#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 1.70 -3.80 1.61 3.85 -0.27 -5.03 116.55 114.62 1dw0 n ASP 2 Ca 0.00 -1.39 -0.09 0.00 -0.71 0.00 0.00 54.79 52.60 1dw0 n ASP 2 Cb 0.00 -0.02 -0.04 0.00 -1.35 0.00 0.00 41.12 39.71 1dw0 n ASP 2 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1dw0 s THR 3 N -0.60 0.00 0.33 2.12 -1.32 -0.75 -4.89 115.64 110.53 1dw0 s THR 3 Ca 0.08 -1.28 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 1dw0 s THR 3 Cb 0.05 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.75 1dw0 s THR 3 CO 0.08 0.00 0.20 -0.94 -2.21 0.00 0.00 174.62 171.75 1dw0 s SER 4 N -3.02 4.94 0.29 8.08 1.04 -1.26 -4.46 113.70 119.30 1dw0 s SER 4 Ca 0.20 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1dw0 s SER 4 Cb -0.02 -0.84 0.43 0.00 0.10 0.00 0.00 66.02 65.68 1dw0 s SER 4 CO 0.10 -0.31 1.95 -0.65 0.98 0.00 0.00 173.24 175.32 1dw0 h PRO 5 N 1.44 1.11 -0.55 4.02 0.11 -1.87 -2.10 132.00 134.15 1dw0 h PRO 5 Ca -0.44 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1dw0 h PRO 5 Cb 1.25 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1dw0 h PRO 5 CO 0.61 0.74 -0.00 0.00 -0.21 0.00 0.00 178.00 179.14 1dw0 h ALA 6 N 1.47 0.95 -0.70 -0.75 0.00 -1.95 -0.73 119.26 117.54 1dw0 h ALA 6 Ca 0.33 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1dw0 h ALA 6 Cb -0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1dw0 h ALA 6 CO -0.08 0.63 0.22 1.96 0.00 0.00 0.00 179.25 181.98 1dw0 h GLN 7 N 0.88 1.09 -0.02 0.00 4.20 -1.86 0.15 115.11 119.56 1dw0 h GLN 7 Ca 0.16 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1dw0 h GLN 7 Cb 0.52 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1dw0 h GLN 7 CO 0.03 0.94 0.01 -0.07 -0.67 0.00 0.00 178.83 179.07 1dw0 h LEU 8 N 1.03 0.03 -0.76 1.46 3.38 -1.02 -1.86 115.31 117.58 1dw0 h LEU 8 Ca 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1dw0 h LEU 8 Cb 0.31 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1dw0 h LEU 8 CO -0.01 0.21 0.43 0.40 0.09 0.00 0.00 178.44 179.57 1dw0 h ILE 9 N -0.16 1.22 -0.44 1.22 2.04 -0.94 -2.20 117.51 118.25 1dw0 h ILE 9 Ca 0.01 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1dw0 h ILE 9 Cb 0.19 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1dw0 h ILE 9 CO -0.00 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.59 1dw0 h ALA 10 N 1.22 1.52 -0.35 1.87 0.00 -0.64 0.10 119.26 122.98 1dw0 h ALA 10 Ca 0.27 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1dw0 h ALA 10 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1dw0 h ALA 10 CO -0.05 0.38 -0.08 0.78 0.00 0.00 0.00 179.25 180.29 1dw0 h GLY 11 N 0.75 0.73 1.05 0.00 0.00 -0.94 -1.74 103.07 102.92 1dw0 h GLY 11 Ca 0.16 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 1dw0 h GLY 11 CO -0.02 0.55 0.13 -0.97 0.00 0.00 0.00 176.54 176.23 1dw0 h TYR 12 N 0.47 1.12 -0.87 5.60 0.99 -0.89 -2.34 116.97 121.06 1dw0 h TYR 12 Ca 0.09 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.70 1dw0 h TYR 12 Cb 0.58 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 37.95 1dw0 h TYR 12 CO 0.05 0.94 0.56 0.93 -0.00 0.00 0.00 178.16 180.64 1dw0 h GLU 13 N 0.97 1.08 -0.63 4.88 5.08 -0.68 0.10 114.58 125.38 1dw0 h GLU 13 Ca 0.20 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1dw0 h GLU 13 Cb 0.41 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1dw0 h GLU 13 CO 0.01 0.71 0.08 0.00 -1.00 0.00 0.00 179.01 178.81 1dw0 h ALA 14 N 1.35 0.95 -0.17 3.43 0.00 -1.08 0.25 119.26 123.98 1dw0 h ALA 14 Ca 0.34 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1dw0 h ALA 14 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1dw0 h ALA 14 CO -0.10 0.65 -0.57 0.00 0.00 0.00 0.00 179.25 179.22 1dw0 h ALA 15 N 1.10 0.69 0.00 0.00 0.00 -0.96 -3.06 119.26 117.04 1dw0 h ALA 15 Ca 0.19 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1dw0 h ALA 15 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1dw0 h ALA 15 CO 0.02 0.70 -0.69 0.00 0.00 0.00 0.00 179.25 179.27 1dw0 h ALA 16 N 0.98 0.80 0.00 0.00 0.00 -0.55 -3.48 119.26 117.01 1dw0 h ALA 16 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1dw0 h ALA 16 Cb 1.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1dw0 h ALA 16 CO 0.11 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1dw0 n GLY 17 N 0.58 0.49 3.50 0.00 0.00 0.83 -4.88 105.19 105.71 1dw0 n GLY 17 Ca -0.01 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.00 -1.75 0.68 4.61 0.00 -1.00 -5.04 121.76 117.25 1dw0 s ALA 18 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.99 1dw0 s ALA 18 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1dw0 s ALA 18 CO 0.00 -0.45 1.11 -2.14 0.00 0.00 0.00 175.76 174.28 1dw0 s PRO 19 N -1.74 2.70 0.55 0.00 0.02 -1.26 -4.46 135.00 130.81 1dw0 s PRO 19 Ca -0.08 1.38 -0.19 0.00 0.02 0.00 0.00 61.00 62.14 1dw0 s PRO 19 Cb -0.00 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1dw0 s PRO 19 CO 0.04 -1.33 1.11 0.00 -0.33 0.00 0.00 177.00 176.49 1dw0 s ALA 20 N -2.39 2.70 -0.29 -1.55 0.00 -1.26 -4.95 121.76 114.01 1dw0 s ALA 20 Ca 0.67 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1dw0 s ALA 20 Cb -0.20 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.67 1dw0 s ALA 20 CO 0.43 -0.76 0.04 0.34 0.00 0.00 0.00 175.76 175.81 1dw0 s ASP 21 N -1.96 4.11 0.45 0.00 -1.08 -1.26 -4.96 116.67 111.97 1dw0 s ASP 21 Ca 0.71 -1.60 0.13 0.00 -0.52 0.00 0.00 52.55 51.27 1dw0 s ASP 21 Cb -0.22 -1.13 1.02 0.00 -1.46 0.00 0.00 42.92 41.13 1dw0 s ASP 21 CO 0.28 -0.35 2.03 0.00 0.52 0.00 0.00 175.17 177.65 1dw0 h ALA 22 N 7.94 1.75 -0.60 3.66 0.00 -1.90 -1.82 119.26 128.29 1dw0 h ALA 22 Ca -0.12 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1dw0 h ALA 22 Cb 1.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1dw0 h ALA 22 CO 0.46 0.19 0.04 1.05 0.00 0.00 0.00 179.25 180.99 1dw0 h GLU 23 N 0.11 1.03 -0.35 0.00 9.09 -1.94 0.14 114.58 122.65 1dw0 h GLU 23 Ca 0.03 -0.31 -0.08 0.00 0.05 0.00 0.00 59.36 59.05 1dw0 h GLU 23 Cb 0.19 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 27.17 1dw0 h GLU 23 CO 0.01 0.99 -0.12 0.00 0.05 0.00 0.00 179.01 179.94 1dw0 h ARG 24 N 0.93 0.62 -0.25 1.06 3.08 -1.78 -1.19 114.38 116.84 1dw0 h ARG 24 Ca 0.17 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1dw0 h ARG 24 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1dw0 h ARG 24 CO 0.02 0.73 0.01 0.78 -1.07 0.00 0.00 179.97 180.44 1dw0 h GLY 25 N 0.96 0.47 0.83 0.04 0.00 -0.82 -1.68 103.07 102.87 1dw0 h GLY 25 Ca 0.10 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1dw0 h GLY 25 CO 0.03 0.31 0.20 -0.09 0.00 0.00 0.00 176.54 177.00 1dw0 h ARG 26 N 0.23 0.40 -0.79 4.80 2.43 -0.51 -0.91 114.38 120.03 1dw0 h ARG 26 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1dw0 h ARG 26 Cb 0.39 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1dw0 h ARG 26 CO 0.01 0.27 0.41 0.00 -1.51 0.00 0.00 179.97 179.15 1dw0 h ALA 27 N 1.20 1.02 -0.41 2.80 0.00 -1.04 -1.81 119.26 121.02 1dw0 h ALA 27 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1dw0 h ALA 27 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1dw0 h ALA 27 CO -0.11 0.55 0.01 1.25 0.00 0.00 0.00 179.25 180.96 1dw0 h LEU 28 N 1.11 0.70 -0.70 0.00 5.85 -1.07 -2.16 115.31 119.04 1dw0 h LEU 28 Ca 0.28 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1dw0 h LEU 28 Cb 0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1dw0 h LEU 28 CO -0.04 0.82 0.39 0.15 -0.34 0.00 0.00 178.44 179.43 1dw0 h PHE 29 N 0.55 0.96 0.00 1.25 3.57 -0.81 -2.77 116.94 119.69 1dw0 h PHE 29 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1dw0 h PHE 29 Cb 0.46 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1dw0 h PHE 29 CO 0.04 0.67 -0.06 1.28 -2.23 0.00 0.00 178.31 178.00 1dw0 n LEU 30 N -4.50 0.19 -4.75 0.59 4.77 -0.71 -3.55 117.00 109.02 1dw0 n LEU 30 Ca 0.06 0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 56.16 1dw0 n LEU 30 Cb 0.08 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1dw0 n LEU 30 CO 0.37 -0.02 0.77 -0.94 -1.33 0.00 0.00 177.39 176.25 1dw0 s SER 31 N -3.26 4.90 -0.26 -1.43 1.04 -0.81 -4.92 113.70 108.95 1dw0 s SER 31 Ca 0.13 2.17 -0.11 0.00 0.48 0.00 0.00 55.95 58.62 1dw0 s SER 31 Cb 0.18 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1dw0 s SER 31 CO 0.56 -1.78 0.17 -0.89 0.98 0.00 0.00 173.24 172.29 1dw0 s THR 32 N -2.09 5.32 0.32 2.02 2.01 -1.26 -4.37 115.64 117.59 1dw0 s THR 32 Ca 0.71 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.95 1dw0 s THR 32 Cb -0.24 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 1dw0 s THR 32 CO 0.40 0.30 0.27 -1.10 -0.69 0.00 0.00 174.62 173.80 1dw0 s GLN 33 N 1.42 2.77 0.00 4.92 -1.52 0.28 -5.01 119.66 122.52 1dw0 s GLN 33 Ca 0.07 -1.24 0.00 0.00 -1.95 0.00 0.00 55.36 52.25 1dw0 s GLN 33 Cb -0.15 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1dw0 s GLN 33 CO 0.08 0.17 0.33 0.25 -0.25 0.00 0.00 175.29 175.86 1dw0 n THR 34 N -1.33 0.04 0.39 -0.19 -2.24 -1.26 -4.68 114.28 105.01 1dw0 n THR 34 Ca -0.03 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.55 1dw0 n THR 34 Cb 0.59 1.36 0.18 0.00 -2.10 0.00 0.00 70.33 70.37 1dw0 n THR 34 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1dw0 h GLY 35 N 0.00 0.00 0.00 3.38 0.00 -1.78 -3.48 103.07 101.20 1dw0 h GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dw0 h GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1dw0 n GLY 36 N 1.24 1.57 3.79 4.60 0.00 -1.15 -4.22 105.19 111.02 1dw0 n GLY 36 Ca 0.03 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 2.69 4.14 0.34 1.61 1.02 0.70 -4.90 119.74 125.34 1dw0 s LYS 37 Ca 0.00 1.43 0.05 0.00 0.02 0.00 0.00 55.97 57.47 1dw0 s LYS 37 Cb 0.00 -2.44 0.62 0.00 -0.52 0.00 0.00 37.83 35.49 1dw0 s LYS 37 CO 0.00 -0.15 1.88 -1.00 -0.92 0.00 0.00 175.35 175.16 1dw0 h PRO 38 N 2.31 0.50 -0.00 -1.68 0.13 -1.96 -2.31 132.00 129.00 1dw0 h PRO 38 Ca -0.48 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1dw0 h PRO 38 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1dw0 h PRO 38 CO 0.62 0.54 -0.00 -0.40 -0.23 0.00 0.00 178.00 178.52 1dw0 n ASP 39 N -4.28 0.02 -3.36 1.44 3.85 -1.26 -4.30 116.55 108.66 1dw0 n ASP 39 Ca 0.01 -0.45 -0.26 0.00 -0.71 0.00 0.00 54.79 53.38 1dw0 n ASP 39 Cb 0.24 -0.18 -0.09 0.00 -1.35 0.00 0.00 41.12 39.75 1dw0 n ASP 39 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1dw0 n THR 40 N -1.17 -0.25 0.38 2.12 -2.24 -0.87 -4.95 114.28 107.31 1dw0 n THR 40 Ca 0.18 -4.05 0.13 0.00 -2.27 0.00 0.00 64.05 58.03 1dw0 n THR 40 Cb 0.20 -1.90 0.53 0.00 -2.10 0.00 0.00 70.33 67.06 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 4.71 0.00 -3.40 -0.78 0.13 -1.75 -3.36 132.00 127.55 1dw0 h PRO 41 Ca 0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.22 1dw0 h PRO 41 Cb 0.85 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.83 1dw0 h PRO 41 CO 0.50 0.00 -0.17 0.45 -0.23 0.00 0.00 178.00 178.55 1dw0 s SER 42 N -4.64 -0.15 0.47 1.44 0.15 -1.26 0.99 113.70 110.70 1dw0 s SER 42 Ca 0.04 -0.31 0.13 0.00 0.70 0.00 0.00 55.95 56.51 1dw0 s SER 42 Cb 0.09 0.42 1.11 0.00 -1.71 0.00 0.00 66.02 65.93 1dw0 s SER 42 CO 0.45 -0.75 2.10 0.00 1.20 0.00 0.00 173.24 176.23 1dw0 h THR 44 N 0.23 0.00 -0.97 0.00 1.35 -1.78 -1.47 112.91 110.27 1dw0 h THR 44 Ca 0.09 -0.30 0.09 0.00 -0.55 0.00 0.00 66.41 65.73 1dw0 h THR 44 Cb 0.07 1.10 -0.07 0.00 -1.73 0.00 0.00 68.15 67.52 1dw0 h THR 44 CO -0.02 0.00 0.61 0.74 -0.25 0.00 0.00 175.52 176.61 1dw0 h THR 45 N 0.00 1.00 0.00 6.82 2.02 -1.55 -0.22 112.91 120.98 1dw0 h THR 45 Ca 0.00 -0.36 -0.29 0.00 0.77 0.00 0.00 66.41 66.53 1dw0 h THR 45 Cb 0.44 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.65 1dw0 h THR 45 CO 0.00 0.19 -2.08 0.00 0.37 0.00 0.00 175.52 174.00 1dw0 n HIS 47 N -2.70 0.00 -0.38 0.00 8.25 -0.56 -0.63 115.22 119.21 1dw0 n HIS 47 Ca -0.28 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.23 1dw0 n HIS 47 Cb 0.97 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 32.05 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 1.34 -2.06 0.13 -1.41 0.00 -0.10 -4.48 105.19 98.61 1dw0 n GLY 48 Ca 0.13 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.36 0.69 -3.57 4.61 0.00 -1.95 -3.40 119.26 115.27 1dw0 h ALA 49 Ca -0.02 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1dw0 h ALA 49 Cb 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.77 1dw0 h ALA 49 CO 0.01 0.00 -0.70 0.34 0.00 0.00 0.00 179.25 178.91 1dw0 s ASP 50 N -5.33 4.83 0.00 0.00 3.68 -1.26 -4.98 116.67 113.60 1dw0 s ASP 50 Ca 0.04 -1.79 0.18 0.00 2.13 0.00 0.00 52.55 53.11 1dw0 s ASP 50 Cb 0.09 -1.67 1.08 0.00 -1.45 0.00 0.00 42.92 40.97 1dw0 s ASP 50 CO 0.73 -0.35 1.57 1.33 0.13 0.00 0.00 175.17 178.58 1dw0 n VAL 51 N 4.44 0.00 1.01 1.11 0.24 -1.26 -1.90 118.33 121.96 1dw0 n VAL 51 Ca -0.05 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.38 1dw0 n VAL 51 Cb 0.42 -0.45 0.45 0.00 -1.47 0.00 0.00 33.84 32.79 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 -0.85 0.00 -3.83 3.34 -2.24 -1.26 -1.64 114.28 107.79 1dw0 n THR 52 Ca 0.14 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.71 1dw0 n THR 52 Cb 0.06 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.99 3.18 0.60 -0.78 0.52 -0.80 -4.85 118.95 113.83 1dw0 s ARG 53 Ca 0.13 -0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 54.21 1dw0 s ARG 53 Cb 0.18 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1dw0 s ARG 53 CO 0.61 0.28 1.17 0.00 0.02 0.00 0.00 175.30 177.38 1dw0 s ALA 54 N -2.10 2.54 0.03 2.13 0.00 -1.26 -4.22 121.76 118.87 1dw0 s ALA 54 Ca 0.38 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1dw0 s ALA 54 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1dw0 s ALA 54 CO 0.29 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1dw0 n GLY 55 N 0.25 1.84 3.32 0.00 0.00 0.15 -4.84 105.19 105.91 1dw0 n GLY 55 Ca 0.13 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.20 0.48 1.02 1.61 1.03 0.20 -1.39 119.66 122.41 1dw0 s GLN 56 Ca 0.00 0.64 -0.17 0.00 0.04 0.00 0.00 55.36 55.87 1dw0 s GLN 56 Cb 0.00 0.20 0.24 0.00 0.03 0.00 0.00 33.01 33.48 1dw0 s GLN 56 CO 0.00 -0.08 1.18 0.25 -2.54 0.00 0.00 175.29 174.10 1dw0 n THR 57 N 3.12 0.00 0.62 3.63 -2.24 0.39 -4.27 114.28 115.53 1dw0 n THR 57 Ca -0.15 -0.75 0.07 0.00 -2.27 0.00 0.00 64.05 60.95 1dw0 n THR 57 Cb 0.57 -1.42 0.34 0.00 -2.10 0.00 0.00 70.33 67.72 1dw0 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dw0 n ARG 58 N -4.04 0.14 0.00 -0.78 5.12 -1.26 -0.98 116.66 114.86 1dw0 n ARG 58 Ca 0.15 0.18 0.05 0.00 -1.93 0.00 0.00 57.85 56.31 1dw0 n ARG 58 Cb 0.55 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.39 1dw0 n ARG 58 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1dw0 n THR 59 N -1.35 0.00 -0.43 0.55 -1.04 -1.26 -4.99 114.28 105.75 1dw0 n THR 59 Ca 0.06 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1dw0 n THR 59 Cb 0.13 1.22 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 1dw0 n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dw0 n GLY 60 N 0.64 0.78 3.78 3.41 0.00 -0.15 -5.06 105.19 108.59 1dw0 n GLY 60 Ca 0.06 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.59 4.54 0.28 1.61 -0.14 -1.26 -4.72 119.74 119.45 1dw0 s LYS 61 Ca 0.00 1.34 -0.29 0.00 -1.36 0.00 0.00 55.97 55.66 1dw0 s LYS 61 Cb 0.00 -2.75 -0.10 0.00 -1.68 0.00 0.00 37.83 33.30 1dw0 s LYS 61 CO 0.00 0.23 1.26 -2.00 -0.76 0.00 0.00 175.35 174.08 1dw0 s GLU 62 N -2.14 4.43 -0.13 1.68 2.12 -1.26 -0.46 118.70 122.94 1dw0 s GLU 62 Ca 0.51 2.07 -0.00 0.00 0.36 0.00 0.00 54.97 57.91 1dw0 s GLU 62 Cb -0.19 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 1dw0 s GLU 62 CO 0.24 -0.12 -0.12 0.42 -0.54 0.00 0.00 175.26 175.14 1dw0 s ILE 63 N -0.75 3.14 0.57 -3.70 1.01 -0.49 -4.84 121.20 116.14 1dw0 s ILE 63 Ca 0.50 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1dw0 s ILE 63 Cb -0.37 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1dw0 s ILE 63 CO 0.46 0.52 1.18 0.00 0.00 0.00 0.00 174.94 177.10 1dw0 n ALA 64 N 3.50 0.90 -1.61 9.38 0.00 -1.26 -0.67 120.51 130.74 1dw0 n ALA 64 Ca -0.18 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 1dw0 n ALA 64 Cb 0.53 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 1dw0 n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dw0 n PRO 65 N -1.08 1.52 0.20 0.00 -0.02 -1.26 -4.52 135.00 129.84 1dw0 n PRO 65 Ca 0.12 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 1dw0 n PRO 65 Cb 0.46 -1.97 0.16 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.07 0.00 -9.59 2.45 3.38 -1.64 -3.41 115.31 108.57 1dw0 h LEU 66 Ca -0.41 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.03 1dw0 h LEU 66 Cb 1.33 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.11 1dw0 h LEU 66 CO 0.61 0.15 0.71 0.00 0.09 0.00 0.00 178.44 180.00 1dw0 s ALA 67 N -3.18 3.58 0.54 1.53 0.00 -0.65 -4.92 121.76 118.66 1dw0 s ALA 67 Ca 0.06 1.13 0.20 0.00 0.00 0.00 0.00 51.96 53.34 1dw0 s ALA 67 Cb 0.06 -3.52 1.42 0.00 0.00 0.00 0.00 23.12 21.08 1dw0 s ALA 67 CO 0.68 -0.60 2.17 -1.35 0.00 0.00 0.00 175.76 176.66 1dw0 h PRO 68 N 6.34 0.00 0.00 0.00 0.11 -1.76 -0.26 132.00 136.42 1dw0 h PRO 68 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1dw0 h PRO 68 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1dw0 h PRO 68 CO 0.84 0.00 -0.19 0.66 -0.21 0.00 0.00 178.00 179.10 1dw0 h SER 69 N 0.00 0.00 0.15 -2.05 4.64 -1.91 -3.06 113.55 111.32 1dw0 h SER 69 Ca 0.01 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.98 1dw0 h SER 69 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 1dw0 h SER 69 CO -0.00 0.19 -2.16 0.00 -0.87 0.00 0.00 176.83 173.99 1dw0 n ALA 70 N -2.50 1.39 -3.71 5.18 0.00 -0.58 -4.80 120.51 115.49 1dw0 n ALA 70 Ca -0.02 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.10 1dw0 n ALA 70 Cb 0.25 -0.43 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 1dw0 n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dw0 s THR 71 N -2.54 0.92 0.54 0.00 -1.32 -0.21 -4.96 115.64 108.07 1dw0 s THR 71 Ca -0.16 -1.66 0.26 0.00 -1.21 0.00 0.00 61.69 58.92 1dw0 s THR 71 Cb 0.07 -1.69 0.40 0.00 -1.51 0.00 0.00 72.50 69.78 1dw0 s THR 71 CO 0.77 -0.75 1.99 -0.65 -2.21 0.00 0.00 174.62 173.77 1dw0 h PRO 72 N 7.72 0.00 -0.35 7.08 0.11 -1.81 -2.72 132.00 142.03 1dw0 h PRO 72 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1dw0 h PRO 72 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1dw0 h PRO 72 CO 0.46 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 1dw0 n ASP 73 N -4.29 1.86 -4.70 -2.05 5.75 -1.26 -4.94 116.55 106.92 1dw0 n ASP 73 Ca 0.10 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.47 1dw0 n ASP 73 Cb 0.62 -0.23 0.01 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.52 1.97 -2.96 0.11 5.12 -1.02 -3.05 116.66 117.34 1dw0 n ARG 74 Ca 0.12 0.70 -0.22 0.00 -1.93 0.00 0.00 57.85 56.51 1dw0 n ARG 74 Cb 0.29 -2.35 0.03 0.00 -1.16 0.00 0.00 32.46 29.27 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 -0.04 -1.83 -0.08 -1.55 3.72 -1.26 -4.84 117.46 111.59 1dw0 n PHE 75 Ca 0.06 0.44 0.04 0.00 -0.05 0.00 0.00 57.45 57.94 1dw0 n PHE 75 Cb 0.38 -4.26 0.10 0.00 -0.94 0.00 0.00 39.48 34.76 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 -4.38 0.90 -3.86 4.37 -2.24 -1.17 -3.22 114.28 104.68 1dw0 n THR 76 Ca -0.12 -0.95 -0.27 0.00 -2.27 0.00 0.00 64.05 60.44 1dw0 n THR 76 Cb 0.62 0.57 -0.17 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.96 2.57 0.16 3.42 -1.08 -1.26 -1.11 116.67 118.40 1dw0 s ASP 77 Ca 0.15 -0.55 -0.12 0.00 -0.52 0.00 0.00 52.55 51.52 1dw0 s ASP 77 Cb 0.08 -0.81 0.03 0.00 -1.46 0.00 0.00 42.92 40.76 1dw0 s ASP 77 CO 0.10 -0.19 1.61 0.77 0.52 0.00 0.00 175.17 177.99 1dw0 h SER 78 N 8.17 0.90 -0.64 -0.34 4.64 -1.91 -2.72 113.55 121.64 1dw0 h SER 78 Ca -0.24 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.69 1dw0 h SER 78 Cb 1.12 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1dw0 h SER 78 CO 0.38 0.98 0.06 0.00 -0.87 0.00 0.00 176.83 177.38 1dw0 h ALA 79 N 0.95 0.89 -0.84 5.18 0.00 -2.00 -2.70 119.26 120.74 1dw0 h ALA 79 Ca 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1dw0 h ALA 79 Cb 0.52 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1dw0 h ALA 79 CO 0.03 0.67 0.43 -0.09 0.00 0.00 0.00 179.25 180.29 1dw0 h ARG 80 N 1.02 1.20 -0.52 0.00 2.43 -1.95 0.16 114.38 116.71 1dw0 h ARG 80 Ca 0.19 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1dw0 h ARG 80 Cb 0.49 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1dw0 h ARG 80 CO 0.02 0.90 0.24 0.28 -1.51 0.00 0.00 179.97 179.90 1dw0 h VAL 81 N 1.19 1.20 -0.58 0.20 2.07 -1.35 -2.20 116.25 116.77 1dw0 h VAL 81 Ca 0.29 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1dw0 h VAL 81 Cb 0.08 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1dw0 h VAL 81 CO -0.04 0.23 0.08 -0.33 0.02 0.00 0.00 177.57 177.52 1dw0 h GLU 82 N 0.70 0.95 0.16 1.57 4.39 -1.13 0.21 114.58 121.42 1dw0 h GLU 82 Ca 0.18 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1dw0 h GLU 82 Cb 0.13 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1dw0 h GLU 82 CO -0.02 0.89 -0.08 -0.22 -1.16 0.00 0.00 179.01 178.43 1dw0 h LYS 83 N 0.90 -0.21 -0.23 2.33 3.64 -0.73 0.67 116.57 122.95 1dw0 h LYS 83 Ca 0.18 0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.37 1dw0 h LYS 83 Cb 0.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1dw0 h LYS 83 CO 0.01 -0.12 -0.65 -1.49 -2.27 0.00 0.00 179.45 174.93 1dw0 h TRP 84 N -0.23 1.06 -0.75 1.91 4.06 -1.37 -2.62 115.95 118.01 1dw0 h TRP 84 Ca -0.02 -0.41 -0.05 0.00 2.06 0.00 0.00 58.89 60.46 1dw0 h TRP 84 Cb 0.18 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 1dw0 h TRP 84 CO -0.06 1.24 0.27 -0.07 -3.56 0.00 0.00 178.44 176.26 1dw0 h LEU 85 N 0.60 1.05 0.33 -4.49 3.38 -0.93 0.20 115.31 115.45 1dw0 h LEU 85 Ca -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1dw0 h LEU 85 Cb 1.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1dw0 h LEU 85 CO 0.14 0.95 -0.30 1.23 0.09 0.00 0.00 178.44 180.54 1dw0 h GLY 86 N 1.12 -0.71 0.87 0.83 0.00 -0.83 0.38 103.07 104.74 1dw0 h GLY 86 Ca 0.25 0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.89 1dw0 h GLY 86 CO -0.02 -0.27 0.03 -0.09 0.00 0.00 0.00 176.54 176.19 1dw0 h ARG 87 N -0.65 0.46 -0.11 4.80 2.43 -1.23 -3.02 114.38 117.05 1dw0 h ARG 87 Ca -0.02 -0.13 -0.21 0.00 -0.81 0.00 0.00 59.98 58.81 1dw0 h ARG 87 Cb 0.59 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1dw0 h ARG 87 CO -0.04 0.59 -0.78 -0.91 -1.51 0.00 0.00 179.97 177.32 1dw0 h ASN 88 N 0.26 0.75 -0.61 -3.80 2.35 -0.56 -1.69 115.58 112.28 1dw0 h ASN 88 Ca 0.08 -0.50 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 1dw0 h ASN 88 Cb 0.37 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1dw0 h ASN 88 CO 0.01 1.28 0.17 0.00 -1.65 0.00 0.00 177.43 177.23 1dw0 h ASN 90 N 0.88 0.97 -0.48 0.00 4.21 -1.41 0.14 115.58 119.89 1dw0 h ASN 90 Ca 0.19 -0.18 -0.05 0.00 1.21 0.00 0.00 56.30 57.47 1dw0 h ASN 90 Cb 0.33 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 1dw0 h ASN 90 CO -0.00 0.89 0.10 0.28 -1.29 0.00 0.00 177.43 177.40 1dw0 h SER 91 N 1.00 0.75 0.00 5.81 0.02 -1.10 -0.82 113.55 119.21 1dw0 h SER 91 Ca 0.23 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1dw0 h SER 91 Cb 0.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1dw0 h SER 91 CO -0.02 0.80 -0.51 0.58 -1.14 0.00 0.00 176.83 176.55 1dw0 h VAL 92 N 0.66 1.18 0.00 2.27 2.07 -1.14 0.20 116.25 121.49 1dw0 h VAL 92 Ca 0.15 -2.07 -0.14 0.00 0.82 0.00 0.00 66.70 65.46 1dw0 h VAL 92 Cb 0.36 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1dw0 h VAL 92 CO 0.01 0.40 -1.56 -0.38 0.02 0.00 0.00 177.57 176.06 1dw0 n ILE 93 N -4.56 0.93 -0.43 4.57 5.41 0.44 -2.93 119.36 122.80 1dw0 n ILE 93 Ca -0.17 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 62.92 1dw0 n ILE 93 Cb 0.50 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 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 1.38 0.78 3.76 7.39 0.00 -0.31 -3.38 105.19 114.80 1dw0 n GLY 94 Ca -0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.62 1.65 0.69 1.61 1.70 -1.24 -4.91 118.95 117.83 1dw0 s ARG 95 Ca 0.00 -0.86 -0.15 0.00 -0.47 0.00 0.00 55.73 54.25 1dw0 s ARG 95 Cb 0.00 0.60 0.02 0.00 -0.57 0.00 0.00 34.95 35.00 1dw0 s ARG 95 CO 0.00 -0.75 1.16 -0.51 -1.08 0.00 0.00 175.30 174.12 1dw0 s ASP 96 N -2.88 4.65 0.48 -2.89 1.01 -1.26 -2.99 116.67 112.79 1dw0 s ASP 96 Ca 0.09 2.19 -0.20 0.00 0.71 0.00 0.00 52.55 55.34 1dw0 s ASP 96 Cb -0.05 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 1dw0 s ASP 96 CO 0.02 -1.95 1.04 0.00 0.21 0.00 0.00 175.17 174.49 1dw0 s THR 98 N -1.97 2.81 0.39 0.00 -4.23 -1.26 -4.84 115.64 106.54 1dw0 s THR 98 Ca 0.67 0.26 0.09 0.00 -1.18 0.00 0.00 61.69 61.53 1dw0 s THR 98 Cb -0.16 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1dw0 s THR 98 CO 0.20 -0.34 1.96 1.55 -0.54 0.00 0.00 174.62 177.44 1dw0 h PRO 99 N -0.91 0.33 -0.49 3.99 0.13 -1.93 -0.40 132.00 132.71 1dw0 h PRO 99 Ca -0.46 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 1dw0 h PRO 99 Cb 1.29 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1dw0 h PRO 99 CO 0.64 0.37 -0.15 0.78 -0.23 0.00 0.00 178.00 179.41 1dw0 h GLY 100 N 0.65 1.02 0.96 1.56 0.00 -1.90 0.21 103.07 105.57 1dw0 h GLY 100 Ca 0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1dw0 h GLY 100 CO 0.01 0.77 0.06 0.83 0.00 0.00 0.00 176.54 178.20 1dw0 h GLU 101 N 0.83 0.73 -0.68 4.80 5.08 -1.77 -0.96 114.58 122.62 1dw0 h GLU 101 Ca 0.12 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1dw0 h GLU 101 Cb 0.70 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1dw0 h GLU 101 CO 0.05 0.77 0.37 0.87 -1.00 0.00 0.00 179.01 180.07 1dw0 h LYS 102 N 0.58 0.94 -0.18 2.33 1.57 -0.80 0.30 116.57 121.32 1dw0 h LYS 102 Ca 0.13 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1dw0 h LYS 102 Cb 0.40 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1dw0 h LYS 102 CO 0.01 0.71 0.10 0.00 -0.57 0.00 0.00 179.45 179.70 1dw0 h ALA 103 N 1.18 0.22 -0.23 3.86 0.00 -0.81 -1.38 119.26 122.10 1dw0 h ALA 103 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1dw0 h ALA 103 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dw0 h ALA 103 CO -0.04 -0.32 0.13 -0.44 0.00 0.00 0.00 179.25 178.58 1dw0 h ASP 104 N 0.21 0.29 -0.27 0.00 3.45 -0.93 -0.99 116.42 118.18 1dw0 h ASP 104 Ca 0.07 -0.08 0.02 0.00 0.43 0.00 0.00 57.03 57.47 1dw0 h ASP 104 Cb -0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1dw0 h ASP 104 CO -0.04 0.29 0.13 -0.07 -1.57 0.00 0.00 179.24 177.98 1dw0 h LEU 105 N 0.27 0.19 -0.65 1.55 3.38 -0.87 -2.51 115.31 116.66 1dw0 h LEU 105 Ca 0.08 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1dw0 h LEU 105 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dw0 h LEU 105 CO -0.01 0.14 -0.42 -0.07 0.09 0.00 0.00 178.44 178.17 1dw0 h LEU 106 N 0.28 0.61 -1.09 1.67 3.38 -1.20 -0.99 115.31 117.97 1dw0 h LEU 106 Ca 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dw0 h LEU 106 Cb 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1dw0 h LEU 106 CO -0.08 0.95 0.46 0.00 0.09 0.00 0.00 178.44 179.86 1dw0 h ALA 107 N 1.08 1.31 0.00 1.53 0.00 -1.12 0.60 119.26 122.66 1dw0 h ALA 107 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1dw0 h ALA 107 Cb 0.92 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dw0 h ALA 107 CO 0.08 0.58 -0.00 2.35 0.00 0.00 0.00 179.25 182.26 1dw0 h TRP 108 N 1.10 -0.01 -0.60 0.00 7.01 -1.19 -3.27 115.95 119.00 1dw0 h TRP 108 Ca 0.28 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.21 1dw0 h TRP 108 Cb -0.01 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1dw0 h TRP 108 CO 0.01 0.48 0.07 -0.07 -2.79 0.00 0.00 178.44 176.14 1dw0 h LEU 109 N -0.50 0.94 -2.15 0.65 3.38 -0.90 -2.72 115.31 114.02 1dw0 h LEU 109 Ca -0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1dw0 h LEU 109 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1dw0 h LEU 109 CO 0.00 0.96 -0.03 0.00 0.09 0.00 0.00 178.44 179.45 1dw0 h ALA 110 N 1.15 1.08 -0.17 1.53 0.00 0.12 -2.67 119.26 120.30 1dw0 h ALA 110 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dw0 h ALA 110 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1dw0 h ALA 110 CO 0.01 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1dw0 n ALA 111 N -2.14 2.50 1.50 0.00 0.00 -1.03 -4.73 120.51 116.62 1dw0 n ALA 111 Ca -0.01 -0.62 0.14 0.00 0.00 0.00 0.00 53.44 52.94 1dw0 n ALA 111 Cb 0.20 -1.03 0.52 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