0.06 0.87 -0.00 0.00 -0.00 0.00 0.00 57.72 58.65 1jex n HIS 80 Cb 0.55 -1.99 0.13 0.00 -0.00 0.00 0.00 29.99 28.68 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 1.09 0.00 0.00 1.57 0.13 -1.93 0.87 132.00 133.73 1jex h PRO 81 Ca -0.32 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.63 1jex h PRO 81 Cb 1.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.54 1jex h PRO 81 CO 0.56 0.63 -0.85 -0.44 -0.23 0.00 0.00 178.00 177.67 1jex h ASP 82 N 0.00 0.16 1.35 1.44 3.32 -2.00 -3.02 116.42 117.67 1jex h ASP 82 Ca -0.01 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1jex h ASP 82 Cb 1.23 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1jex h ASP 82 CO 0.08 0.94 -0.62 0.44 -1.72 0.00 0.00 179.24 178.35 1jex h ASP 83 N 0.07 0.00 0.47 6.45 5.19 -1.89 -3.22 116.42 123.50 1jex h ASP 83 Ca -0.03 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.26 1jex h ASP 83 Cb 1.48 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.97 1jex h ASP 83 CO 0.12 0.00 -0.50 -0.09 -3.12 0.00 0.00 179.24 175.66 1jex h ARG 84 N 0.00 0.03 0.00 3.56 1.12 -0.70 -1.15 114.38 117.24 1jex h ARG 84 Ca 0.00 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.85 1jex h ARG 84 Cb 0.99 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.95 1jex h ARG 84 CO 0.00 0.53 -0.45 0.45 -3.11 0.00 0.00 179.97 177.39 1jex n SER 85 N -3.94 0.47 0.03 -3.80 2.88 -1.15 -3.41 113.62 104.70 1jex n SER 85 Ca -0.02 -0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.59 1jex n SER 85 Cb 0.52 0.10 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 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 -1.65 0.40 0.00 -1.46 5.02 -0.89 -3.80 118.16 115.78 1jex n LYS 86 Ca 0.05 -0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.40 1jex n LYS 86 Cb 0.36 -1.62 0.33 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.13 0.70 0.59 -0.18 5.41 -0.48 -5.08 119.36 118.19 1jex n ILE 87 Ca 0.01 0.18 0.05 0.00 1.00 0.00 0.00 62.75 63.98 1jex n ILE 87 Cb 0.48 -0.95 0.28 0.00 -0.71 0.00 0.00 39.64 38.74 1jex n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55