#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n PRO 2 N 0.00 0.04 -0.18 0.03 -0.04 -1.26 -4.86 135.00 128.73 3kir n PRO 2 Ca 0.00 -1.29 -0.06 0.00 -0.04 0.00 0.00 63.50 62.11 3kir n PRO 2 Cb 0.00 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 3kir n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kir n ARG 3 N 8.03 0.00 -4.66 0.54 1.74 -0.49 -4.54 116.66 117.28 3kir n ARG 3 Ca 0.44 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.19 3kir n ARG 3 Cb 0.44 -0.15 -0.12 0.00 -1.02 0.00 0.00 32.46 31.61 3kir n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kir s LEU 4 N 0.78 3.06 -0.33 0.55 1.43 -0.43 -1.70 118.68 122.04 3kir s LEU 4 Ca 0.08 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3kir s LEU 4 Cb -0.07 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.58 3kir s LEU 4 CO 0.10 0.31 0.05 -0.75 0.23 0.00 0.00 176.35 176.29 3kir s LYS 5 N -0.51 1.43 -0.18 1.70 2.20 -0.39 -0.40 119.74 123.60 3kir s LYS 5 Ca 0.07 -1.76 -0.12 0.00 -0.36 0.00 0.00 55.97 53.80 3kir s LYS 5 Cb -0.12 -3.06 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 3kir s LYS 5 CO 0.02 -0.93 0.22 0.14 -0.36 0.00 0.00 175.35 174.45 3kir s VAL 6 N 0.99 5.35 -0.23 4.02 -7.23 -0.99 -1.42 120.40 120.90 3kir s VAL 6 Ca 0.10 0.40 0.02 0.00 -1.81 0.00 0.00 61.98 60.69 3kir s VAL 6 Cb -0.19 -3.56 0.05 0.00 0.56 0.00 0.00 36.38 33.23 3kir s VAL 6 CO -0.10 0.41 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.22 3kir s LYS 7 N 0.39 2.42 -0.32 4.82 2.20 -0.75 -0.78 119.74 127.72 3kir s LYS 7 Ca 0.13 -1.13 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 3kir s LYS 7 Cb -0.12 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3kir s LYS 7 CO 0.01 -0.45 1.71 -1.17 -0.36 0.00 0.00 175.35 175.09 3kir s LEU 8 N 1.20 3.58 0.00 5.43 1.98 -1.03 -1.70 118.68 128.14 3kir s LEU 8 Ca -0.04 1.28 0.03 0.00 -2.89 0.00 0.00 54.13 52.52 3kir s LEU 8 Cb -0.17 -3.53 0.09 0.00 0.66 0.00 0.00 46.19 43.24 3kir s LEU 8 CO -0.08 -1.59 1.01 1.33 -1.89 0.00 0.00 176.35 175.14 3kir n VAL 9 N 7.21 0.85 -3.73 1.68 0.24 0.65 0.74 118.33 125.97 3kir n VAL 9 Ca 0.21 -0.93 -0.14 0.00 -2.04 0.00 0.00 64.34 61.45 3kir n VAL 9 Cb 0.47 0.59 -0.14 0.00 -1.47 0.00 0.00 33.84 33.28 3kir n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kir s LYS 10 N -0.90 0.10 0.14 7.34 2.20 -0.86 -4.94 119.74 122.82 3kir s LYS 10 Ca 0.07 0.44 -0.33 0.00 -0.36 0.00 0.00 55.97 55.79 3kir s LYS 10 Cb 0.04 -0.18 -0.13 0.00 -1.51 0.00 0.00 37.83 36.05 3kir s LYS 10 CO 0.05 -0.19 1.68 0.45 -0.36 0.00 0.00 175.35 176.98 3kir n SER 11 N 4.41 3.46 -0.03 1.43 2.88 -1.26 -4.83 113.62 119.68 3kir n SER 11 Ca -0.23 1.05 0.15 0.00 -1.33 0.00 0.00 58.87 58.52 3kir n SER 11 Cb 0.51 -1.47 0.79 0.00 -0.75 0.00 0.00 64.21 63.30 3kir n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kir n PRO 12 N 4.22 0.65 -1.56 -1.46 -0.04 -1.26 -4.83 135.00 130.73 3kir n PRO 12 Ca 0.18 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 3kir n PRO 12 Cb 0.31 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 3kir n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3kir n ILE 13 N -1.13 0.18 0.00 0.52 5.41 -1.26 -0.72 119.36 122.36 3kir n ILE 13 Ca 0.17 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.38 3kir n ILE 13 Cb 0.21 -2.48 0.00 0.00 -0.71 0.00 0.00 39.64 36.66 3kir n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kir n GLY 14 N 5.97 1.03 3.72 7.39 0.00 -1.26 -5.11 105.19 116.93 3kir n GLY 14 Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.11 3kir n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kir s TYR 15 N -2.00 2.97 0.52 1.61 1.51 0.10 -5.09 117.35 116.96 3kir s TYR 15 Ca 0.00 -0.09 -0.18 0.00 -1.01 0.00 0.00 57.07 55.78 3kir s TYR 15 Cb 0.00 -1.42 -0.12 0.00 -0.11 0.00 0.00 41.96 40.30 3kir s TYR 15 CO 0.00 0.52 0.18 -2.30 -1.11 0.00 0.00 175.55 172.85 3kir n PRO 16 N -0.29 0.23 0.00 -1.71 -0.02 -1.26 -4.75 135.00 127.20 3kir n PRO 16 Ca -0.09 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3kir n PRO 16 Cb 0.55 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.66 3kir n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kir h LYS 17 N 0.16 -0.52 -0.80 -0.52 1.79 -1.98 -2.40 116.57 112.31 3kir h LYS 17 Ca -0.42 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.22 3kir h LYS 17 Cb 1.43 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 32.05 3kir h LYS 17 CO 0.45 -0.34 -0.31 0.38 -1.08 0.00 0.00 179.45 178.54 3kir h ASP 18 N -0.54 -1.13 -1.00 0.86 2.03 -1.99 0.13 116.42 114.78 3kir h ASP 18 Ca 0.06 0.26 0.10 0.00 -0.73 0.00 0.00 57.03 56.72 3kir h ASP 18 Cb 0.65 0.62 -0.08 0.00 -0.83 0.00 0.00 39.33 39.69 3kir h ASP 18 CO -0.41 -0.29 0.64 1.56 -1.03 0.00 0.00 179.24 179.71 3kir h GLN 19 N -0.06 1.03 0.00 4.15 4.20 -1.78 0.14 115.11 122.80 3kir h GLN 19 Ca 0.32 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 3kir h GLN 19 Cb 0.59 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3kir h GLN 19 CO -0.84 0.68 -0.41 0.87 -0.67 0.00 0.00 178.83 178.46 3kir h LYS 20 N 1.06 0.00 -0.05 1.46 1.57 -0.53 -2.71 116.57 117.38 3kir h LYS 20 Ca 0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.05 3kir h LYS 20 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kir h LYS 20 CO -0.23 0.41 -0.82 0.00 -0.57 0.00 0.00 179.45 178.24 3kir h ALA 21 N 1.59 0.49 -0.52 3.86 0.00 0.41 -3.01 119.26 122.07 3kir h ALA 21 Ca -0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.25 3kir h ALA 21 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3kir h ALA 21 CO 0.05 0.79 0.33 0.00 0.00 0.00 0.00 179.25 180.42 3kir h ALA 22 N 0.84 0.67 -0.87 0.00 0.00 -0.53 -0.03 119.26 119.35 3kir h ALA 22 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kir h ALA 22 Cb 1.43 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 3kir h ALA 22 CO 0.14 0.14 0.53 -0.07 0.00 0.00 0.00 179.25 180.00 3kir h LEU 23 N 0.71 0.83 -0.65 0.00 3.38 -1.49 0.15 115.31 118.24 3kir h LEU 23 Ca 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3kir h LEU 23 Cb -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kir h LEU 23 CO -0.04 0.51 0.33 0.50 0.09 0.00 0.00 178.44 179.84 3kir h LYS 24 N 0.95 0.92 -0.46 1.13 3.64 -1.16 0.22 116.57 121.81 3kir h LYS 24 Ca 0.39 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 3kir h LYS 24 Cb 0.22 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3kir h LYS 24 CO -0.19 0.71 0.16 0.00 -2.27 0.00 0.00 179.45 177.87 3kir h ALA 25 N 1.16 1.43 0.00 5.00 0.00 0.44 -0.57 119.26 126.71 3kir h ALA 25 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kir h ALA 25 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kir h ALA 25 CO -0.03 0.43 -0.17 1.28 0.00 0.00 0.00 179.25 180.76 3kir n LEU 26 N -4.34 0.18 0.00 0.00 4.77 0.39 -4.94 117.00 113.05 3kir n LEU 26 Ca 0.03 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3kir n LEU 26 Cb 0.17 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3kir n LEU 26 CO 0.38 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3kir n GLY 27 N 1.50 0.54 3.57 -0.72 0.00 0.54 -4.99 105.19 105.63 3kir n GLY 27 Ca 0.06 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3kir n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 28 N 0.00 4.27 -0.05 0.99 1.43 0.09 -4.94 118.68 120.47 3kir s LEU 28 Ca 0.00 0.12 -0.09 0.00 -1.03 0.00 0.00 54.13 53.13 3kir s LEU 28 Cb 0.00 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3kir s LEU 28 CO 0.00 -0.55 -0.18 0.54 0.23 0.00 0.00 176.35 176.39 3kir n ARG 29 N 5.95 0.27 -2.95 1.70 1.74 -1.26 -4.35 116.66 117.75 3kir n ARG 29 Ca -0.02 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.86 3kir n ARG 29 Cb 0.49 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3kir n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kir s ARG 30 N -2.35 3.76 0.77 5.56 0.52 -1.26 -5.06 118.95 120.89 3kir s ARG 30 Ca -0.15 0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.35 3kir s ARG 30 Cb 0.02 -2.44 0.06 0.00 0.52 0.00 0.00 34.95 33.11 3kir s ARG 30 CO 0.22 0.02 1.10 -0.51 0.02 0.00 0.00 175.30 176.14 3kir s LEU 31 N -3.76 3.05 0.00 2.53 1.43 -1.26 -3.05 118.68 117.61 3kir s LEU 31 Ca 0.50 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 3kir s LEU 31 Cb -0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.59 3kir s LEU 31 CO 0.31 -2.06 0.00 0.00 0.23 0.00 0.00 176.35 174.83 3kir n GLN 32 N -3.47 0.00 -2.35 1.70 1.13 0.23 -4.94 117.38 109.66 3kir n GLN 32 Ca 0.09 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.74 3kir n GLN 32 Cb 0.53 -3.22 -0.03 0.00 0.11 0.00 0.00 30.24 27.63 3kir n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3kir s GLN 33 N -0.19 4.42 0.01 -1.09 0.74 -1.17 -4.79 119.66 117.60 3kir s GLN 33 Ca 0.00 1.87 0.01 0.00 0.05 0.00 0.00 55.36 57.28 3kir s GLN 33 Cb 0.00 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 3kir s GLN 33 CO 0.00 -0.25 0.06 -1.21 -0.55 0.00 0.00 175.29 173.34 3kir s GLU 34 N 0.72 2.95 -0.14 1.67 2.02 -1.26 -2.45 118.70 122.21 3kir s GLU 34 Ca 0.58 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.97 3kir s GLU 34 Cb -0.32 -2.78 0.07 0.00 0.10 0.00 0.00 34.13 31.20 3kir s GLU 34 CO 0.31 0.62 0.21 1.03 0.02 0.00 0.00 175.26 177.46 3kir s ARG 35 N -1.83 0.12 -0.35 1.61 0.52 0.04 -4.99 118.95 114.07 3kir s ARG 35 Ca 0.23 0.49 -0.26 0.00 -0.52 0.00 0.00 55.73 55.67 3kir s ARG 35 Cb -0.12 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.82 3kir s ARG 35 CO 0.15 -0.42 0.93 0.14 0.02 0.00 0.00 175.30 176.11 3kir s VAL 36 N 2.34 4.61 0.43 3.52 -7.23 -1.26 -2.33 120.40 120.48 3kir s VAL 36 Ca 0.04 1.29 0.04 0.00 -1.81 0.00 0.00 61.98 61.54 3kir s VAL 36 Cb -0.13 -4.31 -0.05 0.00 0.56 0.00 0.00 36.38 32.44 3kir s VAL 36 CO -0.09 -0.47 0.02 -0.76 -0.31 0.00 0.00 175.10 173.49 3kir s LEU 37 N 3.40 2.53 0.00 1.32 1.43 0.46 -4.97 118.68 122.86 3kir s LEU 37 Ca 0.38 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.99 3kir s LEU 37 Cb -0.12 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.37 3kir s LEU 37 CO 0.17 -0.64 0.00 -0.62 0.23 0.00 0.00 176.35 175.49 3kir n GLU 38 N -1.03 1.93 -0.33 1.70 -0.58 -1.26 -1.31 120.64 119.76 3kir n GLU 38 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3kir n GLU 38 Cb 0.67 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.54 3kir n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kir n ASP 39 N 0.00 0.00 -4.33 1.62 2.03 -1.26 -2.31 116.55 112.30 3kir n ASP 39 Ca 0.00 -0.86 -0.32 0.00 0.52 0.00 0.00 54.79 54.13 3kir n ASP 39 Cb 0.00 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.58 3kir n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3kir n THR 40 N 0.00 0.00 0.21 5.18 -2.24 -1.26 -4.75 114.28 111.42 3kir n THR 40 Ca 0.00 -0.31 0.06 0.00 -2.27 0.00 0.00 64.05 61.53 3kir n THR 40 Cb 0.43 -0.67 0.46 0.00 -2.10 0.00 0.00 70.33 68.45 3kir n THR 40 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kir h PRO 41 N -2.12 0.00 -0.11 -0.78 0.11 -2.00 -2.84 132.00 124.25 3kir h PRO 41 Ca -0.54 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 3kir h PRO 41 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3kir h PRO 41 CO 0.40 0.28 -0.33 0.00 -0.21 0.00 0.00 178.00 178.14 3kir h ALA 42 N 1.72 0.19 0.00 -0.75 0.00 -2.00 -0.88 119.26 117.54 3kir h ALA 42 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3kir h ALA 42 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kir h ALA 42 CO 0.04 0.24 0.00 -0.89 0.00 0.00 0.00 179.25 178.63 3kir n ILE 43 N -4.39 1.02 -0.06 0.00 2.08 -1.15 -1.53 119.36 115.33 3kir n ILE 43 Ca -0.07 0.43 -0.14 0.00 0.56 0.00 0.00 62.75 63.52 3kir n ILE 43 Cb 0.49 -1.37 -0.14 0.00 -0.75 0.00 0.00 39.64 37.88 3kir n ILE 43 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kir n ARG 44 N -2.10 0.68 -0.22 0.38 0.63 -1.08 -3.78 116.66 111.17 3kir n ARG 44 Ca 0.01 0.18 0.01 0.00 -0.92 0.00 0.00 57.85 57.13 3kir n ARG 44 Cb 0.14 -1.65 0.13 0.00 0.45 0.00 0.00 32.46 31.53 3kir n ARG 44 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3kir h GLY 45 N 2.74 0.95 2.00 5.14 0.00 -0.09 0.30 103.07 114.12 3kir h GLY 45 Ca -0.45 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kir h GLY 45 CO 0.03 -0.02 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3kir n ASN 46 N -4.97 0.26 -0.03 0.19 5.03 -1.13 -1.78 115.26 112.84 3kir n ASN 46 Ca 0.10 0.54 -0.13 0.00 0.87 0.00 0.00 54.58 55.97 3kir n ASN 46 Cb 0.30 -0.61 -0.14 0.00 -1.02 0.00 0.00 39.78 38.32 3kir n ASN 46 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3kir n VAL 47 N -1.76 1.63 -0.01 2.41 0.31 0.12 -3.68 118.33 117.35 3kir n VAL 47 Ca 0.05 -0.75 -0.12 0.00 -0.01 0.00 0.00 64.34 63.51 3kir n VAL 47 Cb 0.30 -1.20 -0.07 0.00 -0.91 0.00 0.00 33.84 31.95 3kir n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kir h GLU 48 N 0.02 0.11 -0.63 5.55 4.39 -0.31 -1.90 114.58 121.81 3kir h GLU 48 Ca -0.36 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.43 3kir h GLU 48 Cb 2.04 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.58 3kir h GLU 48 CO 0.07 0.34 0.11 -0.22 -1.16 0.00 0.00 179.01 178.15 3kir h LYS 49 N -0.14 0.22 -0.59 2.33 3.64 -1.50 -1.36 116.57 119.17 3kir h LYS 49 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3kir h LYS 49 Cb 0.29 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3kir h LYS 49 CO 0.00 0.15 0.00 1.33 -2.27 0.00 0.00 179.45 178.66 3kir n VAL 50 N -5.17 2.68 -0.38 2.00 0.24 -1.21 -4.68 118.33 111.82 3kir n VAL 50 Ca 0.10 -1.38 0.33 0.00 -2.04 0.00 0.00 64.34 61.34 3kir n VAL 50 Cb 0.36 -0.24 0.59 0.00 -1.47 0.00 0.00 33.84 33.08 3kir n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kir h ALA 51 N 4.04 2.37 0.00 2.33 0.00 -0.39 0.29 119.26 127.89 3kir h ALA 51 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kir h ALA 51 Cb 1.94 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3kir h ALA 51 CO 0.47 -1.06 0.00 -2.39 0.00 0.00 0.00 179.25 176.27 3kir n HIS 52 N -4.98 0.00 -0.01 0.00 1.44 -1.26 -3.05 115.22 107.37 3kir n HIS 52 Ca 0.37 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 56.09 3kir n HIS 52 Cb 1.30 -0.20 -0.04 0.00 0.12 0.00 0.00 29.99 31.17 3kir n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kir n LEU 53 N -1.20 0.00 -4.69 2.39 4.77 0.95 -4.84 117.00 114.38 3kir n LEU 53 Ca 0.13 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.86 3kir n LEU 53 Cb 0.15 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3kir n LEU 53 CO 0.16 0.03 -0.30 -0.69 -1.33 0.00 0.00 177.39 175.26 3kir s VAL 54 N -2.29 3.82 -0.20 4.08 1.01 -0.89 -0.25 120.40 125.68 3kir s VAL 54 Ca -0.02 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3kir s VAL 54 Cb 0.03 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.49 3kir s VAL 54 CO 0.21 -0.20 -0.07 -0.60 0.00 0.00 0.00 175.10 174.44 3kir s ARG 55 N -3.24 1.66 -0.03 2.72 3.52 -0.69 -4.79 118.95 118.09 3kir s ARG 55 Ca 0.29 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 55.10 3kir s ARG 55 Cb -0.08 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 3kir s ARG 55 CO 0.20 -0.49 0.15 0.08 -0.81 0.00 0.00 175.30 174.43 3kir s VAL 56 N 1.49 5.30 0.20 7.11 1.01 -1.26 -1.82 120.40 132.44 3kir s VAL 56 Ca -0.02 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 61.87 3kir s VAL 56 Cb -0.17 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 3kir s VAL 56 CO -0.07 0.39 -0.05 -0.70 0.00 0.00 0.00 175.10 174.66 3kir s GLU 57 N -1.71 1.25 -0.28 2.72 2.12 -0.50 -4.99 118.70 117.30 3kir s GLU 57 Ca 0.24 -1.60 -0.03 0.00 0.36 0.00 0.00 54.97 53.94 3kir s GLU 57 Cb -0.12 -0.69 0.03 0.00 0.26 0.00 0.00 34.13 33.60 3kir s GLU 57 CO 0.15 -0.01 0.01 0.08 -0.54 0.00 0.00 175.26 174.95 3kir s VAL 58 N -3.33 3.28 0.00 3.70 1.01 -1.26 -1.26 120.40 122.54 3kir s VAL 58 Ca 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3kir s VAL 58 Cb 0.04 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3kir s VAL 58 CO 0.06 0.06 0.42 0.52 0.00 0.00 0.00 175.10 176.15