#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 4.62 3.93 3.03 0.00 -1.26 -5.10 105.19 110.41 2khe n GLY 2 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.90 3.44 0.24 1.61 1.51 -1.26 -4.98 117.35 117.01 2khe s TYR 3 Ca 0.00 0.07 -0.10 0.00 -1.01 0.00 0.00 57.07 56.02 2khe s TYR 3 Cb 0.00 -1.62 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 2khe s TYR 3 CO 0.00 0.50 0.57 0.50 -1.11 0.00 0.00 175.55 176.01 2khe s ARG 4 N -3.42 3.82 -0.35 -0.62 3.52 -1.16 -4.89 118.95 115.85 2khe s ARG 4 Ca 0.34 0.32 -0.11 0.00 -0.13 0.00 0.00 55.73 56.15 2khe s ARG 4 Cb -0.10 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.67 2khe s ARG 4 CO 0.28 0.29 0.19 0.42 -0.81 0.00 0.00 175.30 175.68 2khe s ILE 5 N -1.84 4.70 0.19 4.11 -1.09 -1.26 -1.02 121.20 124.99 2khe s ILE 5 Ca 0.48 -0.60 0.09 0.00 -2.23 0.00 0.00 60.65 58.40 2khe s ILE 5 Cb -0.11 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2khe s ILE 5 CO 0.21 -0.09 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.03 2khe s GLU 6 N 1.60 1.39 -0.01 2.79 2.02 0.12 -5.02 118.70 121.60 2khe s GLU 6 Ca 0.04 -1.51 0.01 0.00 0.02 0.00 0.00 54.97 53.53 2khe s GLU 6 Cb -0.18 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.59 2khe s GLU 6 CO 0.07 0.29 -0.03 -0.06 0.02 0.00 0.00 175.26 175.54 2khe s PHE 7 N -2.19 0.34 0.77 1.61 0.40 -1.26 -0.60 117.98 117.06 2khe s PHE 7 Ca 0.20 -0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.35 2khe s PHE 7 Cb -0.05 -0.24 0.05 0.00 0.51 0.00 0.00 43.02 43.29 2khe s PHE 7 CO 0.08 -0.02 1.08 -0.51 0.70 0.00 0.00 175.22 176.56 2khe s ASP 8 N 0.02 4.70 0.16 1.36 1.01 -0.63 -4.86 116.67 118.43 2khe s ASP 8 Ca 0.00 1.48 0.20 0.00 0.71 0.00 0.00 52.55 54.94 2khe s ASP 8 Cb -0.03 -2.26 0.84 0.00 1.01 0.00 0.00 42.92 42.48 2khe s ASP 8 CO -0.00 -1.86 1.61 -0.81 0.21 0.00 0.00 175.17 174.32 2khe n PRO 9 N -3.38 0.12 -0.10 8.23 -0.04 -1.26 -1.99 135.00 136.58 2khe n PRO 9 Ca 0.07 0.36 -0.23 0.00 -0.04 0.00 0.00 63.50 63.66 2khe n PRO 9 Cb 0.55 -1.73 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.95 0.64 -0.06 0.54 5.12 -1.26 -4.39 116.66 115.29 2khe n ARG 10 Ca 0.03 0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 56.13 2khe n ARG 10 Cb 0.20 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 29.86 2khe n ARG 10 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2khe h ALA 11 N -0.40 0.25 -0.98 7.54 0.00 -1.62 -2.44 119.26 121.61 2khe h ALA 11 Ca -0.54 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 54.51 2khe h ALA 11 Cb 1.72 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 2khe h ALA 11 CO -0.19 -0.12 0.08 0.93 0.00 0.00 0.00 179.25 179.95 2khe h GLU 12 N 0.13 0.02 -0.04 0.00 5.08 -1.63 0.32 114.58 118.47 2khe h GLU 12 Ca 0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2khe h GLU 12 Cb 0.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2khe h GLU 12 CO -0.00 0.01 -0.13 0.87 -1.00 0.00 0.00 179.01 178.76 2khe h LYS 13 N 0.02 0.15 -0.51 2.33 1.79 -1.73 -1.47 116.57 117.16 2khe h LYS 13 Ca 0.61 -0.12 0.15 0.00 -2.18 0.00 0.00 60.65 59.11 2khe h LYS 13 Cb 1.29 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 2khe h LYS 13 CO -0.89 0.75 0.42 0.93 -1.08 0.00 0.00 179.45 179.58 2khe h GLU 14 N -0.42 0.00 0.00 3.15 4.39 -0.13 -1.14 114.58 120.43 2khe h GLU 14 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2khe h GLU 14 Cb 0.77 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2khe h GLU 14 CO 0.03 0.00 -0.30 1.25 -1.16 0.00 0.00 179.01 178.83 2khe h LEU 15 N 0.00 0.00 -1.25 1.33 5.85 -0.48 -3.32 115.31 117.43 2khe h LEU 15 Ca 0.24 -0.14 0.34 0.00 0.84 0.00 0.00 57.88 59.15 2khe h LEU 15 Cb 1.08 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.99 2khe h LEU 15 CO -0.00 0.73 0.69 1.05 -0.34 0.00 0.00 178.44 180.57 2khe h GLU 16 N -1.00 0.27 -0.81 1.25 4.11 -0.92 0.56 114.58 118.04 2khe h GLU 16 Ca -0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2khe h GLU 16 Cb 0.40 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2khe h GLU 16 CO -0.02 0.18 0.52 0.87 0.07 0.00 0.00 179.01 180.64 2khe h LYS 17 N 0.28 1.07 -6.21 1.06 1.57 -1.36 -3.44 116.57 109.54 2khe h LYS 17 Ca 0.71 -0.07 -0.25 0.00 -1.87 0.00 0.00 60.65 59.17 2khe h LYS 17 Cb 1.88 -0.24 0.14 0.00 0.08 0.00 0.00 32.23 34.10 2khe h LYS 17 CO -0.44 0.72 -0.23 1.28 -0.57 0.00 0.00 179.45 180.21 2khe n LEU 18 N -4.51 -1.14 -4.66 2.94 4.77 0.20 -4.81 117.00 109.79 2khe n LEU 18 Ca 0.08 -0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 55.16 2khe n LEU 18 Cb 0.03 -0.82 -0.03 0.00 -2.33 0.00 0.00 43.42 40.27 2khe n LEU 18 CO 0.36 -3.51 1.32 -0.62 -1.33 0.00 0.00 177.39 173.61 2khe s ASP 19 N -2.19 6.70 0.31 -1.43 -1.08 -1.26 -4.80 116.67 112.92 2khe s ASP 19 Ca 0.42 2.10 0.20 0.00 -0.52 0.00 0.00 52.55 54.75 2khe s ASP 19 Cb -0.08 -2.53 1.09 0.00 -1.46 0.00 0.00 42.92 39.95 2khe s ASP 19 CO 0.38 -0.92 1.22 -1.14 0.52 0.00 0.00 175.17 175.23 2khe n ARG 20 N 7.07 -0.04 0.09 4.34 3.00 -1.26 0.15 116.66 130.01 2khe n ARG 20 Ca 0.17 1.03 -0.13 0.00 -0.00 0.00 0.00 57.85 58.92 2khe n ARG 20 Cb 0.43 -1.92 -0.08 0.00 0.00 0.00 0.00 32.46 30.89 2khe n ARG 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2khe h GLU 21 N 0.00 -0.20 -0.06 -0.14 3.07 -1.99 -1.10 114.58 114.16 2khe h GLU 21 Ca 0.67 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.54 2khe h GLU 21 Cb 1.94 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.89 2khe h GLU 21 CO -0.50 0.09 0.03 0.28 -1.40 0.00 0.00 179.01 177.51 2khe h VAL 22 N -0.49 1.12 -0.31 3.13 2.07 0.98 -2.07 116.25 120.68 2khe h VAL 22 Ca -0.02 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2khe h VAL 22 Cb 0.38 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2khe h VAL 22 CO 0.03 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 2khe h ALA 23 N 0.88 0.27 -0.77 1.67 0.00 -0.89 -1.37 119.26 119.06 2khe h ALA 23 Ca 0.02 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2khe h ALA 23 Cb 0.14 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2khe h ALA 23 CO -0.00 -0.41 0.46 0.00 0.00 0.00 0.00 179.25 179.30 2khe h ARG 24 N 0.08 0.82 -0.41 0.00 3.08 -1.10 -2.12 114.38 114.73 2khe h ARG 24 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2khe h ARG 24 Cb 0.20 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 2khe h ARG 24 CO -0.25 0.54 0.27 -0.09 -1.07 0.00 0.00 179.97 179.37 2khe h ARG 25 N 0.85 0.54 0.61 0.04 2.43 -0.63 -1.73 114.38 116.49 2khe h ARG 25 Ca 0.34 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2khe h ARG 25 Cb 0.17 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2khe h ARG 25 CO -0.17 0.37 -0.48 0.82 -1.51 0.00 0.00 179.97 179.00 2khe h ILE 26 N 0.56 0.05 -0.15 1.20 2.04 -0.68 0.94 117.51 121.47 2khe h ILE 26 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 2khe h ILE 26 Cb -0.06 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.01 2khe h ILE 26 CO -0.03 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.63 2khe h LEU 27 N -1.06 -1.31 -0.96 1.44 3.38 -1.34 -0.57 115.31 114.89 2khe h LEU 27 Ca -0.08 0.18 0.14 0.00 0.09 0.00 0.00 57.88 58.21 2khe h LEU 27 Cb 0.89 0.54 -0.09 0.00 0.09 0.00 0.00 40.66 42.08 2khe h LEU 27 CO 0.01 -0.42 0.58 -0.09 0.09 0.00 0.00 178.44 178.60 2khe h ARG 28 N -0.48 0.82 -0.46 1.13 2.43 -1.23 0.39 114.38 116.98 2khe h ARG 28 Ca 0.08 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2khe h ARG 28 Cb 0.62 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2khe h ARG 28 CO -0.41 0.54 0.31 0.35 -1.51 0.00 0.00 179.97 179.25 2khe h PHE 29 N 0.84 0.55 0.00 2.20 3.57 0.71 0.87 116.94 125.69 2khe h PHE 29 Ca 0.51 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.98 2khe h PHE 29 Cb 0.63 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2khe h PHE 29 CO -0.03 0.34 -0.96 -0.07 -2.23 0.00 0.00 178.31 175.36 2khe h LEU 30 N 0.58 0.00 0.00 0.59 3.38 0.17 -2.21 115.31 117.82 2khe h LEU 30 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2khe h LEU 30 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2khe h LEU 30 CO -0.04 0.15 -0.95 0.54 0.09 0.00 0.00 178.44 178.23 2khe n ARG 31 N -2.80 0.47 0.00 1.13 1.74 0.11 -2.93 116.66 114.38 2khe n ARG 31 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2khe n ARG 31 Cb 0.62 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2khe n ARG 31 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2khe n GLU 32 N -2.38 0.00 0.00 5.56 -0.58 0.29 -4.32 120.64 119.21 2khe n GLU 32 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2khe n GLU 32 Cb 0.50 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 31.17 2khe n GLU 32 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2khe n ARG 33 N -2.16 0.00 0.07 3.49 5.12 -0.86 -0.04 116.66 122.28 2khe n ARG 33 Ca 0.00 0.49 0.21 0.00 -1.93 0.00 0.00 57.85 56.62 2khe n ARG 33 Cb 0.00 -1.35 0.74 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 0.39 -0.10 1.55 2.07 -1.63 0.66 116.25 119.20 2khe h VAL 34 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2khe h VAL 34 Cb 0.00 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2khe h VAL 34 CO 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.46 2khe h ALA 35 N 1.50 0.16 0.00 1.67 0.00 -1.30 -3.22 119.26 118.08 2khe h ALA 35 Ca 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2khe h ALA 35 Cb 1.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2khe h ALA 35 CO -0.00 0.03 -0.41 0.00 0.00 0.00 0.00 179.25 178.86 2khe h THR 36 N -0.15 0.00 -2.12 0.00 1.03 0.13 -3.45 112.91 108.36 2khe h THR 36 Ca 0.01 -0.86 -0.53 0.00 -0.01 0.00 0.00 66.41 65.02 2khe h THR 36 Cb 0.67 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 2khe h THR 36 CO 0.03 0.00 1.42 -0.76 -0.01 0.00 0.00 175.52 176.21 2khe s LEU 37 N -5.45 3.42 0.49 0.00 1.43 0.21 -4.81 118.68 113.97 2khe s LEU 37 Ca 0.05 1.15 0.39 0.00 -1.03 0.00 0.00 54.13 54.69 2khe s LEU 37 Cb 0.09 -3.05 1.58 0.00 0.03 0.00 0.00 46.19 44.84 2khe s LEU 37 CO 0.71 -2.19 1.58 -0.33 0.23 0.00 0.00 176.35 176.34 2khe h GLU 38 N 15.40 0.01 -4.57 1.70 3.07 -1.87 -3.37 114.58 124.96 2khe h GLU 38 Ca -0.31 -0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.16 2khe h GLU 38 Cb 1.21 -0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.82 2khe h GLU 38 CO 1.09 0.00 -0.78 0.16 -1.40 0.00 0.00 179.01 178.09 2khe s ASP 39 N -4.15 1.00 0.43 1.42 1.47 -1.26 -4.70 116.67 110.88 2khe s ASP 39 Ca -0.07 -0.15 0.22 0.00 1.18 0.00 0.00 52.55 53.73 2khe s ASP 39 Cb 0.30 -0.18 0.95 0.00 -0.34 0.00 0.00 42.92 43.65 2khe s ASP 39 CO 0.85 0.08 1.85 1.55 0.68 0.00 0.00 175.17 180.18 2khe h PRO 40 N 6.14 0.00 -1.61 2.11 0.13 -1.88 -3.12 132.00 133.77 2khe h PRO 40 Ca -0.31 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.71 2khe h PRO 40 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2khe h PRO 40 CO 0.49 0.26 0.14 0.54 -0.23 0.00 0.00 178.00 179.21 2khe n ARG 41 N -3.55 1.27 -0.13 0.86 1.74 -1.26 -3.96 116.66 111.63 2khe n ARG 41 Ca -0.01 -0.54 -0.27 0.00 -0.77 0.00 0.00 57.85 56.26 2khe n ARG 41 Cb 0.41 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.54 2khe n ARG 41 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2khe n SER 42 N 0.86 1.86 -0.10 0.55 2.88 -1.18 -4.82 113.62 113.67 2khe n SER 42 Ca 0.11 0.32 -0.14 0.00 -1.33 0.00 0.00 58.87 57.82 2khe n SER 42 Cb 0.57 -0.77 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 2khe n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2khe n LEU 43 N -4.20 1.88 -4.22 2.46 4.77 -1.25 -4.99 117.00 111.45 2khe n LEU 43 Ca -0.50 0.46 -0.28 0.00 -0.03 0.00 0.00 56.01 55.66 2khe n LEU 43 Cb 0.85 -0.85 0.26 0.00 -2.33 0.00 0.00 43.42 41.34 2khe n LEU 43 CO 0.04 -0.06 0.28 0.61 -1.33 0.00 0.00 177.39 176.93 2khe n GLY 44 N 1.47 -3.31 3.01 -0.72 0.00 -1.26 -4.75 105.19 99.63 2khe n GLY 44 Ca -0.23 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 2khe n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khe s GLU 45 N -4.59 0.40 0.72 1.61 -1.05 0.13 -4.89 118.70 111.03 2khe s GLU 45 Ca 0.61 -0.77 -0.13 0.00 -0.15 0.00 0.00 54.97 54.54 2khe s GLU 45 Cb -0.13 0.10 0.03 0.00 -0.44 0.00 0.00 34.13 33.69 2khe s GLU 45 CO 0.54 -0.06 1.10 -1.25 0.95 0.00 0.00 175.26 176.54 2khe s PRO 46 N -2.05 2.51 -0.61 -4.83 0.04 -1.26 -1.17 135.00 127.63 2khe s PRO 46 Ca -0.10 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.25 2khe s PRO 46 Cb -0.06 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.72 2khe s PRO 46 CO -0.03 -1.46 0.42 -1.17 0.04 0.00 0.00 177.00 174.80 2khe s LEU 47 N -5.44 4.07 0.32 -3.56 0.20 -0.42 -4.86 118.68 108.99 2khe s LEU 47 Ca 0.64 -3.52 -0.17 0.00 0.69 0.00 0.00 54.13 51.78 2khe s LEU 47 Cb -0.19 -1.41 -0.09 0.00 -0.43 0.00 0.00 46.19 44.08 2khe s LEU 47 CO 0.49 -0.13 0.76 -0.60 -0.29 0.00 0.00 176.35 176.58 2khe s ARG 48 N -0.91 4.08 0.00 1.98 3.52 -1.26 -4.27 118.95 122.08 2khe s ARG 48 Ca 0.24 0.76 0.00 0.00 -0.13 0.00 0.00 55.73 56.61 2khe s ARG 48 Cb -0.08 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.84 2khe s ARG 48 CO -0.13 0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 2khe n GLY 49 N -0.23 1.63 0.15 8.12 0.00 -1.25 -4.95 105.19 108.66 2khe n GLY 49 Ca 0.03 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 0.43 0.11 1.61 0.13 -1.97 -3.34 132.00 128.96 2khe h PRO 50 Ca 0.00 -0.22 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2khe h PRO 50 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2khe h PRO 50 CO 0.00 0.79 -0.05 0.93 -0.23 0.00 0.00 178.00 179.44 2khe h GLU 51 N 0.08 -0.14 -6.85 0.86 5.08 -2.00 -3.45 114.58 108.16 2khe h GLU 51 Ca 0.03 0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.90 2khe h GLU 51 Cb 0.71 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2khe h GLU 51 CO 0.04 0.35 0.12 -0.51 -1.00 0.00 0.00 179.01 178.01 2khe s LEU 52 N -8.97 3.83 0.00 1.33 1.02 -1.25 -5.06 118.68 109.59 2khe s LEU 52 Ca -0.14 1.14 0.00 0.00 0.02 0.00 0.00 54.13 55.15 2khe s LEU 52 Cb 0.00 -4.02 0.00 0.00 0.02 0.00 0.00 46.19 42.19 2khe s LEU 52 CO 0.54 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 177.12 2khe n GLY 53 N -1.27 -0.14 2.87 -3.19 0.00 -1.26 -3.75 105.19 98.44 2khe n GLY 53 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2khe n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khe s ARG 54 N 0.00 1.28 -0.16 1.61 3.52 -1.26 -4.58 118.95 119.35 2khe s ARG 54 Ca 0.00 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 54.78 2khe s ARG 54 Cb 0.00 -2.35 0.06 0.00 -1.56 0.00 0.00 34.95 31.11 2khe s ARG 54 CO 0.00 -0.59 0.38 -0.06 -0.81 0.00 0.00 175.30 174.23 2khe s PHE 55 N 1.58 -0.59 0.04 5.12 0.08 -1.26 -4.94 117.98 118.01 2khe s PHE 55 Ca -0.03 1.24 -0.12 0.00 0.12 0.00 0.00 56.93 58.14 2khe s PHE 55 Cb -0.18 0.23 -0.06 0.00 -0.57 0.00 0.00 43.02 42.45 2khe s PHE 55 CO -0.07 -0.35 0.40 -0.46 -0.10 0.00 0.00 175.22 174.64 2khe s TRP 56 N 1.58 3.66 -0.02 0.36 -0.11 -0.83 -1.31 118.94 122.28 2khe s TRP 56 Ca -0.08 0.89 0.04 0.00 1.22 0.00 0.00 56.10 58.16 2khe s TRP 56 Cb -0.09 -2.22 -0.01 0.00 -1.50 0.00 0.00 33.47 29.65 2khe s TRP 56 CO -0.12 0.59 -0.12 0.21 -4.62 0.00 0.00 176.95 172.88 2khe s LYS 57 N -1.48 1.07 0.02 5.86 2.20 -0.32 0.22 119.74 127.32 2khe s LYS 57 Ca 0.28 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 2khe s LYS 57 Cb -0.15 -1.02 -0.04 0.00 -1.51 0.00 0.00 37.83 35.11 2khe s LYS 57 CO 0.15 0.24 0.04 0.71 -0.36 0.00 0.00 175.35 176.13 2khe s TYR 58 N -0.18 3.14 -0.24 4.03 2.02 0.25 0.20 117.35 126.57 2khe s TYR 58 Ca 0.03 0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2khe s TYR 58 Cb -0.06 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2khe s TYR 58 CO -0.00 0.50 -0.03 -0.98 -1.57 0.00 0.00 175.55 173.46 2khe s ARG 59 N -1.83 3.11 -0.60 -0.62 1.70 -1.26 -1.76 118.95 117.69 2khe s ARG 59 Ca 0.23 -0.80 0.04 0.00 -0.47 0.00 0.00 55.73 54.73 2khe s ARG 59 Cb -0.12 -3.05 0.15 0.00 -0.57 0.00 0.00 34.95 31.36 2khe s ARG 59 CO 0.14 -0.32 0.37 0.08 -1.08 0.00 0.00 175.30 174.50 2khe s VAL 60 N 1.42 2.58 0.00 4.99 1.01 -0.77 -5.01 120.40 124.63 2khe s VAL 60 Ca 0.03 -3.72 0.00 0.00 0.00 0.00 0.00 61.98 58.29 2khe s VAL 60 Cb -0.16 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.48 2khe s VAL 60 CO -0.03 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.76 2khe n GLY 61 N 2.57 1.49 0.19 4.51 0.00 -1.26 -2.32 105.19 110.37 2khe n GLY 61 Ca 0.13 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 6.93 1.95 -4.20 1.61 9.92 -1.26 -5.02 116.55 126.48 2khe n ASP 62 Ca 0.00 -2.98 -0.27 0.00 -0.53 0.00 0.00 54.79 51.01 2khe n ASP 62 Cb 0.00 -0.40 -0.16 0.00 -0.64 0.00 0.00 41.12 39.92 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 -2.45 1.90 -0.11 1.24 1.51 -0.98 -2.44 117.35 116.02 2khe s TYR 63 Ca 0.28 -0.46 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2khe s TYR 63 Cb 0.25 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.82 2khe s TYR 63 CO 0.02 -0.11 0.03 1.03 -1.11 0.00 0.00 175.55 175.40 2khe s ARG 64 N -0.24 3.22 -0.14 -0.62 1.81 -0.52 -1.84 118.95 120.62 2khe s ARG 64 Ca 0.02 -0.37 -0.00 0.00 -1.72 0.00 0.00 55.73 53.66 2khe s ARG 64 Cb -0.10 -2.91 0.03 0.00 -0.45 0.00 0.00 34.95 31.52 2khe s ARG 64 CO 0.01 0.63 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.65 2khe s LEU 65 N -0.67 1.48 -0.63 2.53 1.43 -0.72 -2.18 118.68 119.93 2khe s LEU 65 Ca 0.11 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 2khe s LEU 65 Cb -0.12 -1.00 0.08 0.00 0.03 0.00 0.00 46.19 45.18 2khe s LEU 65 CO 0.02 -0.10 0.87 -0.63 0.23 0.00 0.00 176.35 176.74 2khe s ILE 66 N 1.60 4.50 0.41 -0.59 -1.09 -0.18 -0.58 121.20 125.27 2khe s ILE 66 Ca 0.04 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 57.98 2khe s ILE 66 Cb -0.13 -4.61 -0.01 0.00 -1.58 0.00 0.00 42.46 36.13 2khe s ILE 66 CO -0.09 -1.33 0.43 0.00 -1.23 0.00 0.00 174.94 172.73 2khe s HIS 68 N -2.43 1.62 -0.32 0.00 2.46 0.15 -1.96 115.29 114.82 2khe s HIS 68 Ca 0.50 -1.60 -0.29 0.00 0.47 0.00 0.00 55.06 54.14 2khe s HIS 68 Cb -0.05 -1.60 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2khe s HIS 68 CO 0.29 -0.84 1.36 0.42 -2.47 0.00 0.00 174.74 173.51 2khe s ILE 69 N 1.65 4.04 -0.52 0.89 1.01 -1.26 -2.12 121.20 124.88 2khe s ILE 69 Ca 0.08 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 61.70 2khe s ILE 69 Cb -0.17 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.27 2khe s ILE 69 CO -0.22 -0.53 0.52 -1.10 0.00 0.00 0.00 174.94 173.61 2khe s GLN 70 N 4.41 3.02 0.29 2.79 -0.21 -0.52 -4.92 119.66 124.51 2khe s GLN 70 Ca 0.59 -1.38 -0.03 0.00 0.02 0.00 0.00 55.36 54.56 2khe s GLN 70 Cb -0.17 -4.20 0.40 0.00 1.00 0.00 0.00 33.01 30.04 2khe s GLN 70 CO 0.26 -1.25 1.93 0.22 -2.12 0.00 0.00 175.29 174.33 2khe h ASP 71 N 8.92 0.96 -0.89 5.90 3.58 -1.94 1.03 116.42 133.98 2khe h ASP 71 Ca -0.29 -0.05 0.08 0.00 0.42 0.00 0.00 57.03 57.19 2khe h ASP 71 Cb 1.10 -0.24 -0.11 0.00 1.72 0.00 0.00 39.33 41.80 2khe h ASP 71 CO 0.99 0.73 -0.52 -1.14 -2.88 0.00 0.00 179.24 176.41 2khe n ARG 72 N -4.38 -0.39 -0.21 0.28 0.63 -1.26 -1.90 116.66 109.43 2khe n ARG 72 Ca 0.09 1.41 0.09 0.00 -0.92 0.00 0.00 57.85 58.52 2khe n ARG 72 Cb 0.06 -2.08 0.18 0.00 0.45 0.00 0.00 32.46 31.07 2khe n ARG 72 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2khe n GLU 73 N -5.03 1.77 -4.22 -0.14 -0.58 -1.17 -4.98 120.64 106.29 2khe n GLU 73 Ca 0.02 -2.69 -0.32 0.00 -0.42 0.00 0.00 57.16 53.74 2khe n GLU 73 Cb 0.23 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 2khe n GLU 73 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2khe n ALA 74 N -1.16 -1.71 -3.40 0.62 0.00 0.34 -4.80 120.51 110.42 2khe n ALA 74 Ca 0.18 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 2khe n ALA 74 Cb 0.72 -1.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 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 -3.82 3.08 -0.39 0.00 2.01 -0.47 -2.98 115.64 113.06 2khe s THR 75 Ca 0.31 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 2khe s THR 75 Cb -0.17 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.00 2khe s THR 75 CO 0.95 0.48 0.57 -0.69 -0.69 0.00 0.00 174.62 175.24 2khe s VAL 76 N 0.97 4.94 -0.15 3.82 1.01 -0.18 -1.44 120.40 129.37 2khe s VAL 76 Ca -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2khe s VAL 76 Cb -0.15 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2khe s VAL 76 CO -0.01 -0.39 -0.07 -0.22 0.00 0.00 0.00 175.10 174.40 2khe s LEU 77 N 2.55 3.03 0.29 3.92 0.20 -0.90 -0.70 118.68 127.08 2khe s LEU 77 Ca 0.20 -0.21 -0.28 0.00 0.69 0.00 0.00 54.13 54.52 2khe s LEU 77 Cb -0.15 -1.71 -0.09 0.00 -0.43 0.00 0.00 46.19 43.80 2khe s LEU 77 CO 0.16 0.16 0.99 -0.69 -0.29 0.00 0.00 176.35 176.68 2khe s VAL 78 N 0.39 3.93 -0.15 1.68 1.01 0.24 0.30 120.40 127.80 2khe s VAL 78 Ca -0.07 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.60 2khe s VAL 78 Cb -0.15 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2khe s VAL 78 CO 0.04 0.30 -0.24 0.18 0.00 0.00 0.00 175.10 175.39 2khe n LEU 79 N 0.96 1.43 -3.85 3.92 4.77 0.55 -1.61 117.00 123.17 2khe n LEU 79 Ca 0.00 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2khe n LEU 79 Cb 0.48 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 2khe n LEU 79 CO 0.49 0.10 -0.12 -0.60 -1.33 0.00 0.00 177.39 175.92 2khe s ARG 80 N -2.43 0.60 -0.04 3.23 6.06 -1.10 -3.69 118.95 121.58 2khe s ARG 80 Ca -0.24 -0.50 -0.01 0.00 -2.50 0.00 0.00 55.73 52.49 2khe s ARG 80 Cb 0.07 0.25 0.03 0.00 0.06 0.00 0.00 34.95 35.36 2khe s ARG 80 CO 0.31 -0.16 0.02 0.08 -2.50 0.00 0.00 175.30 173.06 2khe s VAL 81 N -1.97 0.08 0.12 7.11 1.01 -1.26 -1.01 120.40 124.47 2khe s VAL 81 Ca -0.10 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 2khe s VAL 81 Cb -0.04 -0.23 0.07 0.00 0.00 0.00 0.00 36.38 36.17 2khe s VAL 81 CO -0.01 0.16 0.62 -0.83 0.00 0.00 0.00 175.10 175.04 2khe s GLY 82 N 1.47 -0.61 0.17 4.51 0.00 -0.93 -4.61 107.32 107.32 2khe s GLY 82 Ca -0.04 0.66 -0.31 0.00 0.00 0.00 0.00 44.72 45.04 2khe s GLY 82 CO -0.03 0.32 1.40 -1.58 0.00 0.00 0.00 173.10 173.21 2khe s HIS 83 N -3.23 3.19 0.36 1.90 5.65 -1.26 -1.44 115.29 120.46 2khe s HIS 83 Ca -0.01 1.00 0.30 0.00 0.25 0.00 0.00 55.06 56.59 2khe s HIS 83 Cb -0.01 -3.71 1.19 0.00 -1.18 0.00 0.00 32.58 28.87 2khe s HIS 83 CO -0.08 -2.42 1.16 0.00 -0.65 0.00 0.00 174.74 172.75 2khe n ALA 84 N 3.31 1.18 0.29 1.58 0.00 -1.02 0.17 120.51 126.03 2khe n ALA 84 Ca 0.09 0.58 -0.14 0.00 0.00 0.00 0.00 53.44 53.98 2khe n ALA 84 Cb 0.42 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 2khe n ALA 84 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2khe h ARG 85 N 0.00 -0.82 0.12 0.00 2.43 -1.88 -3.34 114.38 110.89 2khe h ARG 85 Ca 0.68 0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.90 2khe h ARG 85 Cb 2.41 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 32.15 2khe h ARG 85 CO -0.21 -0.54 -0.06 0.22 -1.51 0.00 0.00 179.97 177.87 2khe h ASP 86 N -0.85 -0.14 -0.86 -3.80 3.58 -0.63 -3.44 116.42 110.28 2khe h ASP 86 Ca -0.07 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.66 2khe h ASP 86 Cb 0.69 0.04 0.03 0.00 1.72 0.00 0.00 39.33 41.80 2khe h ASP 86 CO 0.05 -0.08 0.32 0.55 -2.88 0.00 0.00 179.24 177.21 2khe n VAL 87 N -2.56 0.00 -0.96 2.25 3.14 -0.89 -4.82 118.33 114.48 2khe n VAL 87 Ca -0.02 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.02 2khe n VAL 87 Cb 0.06 -0.22 0.11 0.00 -1.06 0.00 0.00 33.84 32.74 2khe n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2khe n TYR 88 N 2.38 -0.63 0.00 1.45 4.11 -1.26 -4.79 117.16 118.41 2khe n TYR 88 Ca 0.22 0.31 0.00 0.00 -0.00 0.00 0.00 57.90 58.43 2khe n TYR 88 Cb 0.01 -1.89 0.00 0.00 -0.00 0.00 0.00 39.34 37.46 2khe n TYR 88 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73