#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw0 n ASP 2 N 0.00 1.08 -0.83 1.61 5.75 -0.42 -5.00 116.55 118.74 1dw0 n ASP 2 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1dw0 n ASP 2 Cb 0.00 0.85 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 1dw0 n ASP 2 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dw0 n THR 3 N -1.04 0.00 -4.03 2.12 5.66 -0.78 -4.95 114.28 111.26 1dw0 n THR 3 Ca 0.04 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.95 1dw0 n THR 3 Cb 0.30 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.00 1dw0 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw0 s SER 4 N -0.61 0.12 0.23 1.09 1.04 -1.25 -4.53 113.70 109.79 1dw0 s SER 4 Ca 0.00 -1.00 -0.06 0.00 0.48 0.00 0.00 55.95 55.37 1dw0 s SER 4 Cb 0.00 0.40 0.33 0.00 0.10 0.00 0.00 66.02 66.85 1dw0 s SER 4 CO 0.00 -0.85 1.82 -0.65 0.98 0.00 0.00 173.24 174.54 1dw0 h PRO 5 N 2.63 0.78 -0.31 4.02 0.11 -1.79 -1.30 132.00 136.15 1dw0 h PRO 5 Ca -0.33 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1dw0 h PRO 5 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1dw0 h PRO 5 CO 0.51 0.52 -0.38 0.00 -0.21 0.00 0.00 178.00 178.44 1dw0 h ALA 6 N 1.41 0.76 -0.59 -0.75 0.00 -1.96 -0.51 119.26 117.62 1dw0 h ALA 6 Ca 0.36 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1dw0 h ALA 6 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1dw0 h ALA 6 CO -0.21 0.66 0.12 1.96 0.00 0.00 0.00 179.25 181.78 1dw0 h GLN 7 N 0.59 0.95 -0.20 0.00 4.20 -1.83 -0.49 115.11 118.33 1dw0 h GLN 7 Ca 0.05 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1dw0 h GLN 7 Cb 0.91 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1dw0 h GLN 7 CO 0.08 0.89 0.03 -0.07 -0.67 0.00 0.00 178.83 179.10 1dw0 h LEU 8 N 0.86 0.32 -0.21 1.46 3.38 -1.01 -2.09 115.31 118.01 1dw0 h LEU 8 Ca 0.18 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1dw0 h LEU 8 Cb 0.38 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1dw0 h LEU 8 CO 0.01 0.49 0.06 0.40 0.09 0.00 0.00 178.44 179.49 1dw0 h ILE 9 N 0.13 0.93 -0.67 1.22 2.04 -0.98 -1.18 117.51 119.00 1dw0 h ILE 9 Ca 0.06 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.90 1dw0 h ILE 9 Cb 0.31 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1dw0 h ILE 9 CO 0.00 0.03 0.44 0.00 0.00 0.00 0.00 178.15 178.63 1dw0 h ALA 10 N 1.14 1.63 -0.25 1.87 0.00 -1.01 0.44 119.26 123.08 1dw0 h ALA 10 Ca 0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1dw0 h ALA 10 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1dw0 h ALA 10 CO -0.10 0.30 -0.44 0.78 0.00 0.00 0.00 179.25 179.79 1dw0 h GLY 11 N 0.80 0.67 1.37 0.00 0.00 -0.94 -1.88 103.07 103.10 1dw0 h GLY 11 Ca 0.27 -0.70 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 1dw0 h GLY 11 CO -0.08 0.63 -0.83 -0.97 0.00 0.00 0.00 176.54 175.30 1dw0 h TYR 12 N 0.50 0.84 -0.93 5.60 0.99 -0.44 -2.72 116.97 120.82 1dw0 h TYR 12 Ca 0.04 -0.40 0.04 0.00 2.00 0.00 0.00 58.73 60.40 1dw0 h TYR 12 Cb 0.96 -0.12 -0.05 0.00 1.00 0.00 0.00 36.73 38.52 1dw0 h TYR 12 CO 0.04 1.21 0.60 0.93 -0.00 0.00 0.00 178.16 180.94 1dw0 h GLU 13 N 0.39 1.13 -0.49 4.88 5.08 -0.85 0.01 114.58 124.73 1dw0 h GLU 13 Ca -0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1dw0 h GLU 13 Cb 1.45 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1dw0 h GLU 13 CO 0.16 0.75 0.24 0.00 -1.00 0.00 0.00 179.01 179.15 1dw0 h ALA 14 N 1.38 0.63 0.00 3.43 0.00 -1.22 -0.13 119.26 123.35 1dw0 h ALA 14 Ca 0.37 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1dw0 h ALA 14 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1dw0 h ALA 14 CO -0.12 0.19 -0.50 0.00 0.00 0.00 0.00 179.25 178.82 1dw0 h ALA 15 N 1.08 1.02 0.00 0.00 0.00 -1.13 -3.12 119.26 117.10 1dw0 h ALA 15 Ca 0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1dw0 h ALA 15 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dw0 h ALA 15 CO -0.02 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.51 1dw0 h ALA 16 N 1.50 0.79 -0.12 0.00 0.00 -0.68 -3.48 119.26 117.27 1dw0 h ALA 16 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1dw0 h ALA 16 Cb 0.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1dw0 h ALA 16 CO 0.06 0.42 -0.05 0.41 0.00 0.00 0.00 179.25 180.10 1dw0 n GLY 17 N 1.15 0.57 3.45 0.00 0.00 -0.09 -4.89 105.19 105.38 1dw0 n GLY 17 Ca 0.03 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1dw0 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw0 s ALA 18 N -2.08 -1.60 0.61 4.61 0.00 -1.13 -5.06 121.76 117.12 1dw0 s ALA 18 Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1dw0 s ALA 18 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 1dw0 s ALA 18 CO 0.00 -0.56 1.06 -1.25 0.00 0.00 0.00 175.76 175.01 1dw0 s PRO 19 N -2.47 3.25 0.66 0.00 0.04 -1.26 -4.56 135.00 130.66 1dw0 s PRO 19 Ca -0.05 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 1dw0 s PRO 19 Cb -0.01 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1dw0 s PRO 19 CO -0.02 -0.86 1.18 0.00 0.04 0.00 0.00 177.00 177.34 1dw0 s ALA 20 N -2.51 2.38 -0.24 8.56 0.00 -1.26 -4.96 121.76 123.72 1dw0 s ALA 20 Ca 0.63 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 53.41 1dw0 s ALA 20 Cb -0.16 -3.42 0.07 0.00 0.00 0.00 0.00 23.12 19.61 1dw0 s ALA 20 CO 0.39 -1.43 0.02 0.34 0.00 0.00 0.00 175.76 175.09 1dw0 s ASP 21 N -2.02 3.60 0.44 0.00 -1.08 -1.26 -4.96 116.67 111.38 1dw0 s ASP 21 Ca 0.73 -1.21 0.20 0.00 -0.52 0.00 0.00 52.55 51.75 1dw0 s ASP 21 Cb -0.27 -0.90 1.01 0.00 -1.46 0.00 0.00 42.92 41.30 1dw0 s ASP 21 CO 0.39 -0.32 1.91 0.00 0.52 0.00 0.00 175.17 177.68 1dw0 h ALA 22 N 8.08 1.29 -0.40 3.66 0.00 -1.90 -1.65 119.26 128.35 1dw0 h ALA 22 Ca -0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1dw0 h ALA 22 Cb 1.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1dw0 h ALA 22 CO 0.40 0.32 0.20 1.49 0.00 0.00 0.00 179.25 181.66 1dw0 h GLU 23 N 0.00 0.57 -0.62 0.00 4.81 -1.95 0.12 114.58 117.51 1dw0 h GLU 23 Ca -0.00 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1dw0 h GLU 23 Cb 0.56 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1dw0 h GLU 23 CO 0.03 0.50 0.05 0.00 -0.73 0.00 0.00 179.01 178.87 1dw0 h ARG 24 N 0.51 1.05 -0.18 1.92 3.08 -1.82 -2.04 114.38 116.91 1dw0 h ARG 24 Ca 0.14 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1dw0 h ARG 24 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1dw0 h ARG 24 CO -0.02 0.99 0.08 0.78 -1.07 0.00 0.00 179.97 180.73 1dw0 h GLY 25 N 1.02 0.28 0.50 0.04 0.00 -0.95 -1.65 103.07 102.31 1dw0 h GLY 25 Ca 0.18 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.44 1dw0 h GLY 25 CO 0.02 0.14 0.13 -0.09 0.00 0.00 0.00 176.54 176.74 1dw0 h ARG 26 N 0.14 0.28 -0.87 4.80 2.43 -0.68 -0.41 114.38 120.07 1dw0 h ARG 26 Ca 0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1dw0 h ARG 26 Cb 0.15 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.60 1dw0 h ARG 26 CO -0.01 0.19 0.46 0.00 -1.51 0.00 0.00 179.97 179.10 1dw0 h ALA 27 N 1.33 1.12 -0.36 2.80 0.00 -1.22 -0.99 119.26 121.94 1dw0 h ALA 27 Ca 0.22 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1dw0 h ALA 27 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dw0 h ALA 27 CO -0.26 0.64 -0.13 1.25 0.00 0.00 0.00 179.25 180.76 1dw0 h LEU 28 N 1.22 0.74 -0.75 0.00 5.85 -0.98 -1.61 115.31 119.79 1dw0 h LEU 28 Ca 0.30 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1dw0 h LEU 28 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1dw0 h LEU 28 CO -0.05 0.96 0.27 0.15 -0.34 0.00 0.00 178.44 179.43 1dw0 h PHE 29 N 0.52 1.18 0.00 1.25 3.57 -0.75 -2.82 116.94 119.89 1dw0 h PHE 29 Ca 0.09 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1dw0 h PHE 29 Cb 0.65 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1dw0 h PHE 29 CO 0.05 0.91 -0.17 1.28 -2.23 0.00 0.00 178.31 178.16 1dw0 n LEU 30 N -4.28 0.54 -4.73 0.59 4.77 -0.40 -3.48 117.00 110.00 1dw0 n LEU 30 Ca 0.06 0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 56.14 1dw0 n LEU 30 Cb 0.21 -0.33 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1dw0 n LEU 30 CO 0.41 -0.08 0.76 -0.94 -1.33 0.00 0.00 177.39 176.21 1dw0 s SER 31 N -3.90 4.27 -0.25 -1.43 1.04 -0.61 -4.93 113.70 107.89 1dw0 s SER 31 Ca 0.11 2.20 -0.12 0.00 0.48 0.00 0.00 55.95 58.62 1dw0 s SER 31 Cb 0.15 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.65 1dw0 s SER 31 CO 0.61 -2.20 0.24 -0.89 0.98 0.00 0.00 173.24 171.98 1dw0 s THR 32 N -2.24 5.29 0.05 2.02 2.01 -1.26 -4.42 115.64 117.10 1dw0 s THR 32 Ca 0.70 0.31 0.02 0.00 0.31 0.00 0.00 61.69 63.03 1dw0 s THR 32 Cb -0.25 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1dw0 s THR 32 CO 0.47 0.27 0.10 -1.10 -0.69 0.00 0.00 174.62 173.66 1dw0 s GLN 33 N 1.51 3.02 0.00 4.92 -1.52 0.61 -5.03 119.66 123.17 1dw0 s GLN 33 Ca 0.10 -0.59 0.09 0.00 -1.95 0.00 0.00 55.36 53.01 1dw0 s GLN 33 Cb -0.15 -2.81 0.04 0.00 -0.22 0.00 0.00 33.01 29.86 1dw0 s GLN 33 CO 0.08 0.60 0.69 0.25 -0.25 0.00 0.00 175.29 176.66 1dw0 n THR 34 N 0.65 0.00 0.65 -0.19 -2.24 -1.26 -4.74 114.28 107.15 1dw0 n THR 34 Ca -0.09 -0.46 0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1dw0 n THR 34 Cb 0.52 1.15 0.12 0.00 -2.10 0.00 0.00 70.33 70.02 1dw0 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw0 n GLY 35 N 0.65 1.02 0.00 3.38 0.00 -1.26 -4.99 105.19 103.99 1dw0 n GLY 35 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1dw0 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw0 n GLY 36 N 1.21 2.93 3.77 -0.02 0.00 -1.17 -4.05 105.19 107.86 1dw0 n GLY 36 Ca 0.14 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 1dw0 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw0 s LYS 37 N 4.11 4.10 0.48 1.61 3.01 0.11 -4.92 119.74 128.25 1dw0 s LYS 37 Ca 0.00 1.71 0.18 0.00 -1.01 0.00 0.00 55.97 56.85 1dw0 s LYS 37 Cb 0.00 -2.63 1.17 0.00 -1.01 0.00 0.00 37.83 35.36 1dw0 s LYS 37 CO 0.00 -0.24 2.04 -1.00 0.51 0.00 0.00 175.35 176.66 1dw0 h PRO 38 N 2.61 0.00 -0.00 -1.68 0.13 -1.97 -2.36 132.00 128.72 1dw0 h PRO 38 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1dw0 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dw0 h PRO 38 CO 0.62 0.14 -0.12 -0.40 -0.23 0.00 0.00 178.00 178.01 1dw0 n ASP 39 N -4.18 0.49 -3.55 1.44 5.75 -1.26 -4.29 116.55 110.94 1dw0 n ASP 39 Ca -0.02 -0.56 -0.27 0.00 -0.01 0.00 0.00 54.79 53.92 1dw0 n ASP 39 Cb 0.21 -0.07 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1dw0 n ASP 39 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dw0 n THR 40 N -0.96 0.11 0.35 2.12 -2.24 -0.89 -4.94 114.28 107.84 1dw0 n THR 40 Ca 0.14 -4.13 0.14 0.00 -2.27 0.00 0.00 64.05 57.93 1dw0 n THR 40 Cb 0.28 -1.91 0.56 0.00 -2.10 0.00 0.00 70.33 67.17 1dw0 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw0 h PRO 41 N 5.27 0.00 -3.63 -0.78 0.13 -1.75 -3.37 132.00 127.87 1dw0 h PRO 41 Ca 0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.26 1dw0 h PRO 41 Cb 0.83 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.84 1dw0 h PRO 41 CO 0.54 0.00 -0.20 0.45 -0.23 0.00 0.00 178.00 178.55 1dw0 s SER 42 N -4.94 -0.07 0.52 1.44 0.15 -1.26 -0.29 113.70 109.26 1dw0 s SER 42 Ca 0.03 -0.59 0.17 0.00 0.70 0.00 0.00 55.95 56.26 1dw0 s SER 42 Cb 0.09 0.44 1.30 0.00 -1.71 0.00 0.00 66.02 66.15 1dw0 s SER 42 CO 0.48 -0.86 2.15 0.00 1.20 0.00 0.00 173.24 176.20 1dw0 h THR 44 N 0.00 0.00 -0.70 0.00 2.02 -1.78 -1.93 112.91 110.52 1dw0 h THR 44 Ca 0.01 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.90 1dw0 h THR 44 Cb 0.03 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.60 1dw0 h THR 44 CO -0.00 0.00 0.46 0.74 0.37 0.00 0.00 175.52 177.09 1dw0 h THR 45 N 0.00 1.05 0.00 3.16 2.02 -1.60 0.44 112.91 117.98 1dw0 h THR 45 Ca 0.00 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.75 1dw0 h THR 45 Cb 0.41 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1dw0 h THR 45 CO 0.00 0.14 -1.64 0.00 0.37 0.00 0.00 175.52 174.39 1dw0 n HIS 47 N -2.38 0.00 -0.16 0.00 8.25 -0.74 0.13 115.22 120.32 1dw0 n HIS 47 Ca -0.16 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.32 1dw0 n HIS 47 Cb 0.80 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.85 1dw0 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw0 n GLY 48 N 1.45 -1.79 0.15 -1.41 0.00 0.14 -4.52 105.19 99.21 1dw0 n GLY 48 Ca 0.07 -1.47 0.10 0.00 0.00 0.00 0.00 46.02 44.72 1dw0 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw0 h ALA 49 N -0.15 0.67 -3.10 4.61 0.00 -1.96 -3.40 119.26 115.93 1dw0 h ALA 49 Ca -0.01 -0.09 -0.70 0.00 0.00 0.00 0.00 54.91 54.12 1dw0 h ALA 49 Cb 0.14 0.02 -0.33 0.00 0.00 0.00 0.00 17.79 17.62 1dw0 h ALA 49 CO 0.00 0.10 -0.55 0.34 0.00 0.00 0.00 179.25 179.15 1dw0 s ASP 50 N -5.70 5.29 0.00 0.00 3.68 -1.26 -4.98 116.67 113.71 1dw0 s ASP 50 Ca 0.02 -1.85 0.11 0.00 2.13 0.00 0.00 52.55 52.95 1dw0 s ASP 50 Cb 0.08 -1.85 0.66 0.00 -1.45 0.00 0.00 42.92 40.36 1dw0 s ASP 50 CO 0.75 -0.52 1.28 1.33 0.13 0.00 0.00 175.17 178.15 1dw0 n VAL 51 N 4.66 0.00 1.11 1.11 0.24 -1.26 -2.23 118.33 121.96 1dw0 n VAL 51 Ca -0.05 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.38 1dw0 n VAL 51 Cb 0.42 -0.30 0.53 0.00 -1.47 0.00 0.00 33.84 33.01 1dw0 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw0 n THR 52 N -0.71 0.00 -3.93 3.34 -2.24 -1.26 -1.68 114.28 107.79 1dw0 n THR 52 Ca 0.08 -0.01 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1dw0 n THR 52 Cb 0.04 -0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1dw0 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw0 s ARG 53 N -2.87 3.25 0.58 -0.78 1.81 -0.95 -4.82 118.95 115.17 1dw0 s ARG 53 Ca 0.17 -0.89 -0.19 0.00 -1.72 0.00 0.00 55.73 53.11 1dw0 s ARG 53 Cb 0.19 -2.79 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 1dw0 s ARG 53 CO 0.56 0.36 1.15 0.00 -0.68 0.00 0.00 175.30 176.70 1dw0 s ALA 54 N -2.06 2.61 0.00 2.13 0.00 -1.26 -4.11 121.76 119.07 1dw0 s ALA 54 Ca 0.35 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.17 1dw0 s ALA 54 Cb -0.09 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1dw0 s ALA 54 CO 0.28 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.47 1dw0 n GLY 55 N 0.20 4.87 3.53 0.00 0.00 -0.34 -4.85 105.19 108.59 1dw0 n GLY 55 Ca 0.12 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 1dw0 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw0 s GLN 56 N 0.80 0.75 1.10 1.61 0.00 0.12 -1.58 119.66 122.46 1dw0 s GLN 56 Ca 0.00 -0.14 -0.17 0.00 -0.00 0.00 0.00 55.36 55.05 1dw0 s GLN 56 Cb 0.00 0.35 0.24 0.00 0.00 0.00 0.00 33.01 33.60 1dw0 s GLN 56 CO 0.00 -0.30 1.15 0.95 0.00 0.00 0.00 175.29 177.09 1dw0 s THR 57 N -2.44 1.77 0.56 3.63 -4.23 0.35 -4.32 115.64 110.96 1dw0 s THR 57 Ca 0.03 0.00 0.35 0.00 -1.18 0.00 0.00 61.69 60.88 1dw0 s THR 57 Cb -0.01 -2.60 0.38 0.00 1.34 0.00 0.00 72.50 71.61 1dw0 s THR 57 CO -0.05 0.00 2.25 0.03 -0.54 0.00 0.00 174.62 176.31 1dw0 h ARG 58 N -2.21 0.00 -0.02 3.99 3.08 -1.93 -1.09 114.38 116.20 1dw0 h ARG 58 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1dw0 h ARG 58 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1dw0 h ARG 58 CO 0.41 0.02 -0.05 0.25 -1.07 0.00 0.00 179.97 179.54 1dw0 n THR 59 N -3.49 0.00 -0.20 2.04 -2.24 -1.26 -4.95 114.28 104.17 1dw0 n THR 59 Ca -0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1dw0 n THR 59 Cb 0.12 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1dw0 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw0 n GLY 60 N 1.29 0.86 3.73 3.38 0.00 -0.41 -5.07 105.19 108.98 1dw0 n GLY 60 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1dw0 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw0 s LYS 61 N -0.80 4.68 0.47 1.61 3.01 -1.26 -4.72 119.74 122.73 1dw0 s LYS 61 Ca 0.00 1.54 -0.24 0.00 -1.01 0.00 0.00 55.97 56.26 1dw0 s LYS 61 Cb 0.00 -3.34 -0.07 0.00 -1.01 0.00 0.00 37.83 33.41 1dw0 s LYS 61 CO 0.00 0.20 1.30 -2.00 0.51 0.00 0.00 175.35 175.36 1dw0 s GLU 62 N -0.22 3.61 -0.07 1.68 2.56 -1.26 -0.50 118.70 124.51 1dw0 s GLU 62 Ca 0.47 2.12 0.04 0.00 0.00 0.00 0.00 54.97 57.60 1dw0 s GLU 62 Cb -0.25 -2.50 -0.00 0.00 2.00 0.00 0.00 34.13 33.38 1dw0 s GLU 62 CO 0.32 -0.77 -0.21 0.42 -0.56 0.00 0.00 175.26 174.46 1dw0 s ILE 63 N -1.34 1.74 0.69 -3.70 1.01 -0.61 -4.80 121.20 114.19 1dw0 s ILE 63 Ca 0.64 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 1dw0 s ILE 63 Cb -0.37 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1dw0 s ILE 63 CO 0.46 0.49 1.27 0.00 0.00 0.00 0.00 174.94 177.16 1dw0 s ALA 64 N 0.15 2.25 0.30 9.38 0.00 -1.26 -1.19 121.76 131.38 1dw0 s ALA 64 Ca -0.09 1.12 -0.27 0.00 0.00 0.00 0.00 51.96 52.71 1dw0 s ALA 64 Cb -0.15 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.30 1dw0 s ALA 64 CO 0.05 -1.76 0.96 -2.30 0.00 0.00 0.00 175.76 172.71 1dw0 n PRO 65 N -2.24 1.23 0.19 0.00 -0.02 -1.26 -4.52 135.00 128.37 1dw0 n PRO 65 Ca 0.15 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1dw0 n PRO 65 Cb 0.49 -1.79 0.30 0.00 -0.02 0.00 0.00 33.50 32.48 1dw0 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw0 h LEU 66 N 1.84 0.00 -9.59 2.45 3.38 -1.65 -3.41 115.31 108.32 1dw0 h LEU 66 Ca -0.39 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.05 1dw0 h LEU 66 Cb 1.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.12 1dw0 h LEU 66 CO 0.60 0.00 0.62 0.00 0.09 0.00 0.00 178.44 179.75 1dw0 s ALA 67 N -3.23 3.49 0.47 1.53 0.00 -0.68 -4.92 121.76 118.42 1dw0 s ALA 67 Ca 0.07 1.01 0.20 0.00 0.00 0.00 0.00 51.96 53.24 1dw0 s ALA 67 Cb 0.08 -3.47 1.24 0.00 0.00 0.00 0.00 23.12 20.96 1dw0 s ALA 67 CO 0.63 -0.49 2.06 -1.35 0.00 0.00 0.00 175.76 176.61 1dw0 h PRO 68 N 6.05 0.00 0.00 0.00 0.11 -1.76 -0.48 132.00 135.91 1dw0 h PRO 68 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1dw0 h PRO 68 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dw0 h PRO 68 CO 0.80 0.13 -0.06 0.66 -0.21 0.00 0.00 178.00 179.31 1dw0 h SER 69 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.17 113.55 111.07 1dw0 h SER 69 Ca -0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.03 1dw0 h SER 69 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 1dw0 h SER 69 CO 0.02 0.06 -2.20 0.00 -0.87 0.00 0.00 176.83 173.83 1dw0 n ALA 70 N -2.47 1.72 -3.70 5.18 0.00 -0.61 -4.83 120.51 115.81 1dw0 n ALA 70 Ca -0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 53.44 52.02 1dw0 n ALA 70 Cb 0.14 -0.22 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 1dw0 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw0 s THR 71 N -2.58 1.28 0.47 0.00 2.01 -0.29 -4.94 115.64 111.58 1dw0 s THR 71 Ca -0.09 -2.39 0.27 0.00 0.31 0.00 0.00 61.69 59.79 1dw0 s THR 71 Cb 0.07 -1.90 0.46 0.00 0.01 0.00 0.00 72.50 71.13 1dw0 s THR 71 CO 0.76 -0.88 1.80 -0.65 -0.69 0.00 0.00 174.62 174.96 1dw0 h PRO 72 N 6.88 0.19 -0.66 4.92 0.11 -1.84 -2.71 132.00 138.90 1dw0 h PRO 72 Ca -0.02 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1dw0 h PRO 72 Cb 0.94 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 1dw0 h PRO 72 CO 0.47 0.13 0.08 -0.40 -0.21 0.00 0.00 178.00 178.07 1dw0 n ASP 73 N -4.42 5.28 -4.73 -2.05 5.75 -1.26 -4.95 116.55 110.17 1dw0 n ASP 73 Ca 0.24 -2.97 -0.41 0.00 -0.01 0.00 0.00 54.79 51.64 1dw0 n ASP 73 Cb 1.02 -0.70 0.01 0.00 -1.03 0.00 0.00 41.12 40.42 1dw0 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dw0 n ARG 74 N 0.37 2.13 -3.52 0.11 5.12 -1.02 -2.96 116.66 116.89 1dw0 n ARG 74 Ca 0.31 0.76 -0.25 0.00 -1.93 0.00 0.00 57.85 56.73 1dw0 n ARG 74 Cb 1.22 -2.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.08 1dw0 n ARG 74 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1dw0 n PHE 75 N -0.12 -2.52 0.15 -1.55 3.72 -1.26 -4.71 117.46 111.17 1dw0 n PHE 75 Ca 0.05 0.86 0.02 0.00 -0.05 0.00 0.00 57.45 58.33 1dw0 n PHE 75 Cb 0.40 -4.61 0.02 0.00 -0.94 0.00 0.00 39.48 34.35 1dw0 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw0 n THR 76 N -4.79 0.11 -3.95 4.37 -2.24 -1.16 -2.67 114.28 103.95 1dw0 n THR 76 Ca -0.01 -0.55 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 1dw0 n THR 76 Cb 0.57 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.67 1dw0 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw0 s ASP 77 N -0.41 4.07 0.26 3.42 -1.08 -1.26 -1.30 116.67 120.36 1dw0 s ASP 77 Ca 0.05 -1.37 -0.04 0.00 -0.52 0.00 0.00 52.55 50.67 1dw0 s ASP 77 Cb 0.04 -1.27 0.36 0.00 -1.46 0.00 0.00 42.92 40.59 1dw0 s ASP 77 CO 0.05 -0.26 1.88 0.28 0.52 0.00 0.00 175.17 177.64 1dw0 h SER 78 N 7.89 1.00 -0.49 -0.34 0.02 -1.92 -2.13 113.55 117.57 1dw0 h SER 78 Ca -0.16 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1dw0 h SER 78 Cb 1.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1dw0 h SER 78 CO 0.44 0.65 0.12 0.00 -1.14 0.00 0.00 176.83 176.89 1dw0 h ALA 79 N 1.43 0.65 -0.43 3.77 0.00 -1.99 -1.65 119.26 121.04 1dw0 h ALA 79 Ca 0.41 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1dw0 h ALA 79 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1dw0 h ALA 79 CO -0.16 0.34 0.09 -0.09 0.00 0.00 0.00 179.25 179.43 1dw0 h ARG 80 N 0.67 0.69 -0.44 0.00 2.43 -1.93 0.21 114.38 116.00 1dw0 h ARG 80 Ca 0.15 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1dw0 h ARG 80 Cb 0.33 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1dw0 h ARG 80 CO 0.00 0.71 0.28 0.28 -1.51 0.00 0.00 179.97 179.73 1dw0 h VAL 81 N 0.56 1.13 -0.23 0.20 2.07 -1.29 -2.14 116.25 116.55 1dw0 h VAL 81 Ca 0.13 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1dw0 h VAL 81 Cb 0.34 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1dw0 h VAL 81 CO 0.00 0.13 -0.39 -0.33 0.02 0.00 0.00 177.57 177.01 1dw0 h GLU 82 N 0.59 0.51 0.02 1.57 4.39 -1.14 -1.03 114.58 119.50 1dw0 h GLU 82 Ca 0.16 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1dw0 h GLU 82 Cb -0.02 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1dw0 h GLU 82 CO -0.03 0.82 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.41 1dw0 h LYS 83 N 0.43 -0.02 -0.11 2.33 3.64 -0.72 -0.86 116.57 121.26 1dw0 h LYS 83 Ca 0.04 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1dw0 h LYS 83 Cb 0.87 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1dw0 h LYS 83 CO 0.07 0.01 -0.75 -1.49 -2.27 0.00 0.00 179.45 175.02 1dw0 h TRP 84 N -0.05 0.97 -0.63 1.91 4.06 -1.33 -1.91 115.95 118.96 1dw0 h TRP 84 Ca -0.00 -0.45 -0.03 0.00 2.06 0.00 0.00 58.89 60.47 1dw0 h TRP 84 Cb 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.03 1dw0 h TRP 84 CO -0.07 1.27 0.28 -0.07 -3.56 0.00 0.00 178.44 176.29 1dw0 h LEU 85 N 0.39 0.82 0.69 -4.49 3.38 -1.19 0.72 115.31 115.62 1dw0 h LEU 85 Ca -0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1dw0 h LEU 85 Cb 1.39 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1dw0 h LEU 85 CO 0.15 0.71 -0.41 1.23 0.09 0.00 0.00 178.44 180.21 1dw0 h GLY 86 N 0.99 -1.13 0.92 0.83 0.00 -0.99 0.04 103.07 103.73 1dw0 h GLY 86 Ca 0.22 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.99 1dw0 h GLY 86 CO -0.02 -0.40 0.12 3.21 0.00 0.00 0.00 176.54 179.45 1dw0 h ARG 87 N -1.04 0.42 -0.27 4.80 3.08 -0.91 -3.03 114.38 117.43 1dw0 h ARG 87 Ca -0.09 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.73 1dw0 h ARG 87 Cb 0.83 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 1dw0 h ARG 87 CO 0.10 0.43 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.09 1dw0 h ASN 88 N 0.32 0.85 -0.63 7.04 2.35 0.50 -2.31 115.58 123.69 1dw0 h ASN 88 Ca 0.10 -0.52 -0.07 0.00 -0.55 0.00 0.00 56.30 55.26 1dw0 h ASN 88 Cb 0.16 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1dw0 h ASN 88 CO -0.01 1.21 0.11 0.00 -1.65 0.00 0.00 177.43 177.09 1dw0 h ASN 90 N 0.96 0.64 -0.62 0.00 4.21 -1.40 0.63 115.58 119.99 1dw0 h ASN 90 Ca 0.19 -0.10 -0.04 0.00 1.21 0.00 0.00 56.30 57.56 1dw0 h ASN 90 Cb 0.42 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.43 1dw0 h ASN 90 CO 0.01 0.55 0.21 0.28 -1.29 0.00 0.00 177.43 177.20 1dw0 h SER 91 N 0.68 0.89 0.00 5.81 0.02 -1.26 -1.17 113.55 118.51 1dw0 h SER 91 Ca 0.18 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1dw0 h SER 91 Cb 0.06 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 1dw0 h SER 91 CO -0.03 0.85 -0.21 0.58 -1.14 0.00 0.00 176.83 176.88 1dw0 h VAL 92 N 0.89 0.73 0.00 2.27 2.07 -1.21 0.32 116.25 121.32 1dw0 h VAL 92 Ca 0.20 -1.60 -0.25 0.00 0.82 0.00 0.00 66.70 65.88 1dw0 h VAL 92 Cb 0.26 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1dw0 h VAL 92 CO -0.01 0.25 -1.61 -0.38 0.02 0.00 0.00 177.57 175.83 1dw0 n ILE 93 N -4.66 1.44 0.00 4.57 5.41 0.19 -3.04 119.36 123.27 1dw0 n ILE 93 Ca -0.08 -0.76 0.00 0.00 1.00 0.00 0.00 62.75 62.91 1dw0 n ILE 93 Cb 0.28 -0.91 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 1dw0 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw0 n GLY 94 N 1.50 0.68 3.72 7.39 0.00 -0.44 -3.70 105.19 114.33 1dw0 n GLY 94 Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1dw0 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw0 s ARG 95 N -0.68 1.78 0.65 1.61 1.70 -1.25 -4.91 118.95 117.85 1dw0 s ARG 95 Ca 0.00 -1.22 -0.16 0.00 -0.47 0.00 0.00 55.73 53.88 1dw0 s ARG 95 Cb 0.00 0.55 -0.00 0.00 -0.57 0.00 0.00 34.95 34.92 1dw0 s ARG 95 CO 0.00 -0.79 1.15 -0.51 -1.08 0.00 0.00 175.30 174.08 1dw0 s ASP 96 N -3.00 4.98 0.41 -2.89 1.11 -1.26 -2.91 116.67 113.10 1dw0 s ASP 96 Ca 0.17 2.18 -0.24 0.00 0.18 0.00 0.00 52.55 54.85 1dw0 s ASP 96 Cb -0.03 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 41.29 1dw0 s ASP 96 CO 0.09 -1.72 1.06 0.00 1.18 0.00 0.00 175.17 175.78 1dw0 s THR 98 N -1.67 3.44 0.32 0.00 -4.23 -1.26 -4.81 115.64 107.43 1dw0 s THR 98 Ca 0.59 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 61.59 1dw0 s THR 98 Cb -0.22 -3.45 0.28 0.00 1.34 0.00 0.00 72.50 70.45 1dw0 s THR 98 CO 0.28 -0.61 1.92 -0.65 -0.54 0.00 0.00 174.62 175.02 1dw0 h PRO 99 N -0.68 0.92 -0.64 3.99 0.11 -1.93 0.20 132.00 133.98 1dw0 h PRO 99 Ca -0.45 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1dw0 h PRO 99 Cb 1.26 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1dw0 h PRO 99 CO 0.64 0.61 0.21 0.78 -0.21 0.00 0.00 178.00 180.03 1dw0 h GLY 100 N 0.95 1.06 0.96 -0.55 0.00 -1.90 -0.38 103.07 103.20 1dw0 h GLY 100 Ca 0.37 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1dw0 h GLY 100 CO -0.14 0.57 0.10 0.83 0.00 0.00 0.00 176.54 177.91 1dw0 h GLU 101 N 0.91 0.73 -0.59 4.80 5.08 -1.69 -0.89 114.58 122.93 1dw0 h GLU 101 Ca 0.21 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1dw0 h GLU 101 Cb 0.27 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1dw0 h GLU 101 CO -0.01 0.73 0.38 0.87 -1.00 0.00 0.00 179.01 179.98 1dw0 h LYS 102 N 0.60 0.73 -0.09 2.33 1.57 -0.74 0.20 116.57 121.17 1dw0 h LYS 102 Ca 0.14 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1dw0 h LYS 102 Cb 0.33 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1dw0 h LYS 102 CO 0.00 0.49 -0.03 0.00 -0.57 0.00 0.00 179.45 179.33 1dw0 h ALA 103 N 1.24 0.04 -0.17 3.86 0.00 -0.89 -1.51 119.26 121.83 1dw0 h ALA 103 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1dw0 h ALA 103 Cb -0.03 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1dw0 h ALA 103 CO -0.08 -0.50 0.03 -0.44 0.00 0.00 0.00 179.25 178.26 1dw0 h ASP 104 N -0.02 -0.00 -0.12 0.00 3.45 -0.92 0.82 116.42 119.62 1dw0 h ASP 104 Ca 0.05 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.55 1dw0 h ASP 104 Cb 0.09 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.89 1dw0 h ASP 104 CO -0.10 0.03 0.01 -0.07 -1.57 0.00 0.00 179.24 177.53 1dw0 h LEU 105 N 0.10 -0.03 -0.96 1.55 3.38 -0.90 -2.18 115.31 116.27 1dw0 h LEU 105 Ca 0.08 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1dw0 h LEU 105 Cb 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1dw0 h LEU 105 CO -0.11 0.01 -0.48 -0.07 0.09 0.00 0.00 178.44 177.87 1dw0 h LEU 106 N 0.05 0.09 -1.08 1.67 3.38 -1.14 -0.09 115.31 118.19 1dw0 h LEU 106 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1dw0 h LEU 106 Cb 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1dw0 h LEU 106 CO -0.09 0.56 0.45 0.00 0.09 0.00 0.00 178.44 179.45 1dw0 h ALA 107 N 1.45 1.30 -0.01 1.53 0.00 -0.58 0.25 119.26 123.20 1dw0 h ALA 107 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1dw0 h ALA 107 Cb 0.88 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dw0 h ALA 107 CO 0.07 0.58 -0.11 2.35 0.00 0.00 0.00 179.25 182.14 1dw0 h TRP 108 N 1.10 0.14 -0.84 0.00 7.01 -1.00 -3.29 115.95 119.06 1dw0 h TRP 108 Ca 0.28 -0.07 0.01 0.00 2.11 0.00 0.00 58.89 61.23 1dw0 h TRP 108 Cb -0.00 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 1dw0 h TRP 108 CO 0.01 0.79 0.56 -0.07 -2.79 0.00 0.00 178.44 176.94 1dw0 h LEU 109 N -0.55 0.96 -1.94 0.65 3.38 -0.83 -2.49 115.31 114.49 1dw0 h LEU 109 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dw0 h LEU 109 Cb 0.81 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1dw0 h LEU 109 CO 0.02 0.70 -0.02 0.00 0.09 0.00 0.00 178.44 179.23 1dw0 h ALA 110 N 1.48 1.02 -0.01 1.53 0.00 -0.59 -2.25 119.26 120.44 1dw0 h ALA 110 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1dw0 h ALA 110 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dw0 h ALA 110 CO -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.18 1dw0 n ALA 111 N -2.11 2.63 1.62 0.00 0.00 -0.94 -4.73 120.51 116.98 1dw0 n ALA 111 Ca -0.01 -0.43 0.14 0.00 0.00 0.00 0.00 53.44 53.15 1dw0 n ALA 111 Cb 0.24 -1.17 0.63 0.00 0.00 0.00 0.00 19.45 19.14 1dw0 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54