#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i n ARG 3 N 0.00 0.13 -5.00 -0.52 1.74 -1.12 -4.02 116.66 107.86 3i8i n ARG 3 Ca 0.00 0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.81 3i8i n ARG 3 Cb 0.00 -1.20 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 3i8i n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i8i s LEU 4 N 4.00 2.52 -0.37 0.55 1.43 0.99 0.51 118.68 128.30 3i8i s LEU 4 Ca 0.59 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.36 3i8i s LEU 4 Cb -0.45 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.37 3i8i s LEU 4 CO 0.64 0.33 0.15 -0.75 0.23 0.00 0.00 176.35 176.95 3i8i s LYS 5 N -0.74 2.22 -0.09 1.70 2.20 0.24 -0.58 119.74 124.69 3i8i s LYS 5 Ca 0.11 -1.59 -0.02 0.00 -0.36 0.00 0.00 55.97 54.11 3i8i s LYS 5 Cb -0.10 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3i8i s LYS 5 CO 0.00 -0.91 0.00 0.14 -0.36 0.00 0.00 175.35 174.23 3i8i s VAL 6 N 1.22 4.32 -0.09 4.02 -7.23 -0.87 -1.65 120.40 120.11 3i8i s VAL 6 Ca 0.03 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 3i8i s VAL 6 Cb -0.22 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.92 3i8i s VAL 6 CO -0.02 0.60 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.53 3i8i s LYS 7 N -0.83 1.56 0.01 4.82 2.20 -0.55 -1.19 119.74 125.76 3i8i s LYS 7 Ca 0.13 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 3i8i s LYS 7 Cb -0.11 -1.48 -0.06 0.00 -1.51 0.00 0.00 37.83 34.66 3i8i s LYS 7 CO 0.02 -0.15 1.54 -1.17 -0.36 0.00 0.00 175.35 175.23 3i8i s LEU 8 N 1.27 4.33 -0.00 5.43 0.20 -1.09 -1.70 118.68 127.12 3i8i s LEU 8 Ca -0.03 2.25 0.03 0.00 0.69 0.00 0.00 54.13 57.07 3i8i s LEU 8 Cb -0.14 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.04 3i8i s LEU 8 CO -0.03 -0.82 0.10 1.33 -0.29 0.00 0.00 176.35 176.64 3i8i n VAL 9 N 4.87 0.00 -3.89 1.68 0.24 0.27 0.10 118.33 121.61 3i8i n VAL 9 Ca 0.15 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 3i8i n VAL 9 Cb 0.42 0.93 -0.15 0.00 -1.47 0.00 0.00 33.84 33.57 3i8i n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i8i s LYS 10 N -1.36 0.06 0.34 7.34 2.20 -0.72 -4.96 119.74 122.64 3i8i s LYS 10 Ca 0.01 0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.35 3i8i s LYS 10 Cb 0.02 -0.13 -0.11 0.00 -1.51 0.00 0.00 37.83 36.10 3i8i s LYS 10 CO 0.10 -0.03 1.49 0.45 -0.36 0.00 0.00 175.35 177.00 3i8i s SER 11 N 0.29 6.42 0.00 1.43 0.15 -1.26 -4.85 113.70 115.87 3i8i s SER 11 Ca -0.02 2.96 0.28 0.00 0.70 0.00 0.00 55.95 59.87 3i8i s SER 11 Cb -0.04 -2.65 1.07 0.00 -1.71 0.00 0.00 66.02 62.69 3i8i s SER 11 CO -0.01 -0.84 1.77 -0.81 1.20 0.00 0.00 173.24 174.55 3i8i n PRO 12 N 1.07 0.54 -1.49 5.44 -0.04 -1.26 -4.80 135.00 134.46 3i8i n PRO 12 Ca 0.03 -0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 3i8i n PRO 12 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 3i8i n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3i8i n ILE 13 N -1.04 0.00 0.00 0.52 2.08 -1.26 -0.19 119.36 119.46 3i8i n ILE 13 Ca 0.12 -0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.10 3i8i n ILE 13 Cb 0.30 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 3i8i n ILE 13 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i8i n GLY 14 N 6.14 0.30 3.90 7.39 0.00 -1.26 -5.14 105.19 116.52 3i8i n GLY 14 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 3i8i n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8i s TYR 15 N -0.58 3.38 0.28 1.61 1.51 0.73 -5.07 117.35 119.22 3i8i s TYR 15 Ca 0.00 0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 55.88 3i8i s TYR 15 Cb 0.00 -1.62 -0.16 0.00 -0.11 0.00 0.00 41.96 40.07 3i8i s TYR 15 CO 0.00 0.52 0.55 -2.30 -1.11 0.00 0.00 175.55 173.21 3i8i n PRO 16 N -0.46 0.34 0.30 -1.71 -0.02 -1.26 -4.66 135.00 127.53 3i8i n PRO 16 Ca -0.07 0.12 0.18 0.00 -2.02 0.00 0.00 63.50 61.71 3i8i n PRO 16 Cb 0.54 -1.24 1.00 0.00 -0.02 0.00 0.00 33.50 33.79 3i8i n PRO 16 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3i8i h LYS 17 N 1.06 0.00 -0.23 -0.52 5.09 -1.97 -0.40 116.57 119.59 3i8i h LYS 17 Ca -0.33 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.27 3i8i h LYS 17 Cb 1.42 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.75 3i8i h LYS 17 CO 0.55 0.00 -0.40 0.38 -2.09 0.00 0.00 179.45 177.89 3i8i h ASP 18 N 0.00 0.76 -0.40 7.07 2.03 -1.98 0.23 116.42 124.12 3i8i h ASP 18 Ca 0.01 -0.53 -0.02 0.00 -0.73 0.00 0.00 57.03 55.77 3i8i h ASP 18 Cb 0.12 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.38 3i8i h ASP 18 CO -0.00 1.14 0.19 1.56 -1.03 0.00 0.00 179.24 181.10 3i8i h GLN 19 N 0.39 0.58 -0.65 4.15 4.20 -1.45 0.43 115.11 122.77 3i8i h GLN 19 Ca 0.01 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.71 3i8i h GLN 19 Cb 1.00 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 3i8i h GLN 19 CO 0.09 0.51 0.43 0.87 -0.67 0.00 0.00 178.83 180.06 3i8i h LYS 20 N 0.51 0.59 -0.31 1.46 1.57 -1.05 -1.10 116.57 118.24 3i8i h LYS 20 Ca 0.14 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3i8i h LYS 20 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3i8i h LYS 20 CO -0.02 0.39 -0.03 0.00 -0.57 0.00 0.00 179.45 179.23 3i8i h ALA 21 N 1.65 0.43 -0.50 3.86 0.00 0.73 -2.95 119.26 122.48 3i8i h ALA 21 Ca 0.28 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.02 3i8i h ALA 21 Cb 0.33 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 3i8i h ALA 21 CO -0.09 0.21 0.11 0.00 0.00 0.00 0.00 179.25 179.48 3i8i h ALA 22 N 0.83 0.56 -0.94 0.00 0.00 0.32 0.49 119.26 120.52 3i8i h ALA 22 Ca 0.09 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.24 3i8i h ALA 22 Cb 0.49 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 3i8i h ALA 22 CO 0.02 -0.30 0.56 -0.07 0.00 0.00 0.00 179.25 179.46 3i8i h LEU 23 N 0.24 0.76 -0.42 0.00 -0.00 -1.37 0.54 115.31 115.07 3i8i h LEU 23 Ca 0.25 0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 58.17 3i8i h LEU 23 Cb 0.33 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 3i8i h LEU 23 CO -0.32 0.36 0.14 0.50 -0.00 0.00 0.00 178.44 179.12 3i8i h LYS 24 N 0.82 0.64 0.18 1.13 3.64 -0.35 0.80 116.57 123.43 3i8i h LYS 24 Ca 0.49 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3i8i h LYS 24 Cb 0.61 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3i8i h LYS 24 CO -0.31 0.62 -0.16 0.00 -2.27 0.00 0.00 179.45 177.33 3i8i h ALA 25 N 0.99 -0.33 0.00 5.00 0.00 0.24 0.81 119.26 125.97 3i8i h ALA 25 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i8i h ALA 25 Cb 0.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3i8i h ALA 25 CO -0.01 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.82 3i8i n LEU 26 N -5.28 0.06 -2.24 0.00 4.77 0.16 -4.81 117.00 109.67 3i8i n LEU 26 Ca -0.08 -0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 3i8i n LEU 26 Cb 0.20 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3i8i n LEU 26 CO 0.31 0.01 -0.25 0.61 -1.33 0.00 0.00 177.39 176.74 3i8i n GLY 27 N 0.03 -0.16 3.87 -0.72 0.00 0.28 -4.96 105.19 103.53 3i8i n GLY 27 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3i8i n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8i s LEU 28 N -5.73 4.37 0.00 0.99 1.43 0.27 -4.98 118.68 115.03 3i8i s LEU 28 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 3i8i s LEU 28 Cb 0.00 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.41 3i8i s LEU 28 CO 0.00 0.22 0.00 0.54 0.23 0.00 0.00 176.35 177.34 3i8i n ARG 29 N 1.08 0.00 -4.39 1.70 1.74 -1.26 -4.19 116.66 111.35 3i8i n ARG 29 Ca -0.10 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 3i8i n ARG 29 Cb 0.53 -0.42 -0.09 0.00 -1.02 0.00 0.00 32.46 31.46 3i8i n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i8i s ARG 30 N -1.45 1.97 0.40 5.56 0.52 -1.26 -5.08 118.95 119.61 3i8i s ARG 30 Ca 0.00 -1.66 -0.26 0.00 -0.52 0.00 0.00 55.73 53.29 3i8i s ARG 30 Cb 0.00 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.46 3i8i s ARG 30 CO 0.00 0.29 1.23 -0.51 0.02 0.00 0.00 175.30 176.34 3i8i s LEU 31 N -3.61 4.22 0.00 2.53 1.43 -1.26 -2.24 118.68 119.75 3i8i s LEU 31 Ca 0.32 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 3i8i s LEU 31 Cb -0.04 -3.94 0.00 0.00 0.03 0.00 0.00 46.19 42.24 3i8i s LEU 31 CO 0.18 -0.74 0.00 0.00 0.23 0.00 0.00 176.35 176.01 3i8i n GLN 32 N 0.15 0.00 -1.97 1.70 3.00 0.28 -4.94 117.38 115.61 3i8i n GLN 32 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 3i8i n GLN 32 Cb 0.45 -1.92 -0.03 0.00 0.00 0.00 0.00 30.24 28.74 3i8i n GLN 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 3i8i s GLN 33 N -0.01 4.20 -0.17 -1.09 0.74 -0.95 -4.73 119.66 117.66 3i8i s GLN 33 Ca 0.00 2.28 -0.04 0.00 0.05 0.00 0.00 55.36 57.64 3i8i s GLN 33 Cb 0.00 -3.66 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3i8i s GLN 33 CO 0.00 -0.73 -0.03 -1.21 -0.55 0.00 0.00 175.29 172.77 3i8i s GLU 34 N 2.83 3.65 -0.02 1.67 2.02 -1.26 -2.69 118.70 124.89 3i8i s GLU 34 Ca 0.73 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 55.24 3i8i s GLU 34 Cb -0.38 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.88 3i8i s GLU 34 CO 0.31 0.16 -0.14 1.03 0.02 0.00 0.00 175.26 176.65 3i8i s ARG 35 N 0.58 1.26 -0.27 1.61 0.52 -0.34 -4.98 118.95 117.34 3i8i s ARG 35 Ca -0.02 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.60 3i8i s ARG 35 Cb -0.14 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 3i8i s ARG 35 CO 0.02 0.25 0.17 0.14 0.02 0.00 0.00 175.30 175.91 3i8i s VAL 36 N -0.13 5.25 0.04 3.52 -7.23 -1.25 -2.05 120.40 118.54 3i8i s VAL 36 Ca 0.01 0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.35 3i8i s VAL 36 Cb -0.08 -3.48 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 3i8i s VAL 36 CO 0.00 0.29 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.25 3i8i s LEU 37 N 1.54 2.28 0.14 1.32 1.43 0.25 -4.88 118.68 120.76 3i8i s LEU 37 Ca 0.07 -0.59 -0.35 0.00 -1.03 0.00 0.00 54.13 52.24 3i8i s LEU 37 Cb -0.15 -0.13 -0.15 0.00 0.03 0.00 0.00 46.19 45.78 3i8i s LEU 37 CO 0.09 -0.24 1.37 -0.62 0.23 0.00 0.00 176.35 177.18 3i8i n GLU 38 N 1.33 1.49 0.00 1.70 4.71 -1.26 -0.01 120.64 128.61 3i8i n GLU 38 Ca -0.22 0.54 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 3i8i n GLU 38 Cb 0.55 -2.18 0.00 0.00 -1.01 0.00 0.00 31.44 28.80 3i8i n GLU 38 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3i8i n ASP 39 N 2.59 0.19 -4.73 1.62 2.03 -1.26 -4.74 116.55 112.25 3i8i n ASP 39 Ca 0.17 -0.25 -0.35 0.00 0.52 0.00 0.00 54.79 54.88 3i8i n ASP 39 Cb 0.24 -0.06 0.08 0.00 -0.72 0.00 0.00 41.12 40.65 3i8i n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3i8i s THR 40 N -0.49 2.34 0.34 5.18 -4.23 -1.26 -4.78 115.64 112.75 3i8i s THR 40 Ca 0.00 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 3i8i s THR 40 Cb 0.00 -2.86 0.24 0.00 1.34 0.00 0.00 72.50 71.22 3i8i s THR 40 CO 0.00 -0.08 1.98 -0.65 -0.54 0.00 0.00 174.62 175.34 3i8i h PRO 41 N 0.08 0.80 -0.30 3.99 0.11 -1.98 0.19 132.00 134.89 3i8i h PRO 41 Ca -0.49 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 3i8i h PRO 41 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i8i h PRO 41 CO 0.51 0.57 -0.28 0.00 -0.21 0.00 0.00 178.00 178.59 3i8i h ALA 42 N 1.57 0.95 0.04 -0.75 0.00 -1.95 0.18 119.26 119.31 3i8i h ALA 42 Ca 0.21 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 3i8i h ALA 42 Cb -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i8i h ALA 42 CO -0.04 0.61 -1.06 0.82 0.00 0.00 0.00 179.25 179.58 3i8i h ILE 43 N 0.53 1.30 -0.89 0.00 1.08 -1.72 -3.22 117.51 114.60 3i8i h ILE 43 Ca 0.07 -2.30 0.02 0.00 -0.39 0.00 0.00 64.86 62.26 3i8i h ILE 43 Cb 0.75 2.53 -0.05 0.00 -3.07 0.00 0.00 36.82 36.99 3i8i h ILE 43 CO 0.06 0.70 0.59 0.03 -0.69 0.00 0.00 178.15 178.84 3i8i h ARG 44 N 0.28 1.15 -0.59 2.37 3.08 -0.38 -2.01 114.38 118.28 3i8i h ARG 44 Ca -0.14 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 59.96 3i8i h ARG 44 Cb 1.73 -0.26 -0.11 0.00 0.08 0.00 0.00 29.97 31.41 3i8i h ARG 44 CO 0.21 0.76 -0.11 0.78 -1.07 0.00 0.00 179.97 180.53 3i8i h GLY 45 N 1.18 0.48 1.36 0.04 0.00 -0.65 -1.63 103.07 103.85 3i8i h GLY 45 Ca 0.34 0.17 -0.25 0.00 0.00 0.00 0.00 47.33 47.59 3i8i h GLY 45 CO -0.09 -0.22 -1.02 3.43 0.00 0.00 0.00 176.54 178.64 3i8i h ASN 46 N 0.02 0.74 -0.38 0.19 -0.26 -1.59 -2.42 115.58 111.88 3i8i h ASN 46 Ca 0.29 -0.60 0.08 0.00 -0.56 0.00 0.00 56.30 55.51 3i8i h ASN 46 Cb 0.45 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 3i8i h ASN 46 CO -0.59 1.41 0.26 0.58 -1.06 0.00 0.00 177.43 178.03 3i8i h VAL 47 N 0.31 0.88 0.00 2.81 2.07 -0.65 -1.34 116.25 120.34 3i8i h VAL 47 Ca -0.11 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3i8i h VAL 47 Cb 1.67 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3i8i h VAL 47 CO 0.19 0.03 -1.36 -0.62 0.02 0.00 0.00 177.57 175.83 3i8i n GLU 48 N -4.46 0.62 0.01 1.57 1.02 -0.68 -2.30 120.64 116.42 3i8i n GLU 48 Ca 0.05 0.10 -0.04 0.00 -0.02 0.00 0.00 57.16 57.25 3i8i n GLU 48 Cb 0.35 -1.76 0.19 0.00 -0.02 0.00 0.00 31.44 30.20 3i8i n GLU 48 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i8i h LYS 49 N 0.00 0.51 -0.57 3.49 3.64 -0.74 -2.08 116.57 120.82 3i8i h LYS 49 Ca -0.08 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i8i h LYS 49 Cb 1.24 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3i8i h LYS 49 CO 0.02 0.72 0.00 1.33 -2.27 0.00 0.00 179.45 179.24 3i8i n VAL 50 N -4.12 1.28 -0.19 2.00 0.24 -0.84 -4.73 118.33 111.96 3i8i n VAL 50 Ca -0.00 -1.10 -0.05 0.00 -2.04 0.00 0.00 64.34 61.14 3i8i n VAL 50 Cb 0.40 0.37 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 3i8i n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8i n ALA 51 N 1.04 -0.29 0.00 2.33 0.00 -0.78 0.14 120.51 122.95 3i8i n ALA 51 Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3i8i n ALA 51 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i8i n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i8i n HIS 52 N -4.52 0.00 0.00 0.00 1.44 -1.26 -1.50 115.22 109.37 3i8i n HIS 52 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 3i8i n HIS 52 Cb 0.12 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.23 3i8i n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i8i n LEU 53 N -0.67 0.00 -4.14 2.39 4.77 0.38 -4.87 117.00 114.86 3i8i n LEU 53 Ca 0.00 -0.24 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 3i8i n LEU 53 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 3i8i n LEU 53 CO 0.00 0.00 -0.44 0.54 -1.33 0.00 0.00 177.39 176.16 3i8i s VAL 54 N -0.83 0.94 -0.27 4.08 0.11 -0.56 -0.56 120.40 123.30 3i8i s VAL 54 Ca 0.00 -1.30 -0.10 0.00 -2.93 0.00 0.00 61.98 57.65 3i8i s VAL 54 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3i8i s VAL 54 CO 0.00 -0.32 0.16 -0.60 -3.33 0.00 0.00 175.10 171.00 3i8i s ARG 55 N -1.87 3.85 0.12 1.54 3.52 -0.69 -4.81 118.95 120.62 3i8i s ARG 55 Ca -0.03 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 3i8i s ARG 55 Cb -0.09 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3i8i s ARG 55 CO 0.01 -0.19 0.05 0.08 -0.81 0.00 0.00 175.30 174.45 3i8i s VAL 56 N 1.72 4.20 -0.27 7.11 1.01 -1.26 -1.49 120.40 131.42 3i8i s VAL 56 Ca 0.07 -1.03 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3i8i s VAL 56 Cb -0.16 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.24 3i8i s VAL 56 CO 0.09 0.03 0.75 -0.70 0.00 0.00 0.00 175.10 175.26 3i8i s GLU 57 N -2.62 0.79 0.22 2.72 2.12 -0.66 -4.97 118.70 116.30 3i8i s GLU 57 Ca 0.28 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.31 3i8i s GLU 57 Cb -0.11 0.36 -0.08 0.00 0.26 0.00 0.00 34.13 34.55 3i8i s GLU 57 CO 0.20 -0.10 1.13 0.08 -0.54 0.00 0.00 175.26 176.03 3i8i s VAL 58 N 0.54 3.63 0.13 3.70 1.01 -1.26 0.81 120.40 128.95 3i8i s VAL 58 Ca -0.01 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.49 3i8i s VAL 58 Cb -0.05 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3i8i s VAL 58 CO -0.03 0.29 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 3i8i s VAL 59 N -0.54 1.11 -2.00 2.92 1.01 0.18 -4.85 120.40 118.24 3i8i s VAL 59 Ca 0.49 -1.92 0.29 0.00 0.00 0.00 0.00 61.98 60.83 3i8i s VAL 59 Cb -0.31 -1.70 0.82 0.00 0.00 0.00 0.00 36.38 35.19 3i8i s VAL 59 CO 0.38 -0.68 2.05 1.21 0.00 0.00 0.00 175.10 178.06