#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 4.17 -0.96 1.45 2.20 -1.26 -4.93 119.74 120.41 1jex s LYS 5 Ca 0.00 0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 56.38 1jex s LYS 5 Cb 0.00 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1jex s LYS 5 CO 0.00 -0.47 2.44 0.66 -0.36 0.00 0.00 175.35 177.63 1jex n TYR 6 N 5.84 1.42 -1.92 4.03 4.01 -1.26 -4.50 117.16 124.78 1jex n TYR 6 Ca 0.04 -2.12 -0.42 0.00 -0.16 0.00 0.00 57.90 55.24 1jex n TYR 6 Cb 0.48 -1.82 -0.03 0.00 -0.31 0.00 0.00 39.34 37.66 1jex n TYR 6 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 1jex s TYR 7 N 2.76 3.03 0.57 -0.72 -0.85 -1.26 -2.94 117.35 117.95 1jex s TYR 7 Ca 0.49 0.60 -0.15 0.00 -0.52 0.00 0.00 57.07 57.49 1jex s TYR 7 Cb 0.14 -3.94 -0.05 0.00 0.38 0.00 0.00 41.96 38.49 1jex s TYR 7 CO -0.04 -3.48 1.02 0.95 -1.52 0.00 0.00 175.55 172.48 1jex s THR 8 N 1.20 4.38 0.47 -3.49 -4.23 -1.26 -0.96 115.64 111.76 1jex s THR 8 Ca 0.70 1.02 0.40 0.00 -1.18 0.00 0.00 61.69 62.63 1jex s THR 8 Cb -0.44 -3.66 0.60 0.00 1.34 0.00 0.00 72.50 70.34 1jex s THR 8 CO 0.31 -0.78 1.40 0.00 -0.54 0.00 0.00 174.62 175.02 1jex n LEU 9 N -2.08 0.06 -0.55 4.79 -0.00 -1.26 0.18 117.00 118.13 1jex n LEU 9 Ca 0.07 1.01 0.46 0.00 -0.00 0.00 0.00 56.01 57.55 1jex n LEU 9 Cb 0.54 -0.50 0.80 0.00 -0.00 0.00 0.00 43.42 44.25 1jex n LEU 9 CO 0.50 -1.05 1.43 -0.08 -0.00 0.00 0.00 177.39 178.19 1jex h GLU 10 N 0.00 0.00 0.00 1.47 4.81 -1.97 2.10 114.58 120.99 1jex h GLU 10 Ca 0.83 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.75 1jex h GLU 10 Cb 3.13 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 32.46 1jex h GLU 10 CO -0.15 0.00 -1.91 0.39 -0.73 0.00 0.00 179.01 176.62 1jex n GLU 11 N -4.03 0.57 -0.33 1.92 -0.58 0.47 -3.49 120.64 115.17 1jex n GLU 11 Ca 0.37 0.32 0.11 0.00 -0.42 0.00 0.00 57.16 57.54 1jex n GLU 11 Cb 1.71 -1.53 0.32 0.00 -0.57 0.00 0.00 31.44 31.37 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 0.00 -3.67 5.03 -1.11 0.50 117.51 118.08 1jex h ILE 12 Ca -0.46 -0.28 -0.10 0.00 -0.12 0.00 0.00 64.86 63.89 1jex h ILE 12 Cb 1.38 -0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 35.09 1jex h ILE 12 CO -0.28 0.15 -0.49 0.06 -0.68 0.00 0.00 178.15 176.91 1jex h GLN 13 N 0.81 0.00 0.00 2.37 3.07 0.31 -2.32 115.11 119.36 1jex h GLN 13 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 1jex h GLN 13 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.27 1jex h GLN 13 CO -0.28 0.49 0.00 1.17 0.09 0.00 0.00 178.83 180.30 1jex n LYS 14 N -3.61 0.24 -2.91 0.06 3.00 0.17 -3.18 118.16 111.92 1jex n LYS 14 Ca -0.00 0.12 -0.28 0.00 -0.00 0.00 0.00 58.31 58.14 1jex n LYS 14 Cb 0.57 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.07 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 -1.30 3.96 -2.95 5.64 8.25 -0.87 -4.89 115.22 123.06 1jex n HIS 15 Ca 0.08 -3.88 -0.35 0.00 -0.26 0.00 0.00 57.72 53.32 1jex n HIS 15 Cb 0.15 -0.54 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 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 -0.24 4.08 -3.91 -0.41 4.81 -1.17 -3.46 118.16 117.86 1jex n LYS 16 Ca 0.32 -4.70 -0.10 0.00 -0.87 0.00 0.00 58.31 52.96 1jex n LYS 16 Cb 0.39 -2.37 -0.06 0.00 0.02 0.00 0.00 35.03 33.00 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 -2.26 -0.05 0.34 3.14 1.11 -0.63 -5.02 116.67 113.30 1jex s ASP 17 Ca 0.40 -0.78 0.02 0.00 0.18 0.00 0.00 52.55 52.37 1jex s ASP 17 Cb 0.18 0.49 0.59 0.00 1.07 0.00 0.00 42.92 45.24 1jex s ASP 17 CO -0.06 -0.96 1.96 0.77 1.18 0.00 0.00 175.17 178.06 1jex h SER 18 N 2.43 0.71 -0.01 0.27 4.64 -1.94 -2.35 113.55 117.30 1jex h SER 18 Ca -0.30 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1jex h SER 18 Cb 1.24 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1jex h SER 18 CO 0.44 0.58 0.00 0.50 -0.87 0.00 0.00 176.83 177.48 1jex h LYS 19 N 0.80 0.01 -3.59 4.77 3.11 -1.96 -3.40 116.57 116.31 1jex h LYS 19 Ca 0.20 -0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.49 1jex h LYS 19 Cb 0.03 -0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 30.86 1jex h LYS 19 CO -0.03 0.19 -0.76 0.45 -2.81 0.00 0.00 179.45 176.48 1jex s SER 20 N -5.39 3.44 -0.04 4.20 0.15 -0.92 -4.84 113.70 110.30 1jex s SER 20 Ca -0.14 -1.17 -0.01 0.00 0.70 0.00 0.00 55.95 55.32 1jex s SER 20 Cb 0.05 -0.74 0.03 0.00 -1.71 0.00 0.00 66.02 63.65 1jex s SER 20 CO 0.67 -0.34 0.08 -0.89 1.20 0.00 0.00 173.24 173.95 1jex s THR 21 N 1.74 -0.07 0.24 6.45 2.01 -0.97 -1.60 115.64 123.43 1jex s THR 21 Ca 0.03 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1jex s THR 21 Cb -0.17 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.18 1jex s THR 21 CO -0.15 0.09 0.04 0.79 -0.69 0.00 0.00 174.62 174.70 1jex n TRP 22 N 4.33 0.34 -3.23 4.92 8.01 -1.25 -2.86 117.44 127.70 1jex n TRP 22 Ca -0.25 -1.35 -0.00 0.00 -1.31 0.00 0.00 57.50 54.59 1jex n TRP 22 Cb 0.51 -0.09 -0.03 0.00 -2.01 0.00 0.00 31.31 29.68 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 -2.16 -0.87 -0.77 -0.99 -7.23 -1.08 -4.05 120.40 103.25 1jex s VAL 23 Ca 0.06 -0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 59.95 1jex s VAL 23 Cb 0.00 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1jex s VAL 23 CO 0.04 -0.04 1.91 0.27 -0.31 0.00 0.00 175.10 176.97 1jex s ILE 24 N 2.76 3.40 0.01 -0.62 -5.25 -1.25 -2.49 121.20 117.76 1jex s ILE 24 Ca 0.18 -0.10 0.07 0.00 -0.99 0.00 0.00 60.65 59.81 1jex s ILE 24 Cb -0.15 -3.98 -0.03 0.00 2.95 0.00 0.00 42.46 41.26 1jex s ILE 24 CO -0.19 -0.93 -0.22 -1.48 -1.79 0.00 0.00 174.94 170.33 1jex s LEU 25 N 9.61 2.36 -1.30 0.37 0.05 0.71 -4.25 118.68 126.23 1jex s LEU 25 Ca 0.69 -0.45 -0.04 0.00 0.05 0.00 0.00 54.13 54.38 1jex s LEU 25 Cb -0.09 -1.41 0.02 0.00 -2.05 0.00 0.00 46.19 42.66 1jex s LEU 25 CO 0.09 0.29 0.28 1.41 -0.55 0.00 0.00 176.35 177.87 1jex n HIS 26 N 1.94 -1.61 -0.94 3.48 8.25 -1.26 0.19 115.22 125.28 1jex n HIS 26 Ca -0.16 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1jex n HIS 26 Cb 0.52 -3.30 0.00 0.00 1.12 0.00 0.00 29.99 28.33 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 -3.86 0.00 -4.17 4.41 -0.00 -1.26 -4.95 115.22 105.39 1jex n HIS 27 Ca -0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.33 1jex n HIS 27 Cb 0.60 -1.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.43 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 -0.93 1.99 0.13 1.57 1.02 0.52 -4.24 119.74 119.80 1jex s LYS 28 Ca 0.00 -0.45 -0.24 0.00 0.02 0.00 0.00 55.97 55.29 1jex s LYS 28 Cb 0.00 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.42 1jex s LYS 28 CO 0.00 -0.17 0.74 0.54 -0.92 0.00 0.00 175.35 175.55 1jex s VAL 29 N 1.32 4.48 -0.10 3.17 0.11 -1.16 -0.21 120.40 128.02 1jex s VAL 29 Ca -0.00 1.62 0.04 0.00 -2.93 0.00 0.00 61.98 60.70 1jex s VAL 29 Cb -0.14 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 1jex s VAL 29 CO -0.06 0.50 -0.24 -0.31 -3.33 0.00 0.00 175.10 171.67 1jex s TYR 30 N -0.96 2.52 -1.08 1.54 1.51 -1.04 -3.16 117.35 116.67 1jex s TYR 30 Ca 0.35 -1.03 -0.17 0.00 -1.01 0.00 0.00 57.07 55.21 1jex s TYR 30 Cb -0.22 -1.68 0.14 0.00 -0.11 0.00 0.00 41.96 40.08 1jex s TYR 30 CO 0.25 -0.41 1.33 0.34 -1.11 0.00 0.00 175.55 175.94 1jex s ASP 31 N 0.35 6.82 -0.18 2.29 2.15 0.11 -2.63 116.67 125.59 1jex s ASP 31 Ca -0.19 -2.44 0.10 0.00 0.43 0.00 0.00 52.55 50.45 1jex s ASP 31 Cb -0.18 -2.42 0.59 0.00 -0.30 0.00 0.00 42.92 40.61 1jex s ASP 31 CO 0.09 -0.97 1.42 0.00 -0.17 0.00 0.00 175.17 175.54 1jex n LEU 32 N 6.46 4.51 0.18 -1.34 -0.00 -1.21 -4.20 117.00 121.40 1jex n LEU 32 Ca 0.32 -2.29 0.14 0.00 -0.00 0.00 0.00 56.01 54.17 1jex n LEU 32 Cb 0.46 -0.64 0.61 0.00 -0.00 0.00 0.00 43.42 43.85 1jex n LEU 32 CO 0.58 0.54 0.91 0.00 -0.00 0.00 0.00 177.39 179.42 1jex h THR 33 N 2.80 0.00 0.00 1.47 1.03 -1.82 0.73 112.91 117.12 1jex h THR 33 Ca 0.02 -0.23 -0.18 0.00 -0.01 0.00 0.00 66.41 66.01 1jex h THR 33 Cb 1.62 0.99 -0.03 0.00 -1.07 0.00 0.00 68.15 69.66 1jex h THR 33 CO 0.38 0.00 -1.11 1.17 -0.01 0.00 0.00 175.52 175.95 1jex n LYS 34 N -2.49 0.54 -0.04 0.00 3.00 -1.26 -4.10 118.16 113.81 1jex n LYS 34 Ca 0.01 0.56 0.07 0.00 -0.00 0.00 0.00 58.31 58.94 1jex n LYS 34 Cb 0.19 -1.73 0.33 0.00 0.00 0.00 0.00 35.03 33.83 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 -4.47 0.10 -0.29 5.64 -0.00 -1.13 -3.87 117.46 113.43 1jex n PHE 35 Ca -0.27 -0.05 0.11 0.00 -0.00 0.00 0.00 57.45 57.24 1jex n PHE 35 Cb 0.58 0.00 0.35 0.00 -0.00 0.00 0.00 39.48 40.41 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 0.70 0.72 0.00 -2.13 6.46 0.34 0.49 115.31 121.89 1jex h LEU 36 Ca 0.00 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1jex h LEU 36 Cb 0.16 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1jex h LEU 36 CO 0.00 0.37 -0.31 -0.08 -0.62 0.00 0.00 178.44 177.81 1jex h GLU 37 N 0.76 0.00 -0.00 1.25 4.81 -1.83 -3.13 114.58 116.44 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 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1jex h GLU 37 CO -0.21 0.01 -0.23 0.39 -0.73 0.00 0.00 179.01 178.23 1jex n GLU 38 N -2.98 0.01 -2.87 1.92 1.02 0.14 -4.82 120.64 113.06 1jex n GLU 38 Ca 0.03 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1jex n GLU 38 Cb 0.54 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.99 3.71 -0.41 -0.32 2.46 0.79 -4.93 115.29 113.59 1jex s HIS 39 Ca 0.13 1.56 0.27 0.00 0.47 0.00 0.00 55.06 57.49 1jex s HIS 39 Cb 0.18 -2.95 0.89 0.00 -0.13 0.00 0.00 32.58 30.58 1jex s HIS 39 CO 0.61 0.15 1.77 -1.00 -2.47 0.00 0.00 174.74 173.80 1jex h PRO 40 N 6.13 0.00 0.00 2.88 0.13 -1.88 -3.36 132.00 135.90 1jex h PRO 40 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1jex h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 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 0.60 -3.06 0.00 1.56 0.00 -1.26 -5.03 105.19 98.00 1jex n GLY 41 Ca 0.03 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.59 0.99 0.00 -0.02 0.00 -1.26 -5.00 105.19 99.31 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 4.23 0.00 1.61 2.13 -1.26 -4.47 120.64 122.88 1jex n GLU 43 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 1jex n GLU 43 Cb 0.00 -0.63 0.01 0.00 0.27 0.00 0.00 31.44 31.09 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 -1.07 0.29 -0.11 5.31 0.00 -1.26 -4.38 120.64 119.42 1jex n GLU 44 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 57.16 56.43 1jex n GLU 44 Cb 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 31.44 30.28 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 0.03 1.39 -0.04 3.84 3.14 -1.26 -3.02 118.33 122.40 1jex n VAL 45 Ca 0.02 -0.76 -0.13 0.00 -2.96 0.00 0.00 64.34 60.51 1jex n VAL 45 Cb 0.08 -0.74 -0.08 0.00 -1.06 0.00 0.00 33.84 32.04 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 0.29 -0.48 6.55 3.38 -1.81 -3.13 115.31 120.11 1jex h LEU 46 Ca -0.55 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 56.80 1jex h LEU 46 Cb 2.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.77 1jex h LEU 46 CO -0.00 0.73 -0.62 0.08 0.09 0.00 0.00 178.44 178.71 1jex h ARG 47 N -0.14 0.00 -1.25 1.13 0.11 -1.78 -3.17 114.38 109.28 1jex h ARG 47 Ca 0.02 0.00 0.38 0.00 0.10 0.00 0.00 59.98 60.47 1jex h ARG 47 Cb 0.65 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.62 1jex h ARG 47 CO 0.03 0.62 0.82 1.49 0.10 0.00 0.00 179.97 183.03 1jex h GLU 48 N 0.00 0.17 -0.25 0.08 4.22 -1.48 1.32 114.58 118.65 1jex h GLU 48 Ca -0.01 -0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.30 1jex h GLU 48 Cb 1.26 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 1jex h GLU 48 CO 0.08 0.11 -0.21 1.04 -2.18 0.00 0.00 179.01 177.85 1jex n GLN 49 N -4.57 1.75 -2.87 1.92 1.13 -1.20 -4.82 117.38 108.73 1jex n GLN 49 Ca 0.32 -3.23 -0.42 0.00 -1.94 0.00 0.00 57.00 51.72 1jex n GLN 49 Cb 1.26 -1.76 0.01 0.00 0.11 0.00 0.00 30.24 29.86 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 -1.13 5.43 0.00 -1.58 0.00 0.45 -4.09 120.51 119.60 1jex n ALA 50 Ca 0.29 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 49.00 1jex n ALA 50 Cb 0.93 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 1.08 0.11 0.00 0.00 0.00 -1.26 -4.27 105.19 100.86 1jex n GLY 51 Ca 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.77 1.71 3.32 -0.02 0.00 -1.26 -4.52 105.19 103.64 1jex n GLY 52 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1jex n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jex s ASP 53 N 0.82 4.90 -0.04 1.61 -1.08 -1.26 -3.95 116.67 117.68 1jex s ASP 53 Ca 0.00 -0.68 0.16 0.00 -0.52 0.00 0.00 52.55 51.51 1jex s ASP 53 Cb 0.00 -1.83 -0.24 0.00 -1.46 0.00 0.00 42.92 39.39 1jex s ASP 53 CO 0.00 -0.15 0.31 0.00 0.52 0.00 0.00 175.17 175.85 1jex n ALA 54 N 4.82 2.47 0.22 3.66 0.00 -1.26 -4.36 120.51 126.07 1jex n ALA 54 Ca -0.15 -0.45 0.15 0.00 0.00 0.00 0.00 53.44 52.98 1jex n ALA 54 Cb 0.48 -0.49 0.62 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 0.09 0.15 0.00 1.03 -1.92 2.50 112.91 114.77 1jex h THR 55 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.06 1jex h THR 55 Cb 0.88 0.48 0.01 0.00 -1.07 0.00 0.00 68.15 68.45 1jex h THR 55 CO 0.00 0.00 -1.33 1.05 -0.01 0.00 0.00 175.52 175.24 1jex h GLU 56 N 0.00 0.32 0.00 0.00 4.11 -1.94 -2.18 114.58 114.88 1jex h GLU 56 Ca 0.09 -0.55 -0.24 0.00 0.07 0.00 0.00 59.36 58.74 1jex h GLU 56 Cb 1.23 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.64 1jex h GLU 56 CO -0.00 1.25 -1.58 0.09 0.07 0.00 0.00 179.01 178.85 1jex n ASN 57 N -3.56 0.87 -0.05 3.06 4.13 0.38 -2.98 115.26 117.10 1jex n ASN 57 Ca -0.11 0.40 -0.14 0.00 1.68 0.00 0.00 54.58 56.40 1jex n ASN 57 Cb 1.04 0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 39.29 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 0.00 1.03 0.00 3.10 3.57 0.36 -2.99 116.94 122.01 1jex h PHE 58 Ca -0.23 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 60.88 1jex h PHE 58 Cb 1.82 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1jex h PHE 58 CO 0.00 1.20 0.00 1.05 -2.23 0.00 0.00 178.31 178.33 1jex h GLU 59 N 0.60 0.00 -0.13 1.11 -0.00 -1.53 -3.30 114.58 111.33 1jex h GLU 59 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.41 1jex h GLU 59 Cb 1.20 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.89 1jex h GLU 59 CO 0.13 0.00 -0.29 0.22 -0.00 0.00 0.00 179.01 179.07 1jex h ASP 60 N 0.00 -0.90 0.37 3.06 3.58 -1.42 0.58 116.42 121.69 1jex h ASP 60 Ca 0.00 0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1jex h ASP 60 Cb 0.91 0.39 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1jex h ASP 60 CO 0.00 -0.34 0.00 1.62 -2.88 0.00 0.00 179.24 177.64 1jex h VAL 61 N -0.36 0.00 -3.85 2.25 3.04 -1.66 -3.47 116.25 112.20 1jex h VAL 61 Ca 0.10 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 1jex h VAL 61 Cb 0.51 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1jex h VAL 61 CO -0.33 0.00 -0.16 0.61 -1.01 0.00 0.00 177.57 176.67 1jex n GLY 62 N -0.69 -0.89 3.73 3.17 0.00 0.20 -4.99 105.19 105.73 1jex n GLY 62 Ca -0.01 0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.79 3.71 0.54 1.61 3.76 -1.26 -5.03 115.29 116.83 1jex s HIS 63 Ca 0.08 1.70 -0.14 0.00 -0.15 0.00 0.00 55.06 56.55 1jex s HIS 63 Cb -0.02 -3.17 -0.06 0.00 1.11 0.00 0.00 32.58 30.44 1jex s HIS 63 CO 0.28 -0.21 0.99 0.45 -0.85 0.00 0.00 174.74 175.40 1jex s SER 64 N -0.12 6.48 0.50 1.40 0.15 -1.26 -4.89 113.70 115.96 1jex s SER 64 Ca 0.48 1.49 0.18 0.00 0.70 0.00 0.00 55.95 58.80 1jex s SER 64 Cb -0.27 -2.48 0.96 0.00 -1.71 0.00 0.00 66.02 62.52 1jex s SER 64 CO 0.32 -0.67 1.48 0.74 1.20 0.00 0.00 173.24 176.32 1jex h THR 65 N 0.51 0.00 0.00 6.45 2.02 -2.03 1.09 112.91 120.94 1jex h THR 65 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1jex h THR 65 Cb 1.19 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1jex h THR 65 CO 0.62 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.98 1jex n ASP 66 N -2.41 0.00 0.08 4.18 9.92 -1.26 -1.38 116.55 125.68 1jex n ASP 66 Ca -0.01 0.48 -0.11 0.00 -0.53 0.00 0.00 54.79 54.62 1jex n ASP 66 Cb 0.44 -0.49 -0.05 0.00 -0.64 0.00 0.00 41.12 40.38 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 0.00 1.48 -0.92 2.53 3.04 0.90 -3.21 116.25 120.08 1jex h VAL 67 Ca 0.00 -2.71 0.11 0.00 -1.01 0.00 0.00 66.70 63.09 1jex h VAL 67 Cb 0.17 2.57 -0.08 0.00 -2.01 0.00 0.00 31.29 31.95 1jex h VAL 67 CO 0.00 0.79 0.55 -0.09 -1.01 0.00 0.00 177.57 177.81 1jex h ARG 68 N 0.13 0.85 -0.16 4.17 2.43 -1.39 0.23 114.38 120.64 1jex h ARG 68 Ca -0.07 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1jex h ARG 68 Cb 1.63 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1jex h ARG 68 CO 0.16 0.56 0.11 1.05 -1.51 0.00 0.00 179.97 180.34 1jex h GLU 69 N 0.88 0.17 -0.12 0.20 4.11 -1.67 -1.82 114.58 116.34 1jex h GLU 69 Ca 0.46 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.80 1jex h GLU 69 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jex h GLU 69 CO -0.27 0.12 -0.23 -0.07 0.07 0.00 0.00 179.01 178.63 1jex h LEU 70 N 0.18 0.40 -7.14 3.06 -0.00 -0.67 -3.35 115.31 107.79 1jex h LEU 70 Ca 0.06 -0.56 -0.72 0.00 -0.00 0.00 0.00 57.88 56.67 1jex h LEU 70 Cb 0.03 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 40.47 1jex h LEU 70 CO -0.01 0.88 2.17 -1.54 -0.00 0.00 0.00 178.44 179.94 1jex n SER 71 N -4.49 4.80 -0.01 -0.43 3.41 -0.65 -4.37 113.62 111.88 1jex n SER 71 Ca -0.07 -2.95 -0.02 0.00 -0.26 0.00 0.00 58.87 55.57 1jex n SER 71 Cb 0.43 -1.63 -0.01 0.00 -0.26 0.00 0.00 64.21 62.74 1jex n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jex n LYS 72 N 6.34 0.05 -0.00 4.33 3.00 -1.25 -4.79 118.16 125.84 1jex n LYS 72 Ca 0.45 0.02 0.11 0.00 -0.00 0.00 0.00 58.31 58.89 1jex n LYS 72 Cb 0.42 -0.58 -0.16 0.00 0.00 0.00 0.00 35.03 34.71 1jex n LYS 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1jex n THR 73 N -3.14 0.07 -0.77 3.15 5.66 -1.26 -4.34 114.28 113.64 1jex n THR 73 Ca -0.04 -0.51 -0.11 0.00 -3.05 0.00 0.00 64.05 60.34 1jex n THR 73 Cb 0.49 -0.03 0.02 0.00 -1.55 0.00 0.00 70.33 69.26 1jex n THR 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1jex n TYR 74 N -2.30 0.98 -4.20 1.09 4.01 -1.26 -4.87 117.16 110.61 1jex n TYR 74 Ca -0.04 -1.62 -0.27 0.00 -0.16 0.00 0.00 57.90 55.81 1jex n TYR 74 Cb 0.58 -0.82 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 1jex n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1jex s ILE 75 N -1.43 3.75 0.00 -0.72 -1.09 -1.26 0.10 121.20 120.55 1jex s ILE 75 Ca 0.21 -1.38 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1jex s ILE 75 Cb 0.16 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 1jex s ILE 75 CO -0.01 -0.09 0.00 2.30 -1.23 0.00 0.00 174.94 175.91 1jex n ILE 76 N -0.07 0.00 0.00 2.92 -5.35 -1.21 -4.55 119.36 111.11 1jex n ILE 76 Ca -0.10 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1jex n ILE 76 Cb 0.55 -0.64 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 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 3.11 -0.04 3.54 3.28 0.00 -1.19 -4.79 105.19 109.09 1jex n GLY 77 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.46 1.01 1.61 -1.05 -1.26 -2.98 118.70 116.49 1jex s GLU 78 Ca 0.00 1.15 -0.11 0.00 -0.15 0.00 0.00 54.97 55.86 1jex s GLU 78 Cb 0.00 0.69 0.18 0.00 -0.44 0.00 0.00 34.13 34.56 1jex s GLU 78 CO 0.00 -0.17 1.00 1.47 0.95 0.00 0.00 175.26 178.51 1jex n LEU 79 N 5.26 1.40 -4.35 1.83 -0.00 -1.26 -4.13 117.00 115.76 1jex n LEU 79 Ca -0.11 0.22 -0.45 0.00 -0.00 0.00 0.00 56.01 55.68 1jex n LEU 79 Cb 0.50 -1.37 -0.02 0.00 -0.00 0.00 0.00 43.42 42.54 1jex n LEU 79 CO -0.04 -2.66 -0.22 1.57 -0.00 0.00 0.00 177.39 176.04 1jex n HIS 80 N -4.42 -1.28 0.06 1.47 -0.00 -0.13 -4.75 115.22 106.17 1jex n HIS 80 Ca 0.08 0.79 -0.12 0.00 -0.00 0.00 0.00 57.72 58.48 1jex n HIS 80 Cb 0.53 -1.87 -0.02 0.00 -0.00 0.00 0.00 29.99 28.63 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 0.41 -0.30 1.57 0.13 -1.88 -0.27 132.00 132.33 1jex h PRO 81 Ca -0.33 -0.40 -0.17 0.00 -0.87 0.00 0.00 66.00 64.24 1jex h PRO 81 Cb 1.44 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.67 1jex h PRO 81 CO 0.52 1.06 -0.48 -0.44 -0.23 0.00 0.00 178.00 178.43 1jex h ASP 82 N 0.25 0.90 1.61 1.44 3.32 -1.98 -2.56 116.42 119.39 1jex h ASP 82 Ca -0.06 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1jex h ASP 82 Cb 1.48 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1jex h ASP 82 CO 0.15 1.22 -0.05 0.44 -1.72 0.00 0.00 179.24 179.28 1jex h ASP 83 N 0.65 0.00 0.48 6.45 5.19 -1.91 -2.75 116.42 124.53 1jex h ASP 83 Ca 0.03 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.30 1jex h ASP 83 Cb 1.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1jex h ASP 83 CO 0.11 0.05 -0.61 -0.09 -3.12 0.00 0.00 179.24 175.57 1jex h ARG 84 N 0.00 0.13 -0.01 3.56 1.12 -0.67 -2.65 114.38 115.86 1jex h ARG 84 Ca -0.00 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1jex h ARG 84 Cb 0.87 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.84 1jex h ARG 84 CO 0.01 0.70 -0.28 0.45 -3.11 0.00 0.00 179.97 177.74 1jex n SER 85 N -3.84 1.11 0.10 -3.80 2.88 -1.00 -3.81 113.62 105.25 1jex n SER 85 Ca -0.02 -0.94 -0.18 0.00 -1.33 0.00 0.00 58.87 56.40 1jex n SER 85 Cb 0.62 0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 64.13 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 1.29 0.43 0.00 -1.46 1.79 -1.18 -3.02 116.57 114.43 1jex h LYS 86 Ca 0.00 -0.62 0.00 0.00 -2.18 0.00 0.00 60.65 57.85 1jex h LYS 86 Cb 0.53 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1jex h LYS 86 CO 0.00 1.26 0.00 0.82 -1.08 0.00 0.00 179.45 180.45 1jex h ILE 87 N 0.18 0.00 0.00 1.86 2.04 -1.64 -3.51 117.51 116.43 1jex h ILE 87 Ca -0.15 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jex h ILE 87 Cb 1.89 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1jex h ILE 87 CO 0.21 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.36