#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khe n GLY 2 N 0.00 1.11 3.93 3.03 0.00 -1.26 -4.63 105.19 107.36 2khe n GLY 2 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 2khe n GLY 2 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2khe s TYR 3 N 0.00 3.49 0.28 1.61 1.51 -1.26 -4.96 117.35 118.02 2khe s TYR 3 Ca 0.00 0.28 -0.15 0.00 -1.01 0.00 0.00 57.07 56.19 2khe s TYR 3 Cb 0.00 -1.79 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 2khe s TYR 3 CO 0.00 0.48 0.70 0.50 -1.11 0.00 0.00 175.55 176.12 2khe s ARG 4 N -3.00 4.02 -0.39 -0.62 6.06 -0.97 -4.88 118.95 119.17 2khe s ARG 4 Ca 0.37 0.64 -0.13 0.00 -2.50 0.00 0.00 55.73 54.11 2khe s ARG 4 Cb -0.12 -2.56 0.02 0.00 0.06 0.00 0.00 34.95 32.35 2khe s ARG 4 CO 0.28 0.24 0.25 0.42 -2.50 0.00 0.00 175.30 173.99 2khe s ILE 5 N -1.85 4.98 0.12 4.11 -1.09 -1.26 -0.77 121.20 125.44 2khe s ILE 5 Ca 0.50 -0.68 0.09 0.00 -2.23 0.00 0.00 60.65 58.33 2khe s ILE 5 Cb -0.12 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 2khe s ILE 5 CO 0.19 -0.24 -0.22 -1.61 -1.23 0.00 0.00 174.94 171.83 2khe s GLU 6 N 1.63 1.21 -0.04 2.79 0.41 0.51 -5.00 118.70 120.22 2khe s GLU 6 Ca 0.04 -1.25 0.01 0.00 -0.41 0.00 0.00 54.97 53.36 2khe s GLU 6 Cb -0.19 -1.49 0.02 0.00 -1.78 0.00 0.00 34.13 30.69 2khe s GLU 6 CO 0.09 0.34 -0.05 -0.06 -0.49 0.00 0.00 175.26 175.09 2khe s PHE 7 N -1.30 0.71 0.84 1.61 0.40 -1.26 -1.77 117.98 117.20 2khe s PHE 7 Ca 0.10 -0.19 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 2khe s PHE 7 Cb -0.09 -0.62 0.09 0.00 0.51 0.00 0.00 43.02 42.91 2khe s PHE 7 CO 0.05 -0.16 1.10 -0.51 0.70 0.00 0.00 175.22 176.39 2khe s ASP 8 N 0.77 3.92 0.00 1.36 1.11 -0.97 -4.85 116.67 118.02 2khe s ASP 8 Ca -0.10 1.77 0.14 0.00 0.18 0.00 0.00 52.55 54.54 2khe s ASP 8 Cb -0.13 -2.42 0.67 0.00 1.07 0.00 0.00 42.92 42.10 2khe s ASP 8 CO 0.00 -2.40 1.44 -0.81 1.18 0.00 0.00 175.17 174.58 2khe n PRO 9 N -3.75 0.09 -0.12 8.23 -0.04 -1.26 -2.15 135.00 136.00 2khe n PRO 9 Ca 0.09 0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.51 2khe n PRO 9 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 2khe n PRO 9 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2khe n ARG 10 N -1.41 0.57 -0.18 0.54 1.74 -1.26 -4.42 116.66 112.25 2khe n ARG 10 Ca 0.05 0.40 -0.08 0.00 -0.77 0.00 0.00 57.85 57.45 2khe n ARG 10 Cb 0.15 -1.60 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2khe n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2khe h ALA 11 N -0.80 0.66 -0.97 7.54 0.00 -1.66 -2.35 119.26 121.68 2khe h ALA 11 Ca -0.50 -0.13 0.28 0.00 0.00 0.00 0.00 54.91 54.57 2khe h ALA 11 Cb 1.41 -0.20 -0.18 0.00 0.00 0.00 0.00 17.79 18.82 2khe h ALA 11 CO -0.30 0.23 0.09 1.49 0.00 0.00 0.00 179.25 180.76 2khe h GLU 12 N 0.69 0.02 0.06 0.00 4.22 -1.66 0.53 114.58 118.45 2khe h GLU 12 Ca 0.18 -0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.39 2khe h GLU 12 Cb 0.13 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.39 2khe h GLU 12 CO -0.02 0.02 -0.91 0.87 -2.18 0.00 0.00 179.01 176.78 2khe h LYS 13 N 0.03 0.51 -0.04 1.92 1.79 -1.72 -1.96 116.57 117.10 2khe h LYS 13 Ca 0.61 -0.63 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2khe h LYS 13 Cb 1.30 0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 32.15 2khe h LYS 13 CO -0.88 1.25 0.05 0.93 -1.08 0.00 0.00 179.45 179.72 2khe h GLU 14 N 0.05 0.00 0.00 3.15 5.08 0.14 -1.60 114.58 121.40 2khe h GLU 14 Ca -0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2khe h GLU 14 Cb 1.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 2khe h GLU 14 CO 0.18 0.00 -0.82 1.25 -1.00 0.00 0.00 179.01 178.62 2khe h LEU 15 N 0.00 0.00 -1.19 1.33 6.46 -0.15 -3.35 115.31 118.40 2khe h LEU 15 Ca 0.02 -0.23 0.27 0.00 -0.12 0.00 0.00 57.88 57.82 2khe h LEU 15 Cb 0.12 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 39.94 2khe h LEU 15 CO -0.00 1.07 0.64 1.05 -0.62 0.00 0.00 178.44 180.58 2khe h GLU 16 N -1.00 0.44 -0.47 1.25 4.11 -1.20 0.56 114.58 118.27 2khe h GLU 16 Ca -0.15 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.25 2khe h GLU 16 Cb 0.85 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2khe h GLU 16 CO -0.09 0.29 0.27 1.57 0.07 0.00 0.00 179.01 181.12 2khe h LYS 17 N 0.45 0.63 -6.97 1.06 5.09 -1.47 -3.44 116.57 111.92 2khe h LYS 17 Ca 0.64 -0.05 -0.40 0.00 0.09 0.00 0.00 60.65 60.92 2khe h LYS 17 Cb 1.46 -0.13 0.22 0.00 0.10 0.00 0.00 32.23 33.88 2khe h LYS 17 CO -0.40 0.45 -0.19 1.28 -2.09 0.00 0.00 179.45 178.50 2khe n LEU 18 N -4.43 -1.44 -4.67 7.07 4.77 0.20 -4.82 117.00 113.67 2khe n LEU 18 Ca 0.04 -0.43 -0.48 0.00 -0.03 0.00 0.00 56.01 55.10 2khe n LEU 18 Cb 0.08 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.01 2khe n LEU 18 CO 0.36 -3.77 1.33 -0.67 -1.33 0.00 0.00 177.39 173.31 2khe n ASP 19 N -4.83 3.13 -0.32 -1.43 2.03 -1.26 -4.72 116.55 109.15 2khe n ASP 19 Ca 0.06 1.03 -0.03 0.00 0.52 0.00 0.00 54.79 56.37 2khe n ASP 19 Cb 0.56 -1.37 0.01 0.00 -0.72 0.00 0.00 41.12 39.60 2khe n ASP 19 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2khe n ARG 20 N 5.06 -0.23 0.02 -0.67 5.12 -1.26 0.37 116.66 125.07 2khe n ARG 20 Ca 0.20 1.24 -0.10 0.00 -1.93 0.00 0.00 57.85 57.26 2khe n ARG 20 Cb 0.27 -1.84 -0.04 0.00 -1.16 0.00 0.00 32.46 29.70 2khe n ARG 20 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2khe h GLU 21 N 0.00 -0.30 -0.21 5.56 4.81 -1.99 -2.25 114.58 120.21 2khe h GLU 21 Ca 0.24 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 2khe h GLU 21 Cb 0.45 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 2khe h GLU 21 CO -0.79 -0.20 -0.30 0.28 -0.73 0.00 0.00 179.01 177.26 2khe h VAL 22 N -0.31 0.30 -0.53 0.32 2.07 -0.43 0.33 116.25 117.99 2khe h VAL 22 Ca 0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.70 2khe h VAL 22 Cb 0.43 0.30 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 2khe h VAL 22 CO -0.25 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 177.06 2khe h ALA 23 N 0.57 0.05 -0.75 1.67 0.00 -0.69 0.17 119.26 120.27 2khe h ALA 23 Ca 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2khe h ALA 23 Cb 0.53 0.66 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2khe h ALA 23 CO -0.40 -0.62 0.44 -0.09 0.00 0.00 0.00 179.25 178.59 2khe h ARG 24 N -0.15 1.02 -0.55 0.00 2.43 -0.80 -2.04 114.38 114.29 2khe h ARG 24 Ca 0.23 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 2khe h ARG 24 Cb 0.52 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2khe h ARG 24 CO -0.62 0.72 0.11 -0.09 -1.51 0.00 0.00 179.97 178.59 2khe h ARG 25 N 1.03 0.86 0.47 0.20 2.43 0.13 -2.07 114.38 117.43 2khe h ARG 25 Ca 0.27 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2khe h ARG 25 Cb -0.03 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2khe h ARG 25 CO -0.05 0.79 -0.23 0.82 -1.51 0.00 0.00 179.97 179.79 2khe h ILE 26 N 0.82 0.00 -0.18 1.20 2.04 -0.15 -1.84 117.51 119.40 2khe h ILE 26 Ca 0.18 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2khe h ILE 26 Cb 0.33 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 2khe h ILE 26 CO 0.00 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.62 2khe h LEU 27 N -0.86 -1.49 -0.71 1.44 3.38 -1.45 -1.18 115.31 114.45 2khe h LEU 27 Ca -0.06 0.18 0.15 0.00 0.09 0.00 0.00 57.88 58.24 2khe h LEU 27 Cb 0.48 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.70 2khe h LEU 27 CO 0.11 -0.39 -0.00 -0.09 0.09 0.00 0.00 178.44 178.16 2khe h ARG 28 N -0.45 0.10 -0.96 1.13 2.43 -1.49 0.42 114.38 115.57 2khe h ARG 28 Ca 0.04 -0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.38 2khe h ARG 28 Cb 0.55 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 2khe h ARG 28 CO -0.40 0.07 0.61 0.35 -1.51 0.00 0.00 179.97 179.08 2khe h PHE 29 N 0.11 0.87 0.00 2.20 3.57 -0.35 1.08 116.94 124.41 2khe h PHE 29 Ca 0.38 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.87 2khe h PHE 29 Cb 0.64 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2khe h PHE 29 CO -0.41 0.24 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.22 2khe h LEU 30 N 0.66 0.00 0.00 0.59 3.38 0.48 -1.74 115.31 118.68 2khe h LEU 30 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 2khe h LEU 30 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2khe h LEU 30 CO -0.27 0.13 -0.74 0.03 0.09 0.00 0.00 178.44 177.68 2khe h ARG 31 N 0.00 0.00 0.00 1.13 3.08 0.28 -2.68 114.38 116.18 2khe h ARG 31 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2khe h ARG 31 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2khe h ARG 31 CO 0.01 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.30 2khe n GLU 32 N -2.12 0.00 0.00 0.04 1.02 0.34 -4.36 120.64 115.56 2khe n GLU 32 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2khe n GLU 32 Cb 0.45 -0.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 2khe n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2khe n ARG 33 N -2.09 0.00 0.00 3.49 5.12 -0.68 -0.11 116.66 122.40 2khe n ARG 33 Ca 0.00 0.46 0.21 0.00 -1.93 0.00 0.00 57.85 56.59 2khe n ARG 33 Cb 0.00 -1.32 0.71 0.00 -1.16 0.00 0.00 32.46 30.69 2khe n ARG 33 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2khe h VAL 34 N 0.00 0.66 -0.00 1.55 2.07 -1.64 0.59 116.25 119.47 2khe h VAL 34 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2khe h VAL 34 Cb 0.00 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2khe h VAL 34 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2khe h ALA 35 N 1.69 0.00 0.00 1.67 0.00 -1.11 -3.12 119.26 118.40 2khe h ALA 35 Ca 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2khe h ALA 35 Cb 1.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2khe h ALA 35 CO -0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 179.25 178.57 2khe h THR 36 N -0.27 0.28 -2.17 0.00 1.03 0.61 -3.42 112.91 108.96 2khe h THR 36 Ca 0.00 -1.40 -0.57 0.00 -0.01 0.00 0.00 66.41 64.43 2khe h THR 36 Cb 0.27 2.07 -0.01 0.00 -1.07 0.00 0.00 68.15 69.42 2khe h THR 36 CO 0.00 0.16 1.43 -0.76 -0.01 0.00 0.00 175.52 176.34 2khe s LEU 37 N -6.17 3.45 0.39 0.00 1.43 0.19 -4.82 118.68 113.14 2khe s LEU 37 Ca 0.05 1.52 0.24 0.00 -1.03 0.00 0.00 54.13 54.91 2khe s LEU 37 Cb 0.06 -3.34 1.39 0.00 0.03 0.00 0.00 46.19 44.33 2khe s LEU 37 CO 0.71 -2.01 1.58 -0.08 0.23 0.00 0.00 176.35 176.78 2khe h GLU 38 N 14.87 0.01 -5.24 1.70 4.81 -1.86 -3.38 114.58 125.49 2khe h GLU 38 Ca -0.36 -0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.42 2khe h GLU 38 Cb 1.21 -0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.32 2khe h GLU 38 CO 1.02 0.01 -0.80 -0.51 -0.73 0.00 0.00 179.01 178.00 2khe s ASP 39 N -4.46 1.59 0.51 1.04 1.01 -1.26 -4.81 116.67 110.29 2khe s ASP 39 Ca -0.09 -0.34 0.30 0.00 0.71 0.00 0.00 52.55 53.13 2khe s ASP 39 Cb 0.33 -0.14 1.24 0.00 1.01 0.00 0.00 42.92 45.36 2khe s ASP 39 CO 0.79 0.10 1.95 1.55 0.21 0.00 0.00 175.17 179.77 2khe h PRO 40 N 5.40 0.00 0.00 8.23 0.13 -1.87 -2.77 132.00 141.12 2khe h PRO 40 Ca -0.36 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.71 2khe h PRO 40 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2khe h PRO 40 CO 0.47 0.10 -0.32 0.00 -0.23 0.00 0.00 178.00 178.02 2khe h ARG 41 N 0.00 0.00 -0.87 0.86 3.08 -1.95 -3.23 114.38 112.26 2khe h ARG 41 Ca -0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2khe h ARG 41 Cb 0.56 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.46 2khe h ARG 41 CO 0.01 0.32 -0.29 1.03 -1.07 0.00 0.00 179.97 179.97 2khe h SER 42 N 0.00 -1.05 -3.82 7.04 0.87 -1.89 -3.38 113.55 111.32 2khe h SER 42 Ca -0.00 0.27 -0.69 0.00 -1.23 0.00 0.00 61.79 60.14 2khe h SER 42 Cb 0.76 0.61 -0.21 0.00 -0.44 0.00 0.00 62.40 63.12 2khe h SER 42 CO 0.04 -0.29 -0.73 -0.76 -0.53 0.00 0.00 176.83 174.56 2khe s LEU 43 N -11.02 2.97 0.00 2.23 1.43 -1.22 -5.05 118.68 108.02 2khe s LEU 43 Ca -0.14 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2khe s LEU 43 Cb 0.22 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.81 2khe s LEU 43 CO 0.74 0.35 0.00 0.61 0.23 0.00 0.00 176.35 178.28 2khe n GLY 44 N 2.30 1.17 3.21 -3.19 0.00 -1.26 -4.80 105.19 102.62 2khe n GLY 44 Ca -0.18 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.30 2khe n GLY 44 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2khe s GLU 45 N -1.22 1.95 0.76 1.61 2.12 0.16 -4.94 118.70 119.14 2khe s GLU 45 Ca 0.00 -0.75 -0.11 0.00 0.36 0.00 0.00 54.97 54.47 2khe s GLU 45 Cb 0.00 -1.76 0.05 0.00 0.26 0.00 0.00 34.13 32.68 2khe s GLU 45 CO 0.00 0.38 1.09 -1.25 -0.54 0.00 0.00 175.26 174.94 2khe s PRO 46 N -0.26 2.30 0.49 4.30 0.04 -1.26 -2.08 135.00 138.53 2khe s PRO 46 Ca 0.02 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 2khe s PRO 46 Cb -0.11 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2khe s PRO 46 CO 0.01 -1.61 0.73 -0.51 0.04 0.00 0.00 177.00 175.67 2khe s LEU 47 N -5.82 3.53 -0.10 -3.56 2.01 -1.25 -4.90 118.68 108.59 2khe s LEU 47 Ca 0.62 0.38 -0.01 0.00 0.01 0.00 0.00 54.13 55.12 2khe s LEU 47 Cb -0.17 -3.25 0.03 0.00 0.01 0.00 0.00 46.19 42.81 2khe s LEU 47 CO 0.55 -0.81 -0.01 -0.13 1.01 0.00 0.00 176.35 176.96 2khe s ARG 48 N -4.67 0.80 0.00 1.70 1.81 -1.26 -4.80 118.95 112.52 2khe s ARG 48 Ca 0.50 -0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.47 2khe s ARG 48 Cb -0.10 -1.25 0.00 0.00 -0.45 0.00 0.00 34.95 33.14 2khe s ARG 48 CO 0.40 -0.34 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 2khe n GLY 49 N 5.09 2.08 0.26 -3.53 0.00 -1.20 -4.95 105.19 102.94 2khe n GLY 49 Ca -0.08 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.68 2khe n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2khe h PRO 50 N 0.00 0.00 0.00 1.61 0.13 -2.05 -3.35 132.00 128.35 2khe h PRO 50 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2khe h PRO 50 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2khe h PRO 50 CO 0.00 0.10 -1.12 0.39 -0.23 0.00 0.00 178.00 177.14 2khe n GLU 51 N -3.27 0.50 -3.44 0.86 4.71 -1.26 -5.02 120.64 113.72 2khe n GLU 51 Ca 0.00 0.20 -0.25 0.00 -0.01 0.00 0.00 57.16 57.10 2khe n GLU 51 Cb 0.34 -1.37 -0.02 0.00 -1.01 0.00 0.00 31.44 29.39 2khe n GLU 51 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 2khe s LEU 52 N -7.78 4.06 0.00 -4.62 0.05 -1.26 -4.92 118.68 104.22 2khe s LEU 52 Ca -0.28 0.47 0.00 0.00 0.05 0.00 0.00 54.13 54.37 2khe s LEU 52 Cb 0.05 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.88 2khe s LEU 52 CO 0.40 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.58 2khe n GLY 53 N -1.46 0.02 0.15 -3.48 0.00 -1.26 -3.21 105.19 95.95 2khe n GLY 53 Ca -0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2khe n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2khe h ARG 54 N 0.00 -0.03 -5.13 1.61 2.47 -1.92 -3.31 114.38 108.07 2khe h ARG 54 Ca 0.00 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 2khe h ARG 54 Cb 0.00 0.01 0.09 0.00 -1.65 0.00 0.00 29.97 28.42 2khe h ARG 54 CO 0.00 -0.02 -0.40 1.19 0.56 0.00 0.00 179.97 181.30 2khe n PHE 55 N -5.26 -0.32 -4.94 3.04 3.01 -1.26 -4.66 117.46 107.06 2khe n PHE 55 Ca -0.00 0.84 -0.28 0.00 1.01 0.00 0.00 57.45 59.01 2khe n PHE 55 Cb 0.18 -1.69 -0.17 0.00 -0.01 0.00 0.00 39.48 37.80 2khe n PHE 55 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 2khe s TRP 56 N -0.77 2.01 0.07 1.38 -0.11 -0.50 -3.76 118.94 117.26 2khe s TRP 56 Ca 0.57 -0.72 0.02 0.00 1.22 0.00 0.00 56.10 57.19 2khe s TRP 56 Cb -0.83 -1.37 -0.04 0.00 -1.50 0.00 0.00 33.47 29.74 2khe s TRP 56 CO 0.48 -0.29 0.12 0.15 -4.62 0.00 0.00 176.95 172.79 2khe s LYS 57 N 0.30 3.06 0.00 5.86 1.02 -0.88 -1.10 119.74 128.00 2khe s LYS 57 Ca -0.12 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.34 2khe s LYS 57 Cb -0.15 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2khe s LYS 57 CO 0.05 0.58 -0.23 0.71 -0.92 0.00 0.00 175.35 175.54 2khe s TYR 58 N -1.42 2.03 -0.15 3.18 1.51 0.98 0.39 117.35 123.87 2khe s TYR 58 Ca 0.31 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.92 2khe s TYR 58 Cb -0.12 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.40 2khe s TYR 58 CO 0.24 0.01 0.07 0.50 -1.11 0.00 0.00 175.55 175.25 2khe s ARG 59 N -0.74 3.70 -0.47 -0.62 3.00 -1.26 -1.37 118.95 121.19 2khe s ARG 59 Ca 0.09 -0.31 0.03 0.00 -1.00 0.00 0.00 55.73 54.54 2khe s ARG 59 Cb -0.09 -3.14 0.14 0.00 0.00 0.00 0.00 34.95 31.87 2khe s ARG 59 CO -0.00 0.45 0.28 0.08 0.00 0.00 0.00 175.30 176.12 2khe s VAL 60 N -0.14 1.50 0.00 7.11 1.01 0.11 -4.95 120.40 125.03 2khe s VAL 60 Ca 0.07 -2.79 0.00 0.00 0.00 0.00 0.00 61.98 59.26 2khe s VAL 60 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2khe s VAL 60 CO 0.01 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.78 2khe n GLY 61 N 3.27 0.25 2.12 4.51 0.00 -1.26 -0.62 105.19 113.46 2khe n GLY 61 Ca 0.12 0.63 -0.06 0.00 0.00 0.00 0.00 46.02 46.72 2khe n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2khe n ASP 62 N 1.11 2.46 -3.79 1.61 9.92 -1.26 -5.04 116.55 121.56 2khe n ASP 62 Ca 0.00 -2.73 -0.13 0.00 -0.53 0.00 0.00 54.79 51.40 2khe n ASP 62 Cb 0.00 -0.41 -0.13 0.00 -0.64 0.00 0.00 41.12 39.93 2khe n ASP 62 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2khe s TYR 63 N -3.04 -0.17 -0.13 1.24 1.51 0.21 -2.21 117.35 114.76 2khe s TYR 63 Ca 0.36 0.45 -0.04 0.00 -1.01 0.00 0.00 57.07 56.83 2khe s TYR 63 Cb 0.36 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 42.19 2khe s TYR 63 CO -0.04 -0.12 0.03 1.03 -1.11 0.00 0.00 175.55 175.34 2khe s ARG 64 N 0.52 3.44 -0.04 -0.62 1.81 0.20 -0.71 118.95 123.54 2khe s ARG 64 Ca -0.04 -0.38 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 2khe s ARG 64 Cb -0.05 -2.98 0.01 0.00 -0.45 0.00 0.00 34.95 31.48 2khe s ARG 64 CO -0.02 0.51 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.48 2khe s LEU 65 N -0.33 1.75 -0.41 2.53 1.43 -0.47 -2.16 118.68 121.02 2khe s LEU 65 Ca 0.08 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 2khe s LEU 65 Cb -0.12 -0.75 0.10 0.00 0.03 0.00 0.00 46.19 45.45 2khe s LEU 65 CO 0.02 0.07 0.21 -0.63 0.23 0.00 0.00 176.35 176.25 2khe s ILE 66 N 0.35 3.63 0.37 -0.59 1.09 -0.87 -0.02 121.20 125.16 2khe s ILE 66 Ca -0.08 -1.76 0.08 0.00 -1.10 0.00 0.00 60.65 57.79 2khe s ILE 66 Cb -0.12 -3.35 -0.02 0.00 -1.06 0.00 0.00 42.46 37.91 2khe s ILE 66 CO 0.02 -0.58 0.35 0.00 -0.10 0.00 0.00 174.94 174.63 2khe s HIS 68 N -2.37 2.47 -0.32 0.00 2.46 0.18 -1.41 115.29 116.30 2khe s HIS 68 Ca 0.45 -1.69 -0.27 0.00 0.47 0.00 0.00 55.06 54.02 2khe s HIS 68 Cb -0.05 -1.64 0.01 0.00 -0.13 0.00 0.00 32.58 30.77 2khe s HIS 68 CO 0.28 -0.76 0.97 0.42 -2.47 0.00 0.00 174.74 173.18 2khe s ILE 69 N 1.38 4.61 -0.76 0.89 1.01 -1.26 -1.76 121.20 125.30 2khe s ILE 69 Ca -0.03 1.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.99 2khe s ILE 69 Cb -0.17 -4.32 0.18 0.00 0.01 0.00 0.00 42.46 38.16 2khe s ILE 69 CO -0.07 -0.40 0.76 -1.10 0.00 0.00 0.00 174.94 174.12 2khe s GLN 70 N 3.40 3.43 0.30 2.79 1.11 -0.15 -4.87 119.66 125.67 2khe s GLN 70 Ca 0.41 -2.12 0.05 0.00 0.01 0.00 0.00 55.36 53.71 2khe s GLN 70 Cb -0.13 -4.45 0.70 0.00 -1.01 0.00 0.00 33.01 28.12 2khe s GLN 70 CO 0.14 -1.39 1.78 0.38 0.01 0.00 0.00 175.29 176.22 2khe h ASP 71 N 8.27 0.77 -0.87 5.90 3.04 -1.94 1.07 116.42 132.67 2khe h ASP 71 Ca -0.00 0.09 0.13 0.00 -3.24 0.00 0.00 57.03 54.01 2khe h ASP 71 Cb 1.05 -0.05 -0.14 0.00 -1.04 0.00 0.00 39.33 39.16 2khe h ASP 71 CO 0.89 0.29 -0.34 0.54 -2.04 0.00 0.00 179.24 178.58 2khe n ARG 72 N -4.76 -0.21 -0.76 4.15 1.74 -1.26 -1.83 116.66 113.73 2khe n ARG 72 Ca 0.22 1.34 0.05 0.00 -0.77 0.00 0.00 57.85 58.69 2khe n ARG 72 Cb 0.53 -1.98 0.12 0.00 -1.02 0.00 0.00 32.46 30.11 2khe n ARG 72 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2khe n GLU 73 N -5.27 0.87 -4.25 5.56 1.02 -0.83 -5.00 120.64 112.74 2khe n GLU 73 Ca 0.09 -2.51 -0.31 0.00 -0.02 0.00 0.00 57.16 54.41 2khe n GLU 73 Cb 0.35 -0.98 -0.09 0.00 -0.02 0.00 0.00 31.44 30.70 2khe n GLU 73 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2khe n ALA 74 N -0.56 -2.03 -3.35 0.62 0.00 0.36 -4.74 120.51 110.82 2khe n ALA 74 Ca 0.12 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 2khe n ALA 74 Cb 0.82 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 2khe n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2khe s THR 75 N -4.29 2.80 -0.08 0.00 2.01 -0.75 -2.28 115.64 113.06 2khe s THR 75 Ca 0.04 -0.73 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 2khe s THR 75 Cb -0.02 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2khe s THR 75 CO 0.97 0.51 0.40 -0.69 -0.69 0.00 0.00 174.62 175.12 2khe s VAL 76 N 0.72 5.16 -0.07 3.82 1.01 0.05 -0.97 120.40 130.12 2khe s VAL 76 Ca -0.06 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2khe s VAL 76 Cb -0.15 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2khe s VAL 76 CO 0.01 0.45 -0.06 -0.22 0.00 0.00 0.00 175.10 175.29 2khe s LEU 77 N -0.15 1.18 0.07 3.92 0.20 -0.72 -0.36 118.68 122.82 2khe s LEU 77 Ca 0.22 -0.20 -0.29 0.00 0.69 0.00 0.00 54.13 54.56 2khe s LEU 77 Cb -0.15 -0.62 -0.05 0.00 -0.43 0.00 0.00 46.19 44.94 2khe s LEU 77 CO 0.10 -0.09 0.92 -0.69 -0.29 0.00 0.00 176.35 176.30 2khe s VAL 78 N 1.31 4.63 -0.11 1.68 1.01 -0.73 0.49 120.40 128.70 2khe s VAL 78 Ca -0.04 1.97 -0.08 0.00 0.00 0.00 0.00 61.98 63.82 2khe s VAL 78 Cb -0.14 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 2khe s VAL 78 CO -0.03 0.29 -0.19 0.18 0.00 0.00 0.00 175.10 175.36 2khe n LEU 79 N 3.04 1.27 -4.46 3.92 4.77 -0.51 -2.30 117.00 122.73 2khe n LEU 79 Ca 0.02 0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.92 2khe n LEU 79 Cb 0.50 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2khe n LEU 79 CO 0.50 -0.03 -0.51 -0.13 -1.33 0.00 0.00 177.39 175.89 2khe s ARG 80 N -2.37 1.67 -0.21 3.23 1.81 -1.14 -3.89 118.95 118.06 2khe s ARG 80 Ca -0.19 -1.26 -0.05 0.00 -1.72 0.00 0.00 55.73 52.51 2khe s ARG 80 Cb 0.06 -2.03 0.11 0.00 -0.45 0.00 0.00 34.95 32.63 2khe s ARG 80 CO 0.25 0.46 0.36 0.54 -0.68 0.00 0.00 175.30 176.23 2khe s VAL 81 N -1.21 -0.57 0.12 3.52 0.11 -1.26 -2.06 120.40 119.05 2khe s VAL 81 Ca 0.18 0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.04 2khe s VAL 81 Cb -0.10 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.13 2khe s VAL 81 CO 0.09 -0.02 0.62 -0.83 -3.33 0.00 0.00 175.10 171.63 2khe s GLY 82 N 2.53 -0.61 0.86 6.54 0.00 -0.92 -4.67 107.32 111.05 2khe s GLY 82 Ca 0.06 0.66 -0.13 0.00 0.00 0.00 0.00 44.72 45.31 2khe s GLY 82 CO -0.13 0.33 0.96 1.57 0.00 0.00 0.00 173.10 175.83 2khe n HIS 83 N -0.11 0.41 -0.39 1.90 -0.00 -1.26 -0.63 115.22 115.14 2khe n HIS 83 Ca -0.17 0.37 -0.10 0.00 -0.00 0.00 0.00 57.72 57.81 2khe n HIS 83 Cb 0.63 -1.99 -0.08 0.00 -0.00 0.00 0.00 29.99 28.54 2khe n HIS 83 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2khe h ALA 84 N -1.25 -0.49 0.45 1.57 0.00 -1.72 0.23 119.26 118.04 2khe h ALA 84 Ca -0.45 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2khe h ALA 84 Cb 1.29 1.32 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2khe h ALA 84 CO 0.42 -0.94 -0.22 0.07 0.00 0.00 0.00 179.25 178.58 2khe h ARG 85 N -0.04 -0.59 -0.57 0.00 0.11 -1.90 -3.13 114.38 108.27 2khe h ARG 85 Ca 0.17 0.04 0.07 0.00 0.10 0.00 0.00 59.98 60.36 2khe h ARG 85 Cb 0.45 0.13 -0.10 0.00 1.11 0.00 0.00 29.97 31.56 2khe h ARG 85 CO -0.91 -0.39 -0.53 -0.44 0.10 0.00 0.00 179.97 177.80 2khe h ASP 86 N -0.61 -1.81 -3.12 0.08 5.19 -1.53 -3.39 116.42 111.23 2khe h ASP 86 Ca -0.06 0.26 -0.53 0.00 -0.62 0.00 0.00 57.03 56.08 2khe h ASP 86 Cb 0.47 0.78 0.01 0.00 0.18 0.00 0.00 39.33 40.77 2khe h ASP 86 CO 0.10 -0.35 0.63 -0.69 -3.12 0.00 0.00 179.24 175.81 2khe s VAL 87 N -5.68 3.70 -0.43 -1.35 1.01 0.69 -4.87 120.40 113.47 2khe s VAL 87 Ca -0.14 1.22 -0.40 0.00 0.00 0.00 0.00 61.98 62.67 2khe s VAL 87 Cb 0.10 -3.78 -0.17 0.00 0.00 0.00 0.00 36.38 32.53 2khe s VAL 87 CO 0.63 0.10 1.55 0.00 0.00 0.00 0.00 175.10 177.38 2khe n TYR 88 N 3.89 1.34 0.31 5.22 9.36 -1.26 -4.82 117.16 131.20 2khe n TYR 88 Ca 0.10 0.88 0.02 0.00 3.32 0.00 0.00 57.90 62.22 2khe n TYR 88 Cb 0.44 -1.94 0.15 0.00 -0.63 0.00 0.00 39.34 37.36 2khe n TYR 88 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97