#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy n PRO 2 N 0.00 0.73 -0.25 0.03 -0.04 -1.26 -4.87 135.00 129.34 3kiy n PRO 2 Ca 0.00 -0.67 -0.08 0.00 -0.04 0.00 0.00 63.50 62.71 3kiy n PRO 2 Cb 0.00 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3kiy n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kiy n ARG 3 N 4.06 0.00 -3.96 0.54 1.74 -1.04 -4.49 116.66 113.50 3kiy n ARG 3 Ca 0.16 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 3kiy n ARG 3 Cb 0.11 -0.18 -0.10 0.00 -1.02 0.00 0.00 32.46 31.27 3kiy n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kiy s LEU 4 N 0.56 3.81 -0.67 0.55 1.43 -0.52 -1.24 118.68 122.60 3kiy s LEU 4 Ca 0.11 0.06 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3kiy s LEU 4 Cb -0.16 -1.97 0.17 0.00 0.03 0.00 0.00 46.19 44.26 3kiy s LEU 4 CO 0.10 0.15 0.53 -0.75 0.23 0.00 0.00 176.35 176.61 3kiy s LYS 5 N 0.50 2.85 0.10 1.70 2.20 -0.80 -0.07 119.74 126.22 3kiy s LYS 5 Ca 0.04 -2.47 -0.18 0.00 -0.36 0.00 0.00 55.97 52.99 3kiy s LYS 5 Cb -0.13 -3.94 -0.07 0.00 -1.51 0.00 0.00 37.83 32.19 3kiy s LYS 5 CO 0.01 -1.21 0.57 0.14 -0.36 0.00 0.00 175.35 174.50 3kiy s VAL 6 N 0.08 4.77 -0.30 4.02 -7.23 -0.76 -2.12 120.40 118.85 3kiy s VAL 6 Ca 0.17 1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 61.44 3kiy s VAL 6 Cb -0.18 -3.85 0.10 0.00 0.56 0.00 0.00 36.38 33.01 3kiy s VAL 6 CO -0.05 0.47 0.10 -0.75 -0.31 0.00 0.00 175.10 174.56 3kiy s LYS 7 N -1.35 0.58 -0.17 4.82 2.20 -0.54 -0.52 119.74 124.75 3kiy s LYS 7 Ca 0.32 -0.91 -0.34 0.00 -0.36 0.00 0.00 55.97 54.68 3kiy s LYS 7 Cb -0.18 -1.78 -0.11 0.00 -1.51 0.00 0.00 37.83 34.24 3kiy s LYS 7 CO 0.19 -0.98 1.97 -0.11 -0.36 0.00 0.00 175.35 176.06 3kiy n LEU 8 N 4.96 3.09 -0.02 5.43 -0.00 -1.16 -3.04 117.00 126.26 3kiy n LEU 8 Ca -0.03 0.79 0.01 0.00 -0.00 0.00 0.00 56.01 56.77 3kiy n LEU 8 Cb 0.42 -1.35 0.01 0.00 -0.00 0.00 0.00 43.42 42.50 3kiy n LEU 8 CO 0.09 -0.28 0.45 1.33 -0.00 0.00 0.00 177.39 178.99 3kiy n VAL 9 N 5.80 0.86 -3.69 1.96 0.24 0.28 0.52 118.33 124.30 3kiy n VAL 9 Ca 0.27 -0.89 -0.15 0.00 -2.04 0.00 0.00 64.34 61.53 3kiy n VAL 9 Cb 0.28 0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 33.04 3kiy n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kiy s LYS 10 N -0.94 0.07 0.11 7.34 2.20 -0.86 -4.92 119.74 122.75 3kiy s LYS 10 Ca 0.02 0.53 -0.35 0.00 -0.36 0.00 0.00 55.97 55.82 3kiy s LYS 10 Cb 0.02 -0.21 -0.14 0.00 -1.51 0.00 0.00 37.83 35.99 3kiy s LYS 10 CO 0.00 -0.26 1.55 0.45 -0.36 0.00 0.00 175.35 176.73 3kiy n SER 11 N 4.97 2.76 -0.05 1.43 2.88 -1.26 -4.83 113.62 119.52 3kiy n SER 11 Ca -0.12 1.08 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 3kiy n SER 11 Cb 0.50 -1.36 0.68 0.00 -0.75 0.00 0.00 64.21 63.29 3kiy n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kiy n PRO 12 N 3.53 0.50 -1.59 -1.46 -0.04 -1.26 -4.84 135.00 129.84 3kiy n PRO 12 Ca 0.18 -0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.19 3kiy n PRO 12 Cb 0.26 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3kiy n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kiy s ILE 13 N -2.56 3.03 0.00 0.52 1.01 -1.26 0.12 121.20 122.06 3kiy s ILE 13 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3kiy s ILE 13 Cb 0.20 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3kiy s ILE 13 CO 0.48 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3kiy n GLY 14 N 5.98 1.44 3.88 6.18 0.00 -1.26 -5.12 105.19 116.29 3kiy n GLY 14 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 3kiy n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kiy s TYR 15 N -0.73 3.49 0.92 1.61 1.51 0.12 -5.04 117.35 119.22 3kiy s TYR 15 Ca 0.00 1.00 -0.15 0.00 -1.01 0.00 0.00 57.07 56.91 3kiy s TYR 15 Cb 0.00 -2.41 -0.06 0.00 -0.11 0.00 0.00 41.96 39.38 3kiy s TYR 15 CO 0.00 -0.13 -0.09 -2.30 -1.11 0.00 0.00 175.55 171.91 3kiy n PRO 16 N -1.45 -0.09 0.17 -1.71 -0.02 -1.26 -4.76 135.00 125.88 3kiy n PRO 16 Ca 0.02 -0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.36 3kiy n PRO 16 Cb 0.54 -1.46 -0.07 0.00 -0.02 0.00 0.00 33.50 32.49 3kiy n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kiy h LYS 17 N -1.11 -0.53 -1.03 -0.52 1.79 -1.98 -2.57 116.57 110.62 3kiy h LYS 17 Ca -0.44 0.04 0.27 0.00 -2.18 0.00 0.00 60.65 58.33 3kiy h LYS 17 Cb 1.31 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 32.00 3kiy h LYS 17 CO 0.31 -0.35 0.68 0.38 -1.08 0.00 0.00 179.45 179.39 3kiy h ASP 18 N -0.55 0.36 0.71 0.86 2.03 -1.99 0.20 116.42 118.04 3kiy h ASP 18 Ca -0.01 0.06 -0.18 0.00 -0.73 0.00 0.00 57.03 56.18 3kiy h ASP 18 Cb 0.51 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 3kiy h ASP 18 CO -0.06 0.08 -0.83 1.56 -1.03 0.00 0.00 179.24 178.96 3kiy h GLN 19 N 0.33 0.08 0.00 4.15 4.20 -1.81 -2.00 115.11 120.07 3kiy h GLN 19 Ca 0.56 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.18 3kiy h GLN 19 Cb 1.56 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.37 3kiy h GLN 19 CO -0.23 0.86 0.00 0.87 -0.67 0.00 0.00 178.83 179.66 3kiy h LYS 20 N 0.05 0.00 0.01 1.46 1.57 -0.37 -2.97 116.57 116.31 3kiy h LYS 20 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kiy h LYS 20 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3kiy h LYS 20 CO 0.12 0.00 -0.00 0.00 -0.57 0.00 0.00 179.45 178.99 3kiy h ALA 21 N 2.28 -0.01 -0.89 3.86 0.00 -0.83 -3.23 119.26 120.44 3kiy h ALA 21 Ca 0.00 -0.42 0.20 0.00 0.00 0.00 0.00 54.91 54.69 3kiy h ALA 21 Cb 0.75 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 3kiy h ALA 21 CO 0.00 -0.02 0.43 0.00 0.00 0.00 0.00 179.25 179.65 3kiy h ALA 22 N -0.10 1.41 -0.87 0.00 0.00 -1.36 0.53 119.26 118.86 3kiy h ALA 22 Ca -0.00 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3kiy h ALA 22 Cb 0.84 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 3kiy h ALA 22 CO 0.00 -0.24 0.57 -0.07 0.00 0.00 0.00 179.25 179.50 3kiy h LEU 23 N 0.50 0.83 -0.80 0.00 3.38 -1.60 0.11 115.31 117.73 3kiy h LEU 23 Ca 0.53 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 3kiy h LEU 23 Cb 0.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3kiy h LEU 23 CO -0.46 0.52 -0.59 0.50 0.09 0.00 0.00 178.44 178.49 3kiy h LYS 24 N 0.93 0.03 -0.30 1.13 3.64 -0.04 0.15 116.57 122.11 3kiy h LYS 24 Ca 0.39 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.69 3kiy h LYS 24 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3kiy h LYS 24 CO -0.15 0.61 -0.05 0.00 -2.27 0.00 0.00 179.45 177.59 3kiy h ALA 25 N 1.38 0.41 0.00 5.00 0.00 0.50 -1.93 119.26 124.62 3kiy h ALA 25 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kiy h ALA 25 Cb 1.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kiy h ALA 25 CO 0.08 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.82 3kiy n LEU 26 N -4.51 0.00 -1.74 0.00 4.77 -0.14 -4.87 117.00 110.51 3kiy n LEU 26 Ca -0.03 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.85 3kiy n LEU 26 Cb 0.30 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3kiy n LEU 26 CO 0.40 -0.01 -0.20 0.61 -1.33 0.00 0.00 177.39 176.86 3kiy n GLY 27 N 0.56 -0.03 3.54 -0.72 0.00 -0.66 -4.97 105.19 102.90 3kiy n GLY 27 Ca 0.17 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3kiy n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kiy s LEU 28 N -4.45 4.48 0.00 0.99 1.43 0.44 -4.97 118.68 116.59 3kiy s LEU 28 Ca 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3kiy s LEU 28 Cb 0.00 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.75 3kiy s LEU 28 CO 0.00 -0.46 0.00 0.54 0.23 0.00 0.00 176.35 176.66 3kiy n ARG 29 N 5.62 0.00 -2.22 1.70 1.74 -1.26 -4.45 116.66 117.78 3kiy n ARG 29 Ca -0.07 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.75 3kiy n ARG 29 Cb 0.49 -0.40 0.10 0.00 -1.02 0.00 0.00 32.46 31.62 3kiy n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kiy s ARG 30 N -0.84 1.75 0.39 5.56 0.52 -1.26 -5.06 118.95 120.02 3kiy s ARG 30 Ca 0.00 -0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 54.56 3kiy s ARG 30 Cb 0.00 -2.13 -0.10 0.00 0.52 0.00 0.00 34.95 33.24 3kiy s ARG 30 CO 0.00 -1.54 0.86 -0.51 0.02 0.00 0.00 175.30 174.14 3kiy s LEU 31 N -5.37 3.96 0.00 2.53 1.43 -1.26 -3.52 118.68 116.45 3kiy s LEU 31 Ca 0.64 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3kiy s LEU 31 Cb -0.08 -4.34 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3kiy s LEU 31 CO 0.46 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 176.72 3kiy n GLN 32 N -0.64 0.00 -2.04 1.70 1.13 0.18 -4.93 117.38 112.78 3kiy n GLN 32 Ca 0.05 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 3kiy n GLN 32 Cb 0.54 -2.67 -0.03 0.00 0.11 0.00 0.00 30.24 28.19 3kiy n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3kiy s GLN 33 N -0.06 4.20 0.31 -1.09 0.74 -1.23 -4.78 119.66 117.75 3kiy s GLN 33 Ca 0.00 2.16 -0.01 0.00 0.05 0.00 0.00 55.36 57.56 3kiy s GLN 33 Cb 0.00 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 3kiy s GLN 33 CO 0.00 -0.80 0.53 -1.21 -0.55 0.00 0.00 175.29 173.26 3kiy s GLU 34 N 3.67 3.53 -0.28 1.67 2.02 -1.26 -2.99 118.70 125.05 3kiy s GLU 34 Ca 0.72 -0.25 -0.09 0.00 0.02 0.00 0.00 54.97 55.37 3kiy s GLU 34 Cb -0.33 -2.68 0.12 0.00 0.10 0.00 0.00 34.13 31.34 3kiy s GLU 34 CO 0.29 0.20 0.60 1.03 0.02 0.00 0.00 175.26 177.40 3kiy s ARG 35 N -3.99 0.53 -0.16 1.61 0.52 0.32 -4.98 118.95 112.80 3kiy s ARG 35 Ca 0.41 1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 56.81 3kiy s ARG 35 Cb -0.10 0.76 -0.04 0.00 0.52 0.00 0.00 34.95 36.09 3kiy s ARG 35 CO 0.34 -0.22 0.45 0.14 0.02 0.00 0.00 175.30 176.03 3kiy s VAL 36 N 2.84 5.18 0.32 3.52 -7.23 -1.26 -1.84 120.40 121.94 3kiy s VAL 36 Ca -0.04 0.87 0.03 0.00 -1.81 0.00 0.00 61.98 61.02 3kiy s VAL 36 Cb -0.12 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 3kiy s VAL 36 CO -0.18 0.28 0.09 0.18 -0.31 0.00 0.00 175.10 175.16 3kiy n LEU 37 N 4.10 0.00 0.00 1.32 4.77 0.89 -4.97 117.00 123.11 3kiy n LEU 37 Ca -0.07 -2.38 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 3kiy n LEU 37 Cb 0.51 0.69 0.00 0.00 -2.33 0.00 0.00 43.42 42.29 3kiy n LEU 37 CO 0.42 -0.36 0.00 -0.62 -1.33 0.00 0.00 177.39 175.50 3kiy n GLU 38 N -0.74 2.48 0.00 3.23 -0.58 -1.26 -1.45 120.64 122.32 3kiy n GLU 38 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3kiy n GLU 38 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 3kiy n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kiy n ASP 39 N 0.00 0.00 -4.47 1.62 2.03 -1.26 -2.55 116.55 111.92 3kiy n ASP 39 Ca 0.00 -1.00 -0.38 0.00 0.52 0.00 0.00 54.79 53.93 3kiy n ASP 39 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 3kiy n ASP 39 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3kiy n THR 40 N 0.00 2.24 0.29 5.18 5.66 -1.26 -4.68 114.28 121.70 3kiy n THR 40 Ca 0.00 -0.48 0.18 0.00 -3.05 0.00 0.00 64.05 60.71 3kiy n THR 40 Cb 0.48 -0.72 0.95 0.00 -1.55 0.00 0.00 70.33 69.49 3kiy n THR 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3kiy h PRO 41 N 0.10 0.00 0.01 1.09 0.11 -1.99 -1.13 132.00 130.20 3kiy h PRO 41 Ca -0.46 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.38 3kiy h PRO 41 Cb 1.39 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 3kiy h PRO 41 CO 0.46 0.00 -1.51 0.00 -0.21 0.00 0.00 178.00 176.74 3kiy h ALA 42 N 1.69 0.61 0.00 -0.75 0.00 -2.00 -2.20 119.26 116.61 3kiy h ALA 42 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.66 3kiy h ALA 42 Cb 0.40 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kiy h ALA 42 CO -0.00 1.45 -0.30 -0.89 0.00 0.00 0.00 179.25 179.52 3kiy n ILE 43 N -3.18 0.08 0.00 0.00 2.08 -0.78 -3.39 119.36 114.18 3kiy n ILE 43 Ca -0.13 -0.05 -0.20 0.00 0.56 0.00 0.00 62.75 62.93 3kiy n ILE 43 Cb 1.02 -0.13 -0.14 0.00 -0.75 0.00 0.00 39.64 39.64 3kiy n ILE 43 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kiy n ARG 44 N -1.62 0.74 -0.33 0.38 0.63 -0.50 -3.74 116.66 112.22 3kiy n ARG 44 Ca 0.06 0.27 0.06 0.00 -0.92 0.00 0.00 57.85 57.31 3kiy n ARG 44 Cb 0.36 -1.72 0.25 0.00 0.45 0.00 0.00 32.46 31.80 3kiy n ARG 44 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kiy h GLY 45 N 1.42 1.45 2.00 5.14 0.00 -1.41 0.27 103.07 111.95 3kiy h GLY 45 Ca -0.41 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 3kiy h GLY 45 CO 0.09 0.23 -0.39 3.43 0.00 0.00 0.00 176.54 179.89 3kiy h ASN 46 N 0.99 0.00 1.32 0.19 -0.26 -1.71 -1.48 115.58 114.63 3kiy h ASN 46 Ca 0.44 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.06 3kiy h ASN 46 Cb 0.37 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 3kiy h ASN 46 CO -0.20 0.39 -0.70 0.58 -1.06 0.00 0.00 177.43 176.45 3kiy h VAL 47 N 0.00 0.92 -0.02 2.81 2.07 -0.85 -2.97 116.25 118.22 3kiy h VAL 47 Ca -0.00 -2.34 -0.22 0.00 0.82 0.00 0.00 66.70 64.95 3kiy h VAL 47 Cb 0.89 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3kiy h VAL 47 CO 0.05 0.52 -0.92 -0.33 0.02 0.00 0.00 177.57 176.92 3kiy h GLU 48 N 0.00 0.45 -0.36 1.57 4.39 -0.35 -2.87 114.58 117.42 3kiy h GLU 48 Ca -0.03 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kiy h GLU 48 Cb 1.47 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 3kiy h GLU 48 CO 0.07 1.12 0.24 -0.22 -1.16 0.00 0.00 179.01 179.05 3kiy h LYS 49 N 0.26 0.48 -0.94 2.33 3.64 -1.23 -2.77 116.57 118.34 3kiy h LYS 49 Ca -0.08 -0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 58.76 3kiy h LYS 49 Cb 1.55 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 32.97 3kiy h LYS 49 CO 0.16 0.32 0.62 1.33 -2.27 0.00 0.00 179.45 179.61 3kiy n VAL 50 N -4.83 3.22 -0.27 2.00 0.24 -1.13 -4.70 118.33 112.86 3kiy n VAL 50 Ca -0.00 -2.19 0.07 0.00 -2.04 0.00 0.00 64.34 60.19 3kiy n VAL 50 Cb 0.03 -0.58 0.22 0.00 -1.47 0.00 0.00 33.84 32.03 3kiy n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kiy h ALA 51 N 1.18 1.14 0.00 2.33 0.00 -1.25 -1.09 119.26 121.57 3kiy h ALA 51 Ca 0.60 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.65 3kiy h ALA 51 Cb 2.42 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.35 3kiy h ALA 51 CO 1.13 -0.28 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 3kiy n HIS 52 N -5.05 0.00 -0.04 0.00 1.44 -1.26 -3.12 115.22 107.18 3kiy n HIS 52 Ca 0.16 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.84 3kiy n HIS 52 Cb 0.49 -0.27 -0.06 0.00 0.12 0.00 0.00 29.99 30.27 3kiy n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kiy n LEU 53 N -1.27 0.00 -4.78 2.39 4.77 -0.46 -4.87 117.00 112.78 3kiy n LEU 53 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.80 3kiy n LEU 53 Cb 0.12 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3kiy n LEU 53 CO 0.12 0.19 -0.23 -0.69 -1.33 0.00 0.00 177.39 175.45 3kiy s VAL 54 N -2.20 4.35 -0.14 4.08 1.01 -0.88 -0.55 120.40 126.06 3kiy s VAL 54 Ca -0.04 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.75 3kiy s VAL 54 Cb 0.02 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3kiy s VAL 54 CO 0.32 -0.16 -0.22 -0.60 0.00 0.00 0.00 175.10 174.44 3kiy s ARG 55 N -3.23 3.02 0.06 2.72 3.52 -1.17 -4.79 118.95 119.08 3kiy s ARG 55 Ca 0.31 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 3kiy s ARG 55 Cb -0.09 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 3kiy s ARG 55 CO 0.23 -0.03 -0.03 0.08 -0.81 0.00 0.00 175.30 174.73 3kiy s VAL 56 N 0.86 3.85 0.38 7.11 1.01 -1.26 -1.46 120.40 130.90 3kiy s VAL 56 Ca -0.06 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3kiy s VAL 56 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3kiy s VAL 56 CO -0.03 0.20 0.16 -0.70 0.00 0.00 0.00 175.10 174.74 3kiy s GLU 57 N -2.02 1.87 -0.14 2.72 2.12 -0.90 -4.99 118.70 117.35 3kiy s GLU 57 Ca 0.23 -2.12 -0.02 0.00 0.36 0.00 0.00 54.97 53.42 3kiy s GLU 57 Cb -0.11 -0.36 0.04 0.00 0.26 0.00 0.00 34.13 33.96 3kiy s GLU 57 CO 0.14 -0.52 -0.00 0.08 -0.54 0.00 0.00 175.26 174.42 3kiy s VAL 58 N -3.30 0.66 0.00 3.70 1.01 -1.26 -1.90 120.40 119.31 3kiy s VAL 58 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3kiy s VAL 58 Cb 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.46 3kiy s VAL 58 CO 0.18 0.06 0.25 0.52 0.00 0.00 0.00 175.10 176.10