#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw1 n ASP 2 N 0.00 1.82 -3.78 1.61 5.75 -0.78 -4.95 116.55 116.23 1dw1 n ASP 2 Ca 0.00 -1.63 -0.09 0.00 -0.01 0.00 0.00 54.79 53.06 1dw1 n ASP 2 Cb 0.00 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 1dw1 n ASP 2 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1dw1 s THR 3 N -1.93 0.00 0.29 2.12 -1.32 -0.78 -4.93 115.64 109.08 1dw1 s THR 3 Ca 0.35 -1.25 0.08 0.00 -1.21 0.00 0.00 61.69 59.66 1dw1 s THR 3 Cb 0.20 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.91 1dw1 s THR 3 CO 0.31 0.00 0.17 -0.94 -2.21 0.00 0.00 174.62 171.96 1dw1 s SER 4 N -3.01 5.17 0.27 8.08 1.04 -1.26 -4.48 113.70 119.52 1dw1 s SER 4 Ca 0.19 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 56.14 1dw1 s SER 4 Cb -0.03 -1.11 0.39 0.00 0.10 0.00 0.00 66.02 65.37 1dw1 s SER 4 CO 0.10 -0.14 1.92 -0.65 0.98 0.00 0.00 173.24 175.45 1dw1 h PRO 5 N 1.52 1.17 -0.63 4.02 0.11 -1.87 -1.41 132.00 134.91 1dw1 h PRO 5 Ca -0.46 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 1dw1 h PRO 5 Cb 1.25 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1dw1 h PRO 5 CO 0.60 0.77 0.10 0.00 -0.21 0.00 0.00 178.00 179.27 1dw1 h ALA 6 N 1.44 0.99 -0.56 -0.75 0.00 -1.95 -0.83 119.26 117.60 1dw1 h ALA 6 Ca 0.37 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1dw1 h ALA 6 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1dw1 h ALA 6 CO -0.11 0.64 0.09 1.96 0.00 0.00 0.00 179.25 181.83 1dw1 h GLN 7 N 0.96 0.93 -0.04 0.00 4.20 -1.76 0.15 115.11 119.54 1dw1 h GLN 7 Ca 0.19 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1dw1 h GLN 7 Cb 0.42 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1dw1 h GLN 7 CO 0.01 0.89 0.02 -0.07 -0.67 0.00 0.00 178.83 179.01 1dw1 h LEU 8 N 0.82 0.04 -0.68 1.46 3.38 -0.99 -2.30 115.31 117.04 1dw1 h LEU 8 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1dw1 h LEU 8 Cb 0.41 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1dw1 h LEU 8 CO 0.01 0.03 0.29 0.40 0.09 0.00 0.00 178.44 179.26 1dw1 h ILE 9 N 0.05 1.24 -0.95 1.22 2.04 -0.95 -2.15 117.51 118.01 1dw1 h ILE 9 Ca 0.02 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.23 1dw1 h ILE 9 Cb -0.00 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 1dw1 h ILE 9 CO -0.01 0.29 0.60 0.00 0.00 0.00 0.00 178.15 179.03 1dw1 h ALA 10 N 1.13 1.32 -0.17 1.87 0.00 -0.66 0.18 119.26 122.93 1dw1 h ALA 10 Ca 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dw1 h ALA 10 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dw1 h ALA 10 CO -0.02 0.37 0.10 0.78 0.00 0.00 0.00 179.25 180.48 1dw1 h GLY 11 N 1.09 0.26 1.12 0.00 0.00 -1.07 -0.68 103.07 103.80 1dw1 h GLY 11 Ca 0.41 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1dw1 h GLY 11 CO -0.18 0.11 0.09 -0.97 0.00 0.00 0.00 176.54 175.59 1dw1 h TYR 12 N 0.19 1.14 -0.83 5.60 0.99 -0.92 -2.20 116.97 120.92 1dw1 h TYR 12 Ca 0.06 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.60 1dw1 h TYR 12 Cb 0.06 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 37.44 1dw1 h TYR 12 CO -0.04 0.96 0.40 0.93 -0.00 0.00 0.00 178.16 180.41 1dw1 h GLU 13 N 1.00 1.20 -0.54 4.88 5.08 -0.47 0.19 114.58 125.91 1dw1 h GLU 13 Ca 0.19 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1dw1 h GLU 13 Cb 0.45 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1dw1 h GLU 13 CO 0.02 0.92 0.04 0.00 -1.00 0.00 0.00 179.01 178.99 1dw1 h ALA 14 N 1.22 1.04 -0.29 3.43 0.00 -0.92 0.19 119.26 123.93 1dw1 h ALA 14 Ca 0.29 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1dw1 h ALA 14 Cb 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dw1 h ALA 14 CO -0.04 0.60 -0.49 0.00 0.00 0.00 0.00 179.25 179.33 1dw1 h ALA 15 N 1.20 0.59 0.00 0.00 0.00 -0.94 -3.00 119.26 117.11 1dw1 h ALA 15 Ca 0.17 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1dw1 h ALA 15 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1dw1 h ALA 15 CO 0.02 0.68 -0.36 0.00 0.00 0.00 0.00 179.25 179.58 1dw1 h ALA 16 N 0.82 0.78 0.00 0.00 0.00 -0.28 -3.48 119.26 117.10 1dw1 h ALA 16 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1dw1 h ALA 16 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1dw1 h ALA 16 CO 0.11 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1dw1 n GLY 17 N 1.08 0.38 3.56 0.00 0.00 0.64 -4.88 105.19 105.98 1dw1 n GLY 17 Ca 0.02 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1dw1 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw1 s ALA 18 N -2.00 -1.87 0.65 4.61 0.00 -1.01 -5.05 121.76 117.10 1dw1 s ALA 18 Ca 0.00 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1dw1 s ALA 18 Cb 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 1dw1 s ALA 18 CO 0.00 -0.33 1.13 -2.14 0.00 0.00 0.00 175.76 174.42 1dw1 s PRO 19 N -1.06 2.79 0.59 0.00 0.02 -1.26 -4.51 135.00 131.57 1dw1 s PRO 19 Ca -0.05 1.49 -0.18 0.00 0.02 0.00 0.00 61.00 62.28 1dw1 s PRO 19 Cb -0.01 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1dw1 s PRO 19 CO 0.05 -1.28 1.12 0.00 -0.33 0.00 0.00 177.00 176.56 1dw1 s ALA 20 N -2.19 2.61 -0.28 -1.55 0.00 -1.26 -4.94 121.76 114.15 1dw1 s ALA 20 Ca 0.69 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1dw1 s ALA 20 Cb -0.22 -3.34 0.08 0.00 0.00 0.00 0.00 23.12 19.63 1dw1 s ALA 20 CO 0.40 -0.95 0.02 0.34 0.00 0.00 0.00 175.76 175.56 1dw1 s ASP 21 N -2.09 4.05 0.42 0.00 -1.08 -1.26 -4.95 116.67 111.76 1dw1 s ASP 21 Ca 0.70 -1.50 0.17 0.00 -0.52 0.00 0.00 52.55 51.40 1dw1 s ASP 21 Cb -0.22 -1.15 0.93 0.00 -1.46 0.00 0.00 42.92 41.02 1dw1 s ASP 21 CO 0.32 -0.32 1.90 0.00 0.52 0.00 0.00 175.17 177.59 1dw1 h ALA 22 N 7.93 1.38 -0.47 3.66 0.00 -1.90 -1.57 119.26 128.30 1dw1 h ALA 22 Ca -0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1dw1 h ALA 22 Cb 1.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1dw1 h ALA 22 CO 0.45 0.35 -0.23 1.05 0.00 0.00 0.00 179.25 180.86 1dw1 h GLU 23 N 0.00 0.98 -0.33 0.00 9.09 -1.95 0.25 114.58 122.62 1dw1 h GLU 23 Ca -0.00 -0.43 -0.06 0.00 0.05 0.00 0.00 59.36 58.91 1dw1 h GLU 23 Cb 0.55 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.60 1dw1 h GLU 23 CO 0.04 1.11 -0.06 0.00 0.05 0.00 0.00 179.01 180.14 1dw1 h ARG 24 N 0.83 0.54 -0.29 1.06 3.08 -1.78 -1.89 114.38 115.95 1dw1 h ARG 24 Ca 0.10 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1dw1 h ARG 24 Cb 0.82 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1dw1 h ARG 24 CO 0.07 0.62 0.05 0.78 -1.07 0.00 0.00 179.97 180.42 1dw1 h GLY 25 N 0.90 0.51 0.81 0.04 0.00 -0.53 -1.23 103.07 103.56 1dw1 h GLY 25 Ca 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.13 1dw1 h GLY 25 CO 0.02 0.31 0.32 -0.09 0.00 0.00 0.00 176.54 177.10 1dw1 h ARG 26 N 0.30 0.61 -0.39 4.80 2.43 -0.31 0.33 114.38 122.14 1dw1 h ARG 26 Ca 0.09 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1dw1 h ARG 26 Cb 0.32 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1dw1 h ARG 26 CO 0.00 0.40 -0.05 0.00 -1.51 0.00 0.00 179.97 178.82 1dw1 h ALA 27 N 1.27 0.53 -0.52 2.80 0.00 -1.22 -1.34 119.26 120.78 1dw1 h ALA 27 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1dw1 h ALA 27 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1dw1 h ALA 27 CO -0.12 0.36 0.08 1.25 0.00 0.00 0.00 179.25 180.81 1dw1 h LEU 28 N 0.54 0.83 -0.52 0.00 5.85 -0.93 -1.81 115.31 119.27 1dw1 h LEU 28 Ca 0.10 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1dw1 h LEU 28 Cb 0.55 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1dw1 h LEU 28 CO 0.03 0.88 0.32 0.15 -0.34 0.00 0.00 178.44 179.48 1dw1 h PHE 29 N 0.74 0.68 0.00 1.25 3.57 -0.67 -2.58 116.94 119.93 1dw1 h PHE 29 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1dw1 h PHE 29 Cb 0.41 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1dw1 h PHE 29 CO 0.03 0.47 0.00 1.28 -2.23 0.00 0.00 178.31 177.86 1dw1 n LEU 30 N -4.68 0.00 -4.75 0.59 4.77 -0.53 -3.64 117.00 108.76 1dw1 n LEU 30 Ca 0.03 0.48 -0.33 0.00 -0.03 0.00 0.00 56.01 56.16 1dw1 n LEU 30 Cb 0.05 -0.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1dw1 n LEU 30 CO 0.36 -0.02 0.75 -0.94 -1.33 0.00 0.00 177.39 176.20 1dw1 s SER 31 N -2.96 4.59 -0.24 -1.43 1.04 -0.69 -4.92 113.70 109.09 1dw1 s SER 31 Ca 0.15 2.10 -0.09 0.00 0.48 0.00 0.00 55.95 58.59 1dw1 s SER 31 Cb 0.18 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1dw1 s SER 31 CO 0.50 -1.99 0.12 -0.89 0.98 0.00 0.00 173.24 171.96 1dw1 s THR 32 N -2.32 4.90 0.23 2.02 2.01 -1.26 -4.37 115.64 116.84 1dw1 s THR 32 Ca 0.68 0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.78 1dw1 s THR 32 Cb -0.23 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1dw1 s THR 32 CO 0.46 0.34 0.14 -1.10 -0.69 0.00 0.00 174.62 173.77 1dw1 s GLN 33 N 1.27 2.78 0.00 4.92 -1.52 0.24 -5.01 119.66 122.35 1dw1 s GLN 33 Ca 0.06 -1.08 0.00 0.00 -1.95 0.00 0.00 55.36 52.39 1dw1 s GLN 33 Cb -0.14 -2.50 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1dw1 s GLN 33 CO 0.05 0.41 0.40 0.25 -0.25 0.00 0.00 175.29 176.15 1dw1 n THR 34 N -0.90 0.00 1.02 -0.19 -2.24 -1.26 -4.68 114.28 106.02 1dw1 n THR 34 Ca -0.08 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.35 1dw1 n THR 34 Cb 0.57 1.04 0.33 0.00 -2.10 0.00 0.00 70.33 70.17 1dw1 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw1 n GLY 35 N 0.16 -1.27 0.00 3.38 0.00 -1.26 -4.94 105.19 101.26 1dw1 n GLY 35 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1dw1 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw1 n GLY 36 N 1.49 2.09 3.78 -0.02 0.00 -1.16 -4.16 105.19 107.21 1dw1 n GLY 36 Ca 0.06 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1dw1 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw1 s LYS 37 N 4.18 3.81 0.14 1.61 1.02 0.19 -4.91 119.74 125.78 1dw1 s LYS 37 Ca 0.00 1.61 -0.17 0.00 0.02 0.00 0.00 55.97 57.43 1dw1 s LYS 37 Cb 0.00 -2.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.99 1dw1 s LYS 37 CO 0.00 -0.47 1.78 -1.00 -0.92 0.00 0.00 175.35 174.74 1dw1 h PRO 38 N 1.94 0.50 0.00 -1.68 0.13 -1.96 -2.74 132.00 128.20 1dw1 h PRO 38 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1dw1 h PRO 38 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1dw1 h PRO 38 CO 0.60 0.37 0.00 -0.40 -0.23 0.00 0.00 178.00 178.34 1dw1 n ASP 39 N -4.80 0.00 -3.40 1.44 3.85 -1.26 -4.20 116.55 108.18 1dw1 n ASP 39 Ca -0.00 -0.07 -0.26 0.00 -0.71 0.00 0.00 54.79 53.74 1dw1 n ASP 39 Cb 0.05 -0.24 -0.09 0.00 -1.35 0.00 0.00 41.12 39.49 1dw1 n ASP 39 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1dw1 n THR 40 N -1.24 -0.37 0.75 2.12 -2.24 -1.03 -4.95 114.28 107.32 1dw1 n THR 40 Ca 0.09 -3.95 0.12 0.00 -2.27 0.00 0.00 64.05 58.04 1dw1 n THR 40 Cb 0.13 -1.86 0.50 0.00 -2.10 0.00 0.00 70.33 67.00 1dw1 n THR 40 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1dw1 n PRO 41 N 2.11 0.08 -3.73 -0.78 -0.04 -1.26 -4.08 135.00 127.30 1dw1 n PRO 41 Ca 0.26 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.76 1dw1 n PRO 41 Cb 0.47 -1.61 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1dw1 n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1dw1 s SER 42 N -3.50 -0.09 0.46 3.54 0.15 -1.26 0.82 113.70 113.83 1dw1 s SER 42 Ca 0.11 -0.42 0.13 0.00 0.70 0.00 0.00 55.95 56.46 1dw1 s SER 42 Cb 0.15 0.41 1.05 0.00 -1.71 0.00 0.00 66.02 65.92 1dw1 s SER 42 CO 0.48 -0.77 2.07 0.00 1.20 0.00 0.00 173.24 176.21 1dw1 h THR 44 N 0.16 0.00 -0.76 0.00 1.35 -1.78 -1.90 112.91 109.98 1dw1 h THR 44 Ca 0.04 -0.33 0.11 0.00 -0.55 0.00 0.00 66.41 65.68 1dw1 h THR 44 Cb 0.10 1.18 -0.08 0.00 -1.73 0.00 0.00 68.15 67.62 1dw1 h THR 44 CO 0.00 0.00 0.39 0.74 -0.25 0.00 0.00 175.52 176.40 1dw1 h THR 45 N 0.00 0.82 0.01 6.82 2.02 -1.60 0.66 112.91 121.64 1dw1 h THR 45 Ca 0.00 -0.21 -0.38 0.00 0.77 0.00 0.00 66.41 66.58 1dw1 h THR 45 Cb 0.40 0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 66.89 1dw1 h THR 45 CO 0.00 0.11 -2.41 0.00 0.37 0.00 0.00 175.52 173.60 1dw1 n HIS 47 N -3.23 0.00 -0.08 0.00 8.25 -0.73 -0.45 115.22 118.98 1dw1 n HIS 47 Ca -0.43 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.04 1dw1 n HIS 47 Cb 1.01 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.94 1dw1 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw1 n GLY 48 N 1.42 -1.85 0.09 -1.41 0.00 0.22 -4.48 105.19 99.17 1dw1 n GLY 48 Ca 0.09 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.74 1dw1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw1 h ALA 49 N -0.07 0.53 -3.50 4.61 0.00 -1.96 -3.41 119.26 115.46 1dw1 h ALA 49 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1dw1 h ALA 49 Cb 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.54 1dw1 h ALA 49 CO 0.00 0.00 -0.70 0.34 0.00 0.00 0.00 179.25 178.89 1dw1 s ASP 50 N -4.83 4.87 0.00 0.00 3.68 -1.26 -4.98 116.67 114.15 1dw1 s ASP 50 Ca 0.03 -1.25 0.28 0.00 2.13 0.00 0.00 52.55 53.73 1dw1 s ASP 50 Cb 0.11 -1.71 1.67 0.00 -1.45 0.00 0.00 42.92 41.54 1dw1 s ASP 50 CO 0.76 -0.25 2.02 1.33 0.13 0.00 0.00 175.17 179.16 1dw1 n VAL 51 N 4.62 0.00 1.05 1.11 0.24 -1.26 -2.12 118.33 121.98 1dw1 n VAL 51 Ca -0.13 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.30 1dw1 n VAL 51 Cb 0.43 -0.53 0.53 0.00 -1.47 0.00 0.00 33.84 32.81 1dw1 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw1 n THR 52 N -0.98 0.00 -4.07 3.34 -2.24 -1.26 -1.40 114.28 107.67 1dw1 n THR 52 Ca 0.21 -0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.76 1dw1 n THR 52 Cb 0.10 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 1dw1 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw1 s ARG 53 N -2.94 3.08 0.51 -0.78 0.52 -0.90 -4.86 118.95 113.58 1dw1 s ARG 53 Ca 0.15 -0.94 -0.22 0.00 -0.52 0.00 0.00 55.73 54.20 1dw1 s ARG 53 Cb 0.19 -2.68 -0.06 0.00 0.52 0.00 0.00 34.95 32.92 1dw1 s ARG 53 CO 0.56 0.42 1.28 0.00 0.02 0.00 0.00 175.30 177.59 1dw1 s ALA 54 N -2.04 2.89 0.05 2.13 0.00 -1.26 -4.20 121.76 119.32 1dw1 s ALA 54 Ca 0.33 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1dw1 s ALA 54 Cb -0.08 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1dw1 s ALA 54 CO 0.26 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1dw1 n GLY 55 N 0.61 1.79 3.26 0.00 0.00 0.38 -4.84 105.19 106.39 1dw1 n GLY 55 Ca 0.09 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 1dw1 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw1 s GLN 56 N -1.74 0.42 1.13 1.61 0.00 0.40 -0.96 119.66 120.52 1dw1 s GLN 56 Ca 0.00 0.54 -0.19 0.00 -0.00 0.00 0.00 55.36 55.72 1dw1 s GLN 56 Cb 0.00 0.18 0.26 0.00 0.00 0.00 0.00 33.01 33.45 1dw1 s GLN 56 CO 0.00 -0.07 1.20 0.95 0.00 0.00 0.00 175.29 177.38 1dw1 s THR 57 N 0.35 1.73 -2.00 3.63 -4.23 0.33 -4.35 115.64 111.11 1dw1 s THR 57 Ca -0.01 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.66 1dw1 s THR 57 Cb -0.03 -2.69 0.47 0.00 1.34 0.00 0.00 72.50 71.58 1dw1 s THR 57 CO -0.01 0.00 1.44 0.54 -0.54 0.00 0.00 174.62 176.05 1dw1 n ARG 58 N -4.42 0.68 0.00 3.99 5.12 -1.26 -0.78 116.66 120.00 1dw1 n ARG 58 Ca 0.15 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.08 1dw1 n ARG 58 Cb 0.60 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1dw1 n ARG 58 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1dw1 n THR 59 N -0.88 0.00 -0.22 0.55 -1.04 -1.26 -5.01 114.28 106.43 1dw1 n THR 59 Ca 0.12 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1dw1 n THR 59 Cb 0.06 1.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1dw1 n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dw1 n GLY 60 N 0.50 0.86 3.77 3.41 0.00 0.04 -5.06 105.19 108.72 1dw1 n GLY 60 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1dw1 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw1 s LYS 61 N -0.78 4.64 0.29 1.61 -0.14 -1.26 -4.71 119.74 119.38 1dw1 s LYS 61 Ca 0.00 1.44 -0.29 0.00 -1.36 0.00 0.00 55.97 55.76 1dw1 s LYS 61 Cb 0.00 -2.97 -0.10 0.00 -1.68 0.00 0.00 37.83 33.08 1dw1 s LYS 61 CO 0.00 0.31 1.42 -2.00 -0.76 0.00 0.00 175.35 174.32 1dw1 s GLU 62 N -1.76 4.27 -0.14 1.68 2.12 -1.26 -0.51 118.70 123.09 1dw1 s GLU 62 Ca 0.47 2.32 -0.02 0.00 0.36 0.00 0.00 54.97 58.11 1dw1 s GLU 62 Cb -0.23 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1dw1 s GLU 62 CO 0.28 -0.38 -0.09 0.42 -0.54 0.00 0.00 175.26 174.95 1dw1 s ILE 63 N -0.42 3.35 0.57 -3.70 1.01 -0.13 -4.83 121.20 117.06 1dw1 s ILE 63 Ca 0.56 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.46 1dw1 s ILE 63 Cb -0.42 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1dw1 s ILE 63 CO 0.48 0.51 1.17 0.00 0.00 0.00 0.00 174.94 177.10 1dw1 n ALA 64 N 3.62 0.85 -1.61 9.38 0.00 -1.26 -0.47 120.51 131.02 1dw1 n ALA 64 Ca -0.18 0.07 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 1dw1 n ALA 64 Cb 0.52 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 1dw1 n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dw1 n PRO 65 N -1.07 1.47 0.19 0.00 -0.02 -1.26 -4.55 135.00 129.76 1dw1 n PRO 65 Ca 0.13 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1dw1 n PRO 65 Cb 0.46 -1.92 0.20 0.00 -0.02 0.00 0.00 33.50 32.21 1dw1 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw1 h LEU 66 N 2.06 0.00 -9.59 2.45 3.38 -1.69 -3.40 115.31 108.52 1dw1 h LEU 66 Ca -0.41 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.04 1dw1 h LEU 66 Cb 1.33 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.11 1dw1 h LEU 66 CO 0.61 0.25 0.77 0.00 0.09 0.00 0.00 178.44 180.17 1dw1 s ALA 67 N -3.22 3.65 0.56 1.53 0.00 -0.49 -4.88 121.76 118.91 1dw1 s ALA 67 Ca 0.04 1.21 0.24 0.00 0.00 0.00 0.00 51.96 53.46 1dw1 s ALA 67 Cb 0.07 -3.56 1.59 0.00 0.00 0.00 0.00 23.12 21.23 1dw1 s ALA 67 CO 0.69 -0.67 2.21 -1.35 0.00 0.00 0.00 175.76 176.63 1dw1 h PRO 68 N 6.61 0.00 0.00 0.00 0.11 -1.76 0.17 132.00 137.13 1dw1 h PRO 68 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1dw1 h PRO 68 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1dw1 h PRO 68 CO 0.87 0.00 -0.14 0.66 -0.21 0.00 0.00 178.00 179.18 1dw1 h SER 69 N 0.00 0.00 0.00 -2.05 4.64 -1.91 -3.08 113.55 111.16 1dw1 h SER 69 Ca 0.01 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1dw1 h SER 69 Cb 0.03 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 1dw1 h SER 69 CO -0.00 0.14 -2.33 0.00 -0.87 0.00 0.00 176.83 173.77 1dw1 n ALA 70 N -2.41 1.51 -3.84 5.18 0.00 -0.00 -4.87 120.51 116.09 1dw1 n ALA 70 Ca -0.02 -1.17 -0.30 0.00 0.00 0.00 0.00 53.44 51.95 1dw1 n ALA 70 Cb 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 1dw1 n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dw1 s THR 71 N -2.47 1.16 0.20 0.00 -1.32 0.38 -4.96 115.64 108.63 1dw1 s THR 71 Ca -0.19 -1.22 -0.20 0.00 -1.21 0.00 0.00 61.69 58.87 1dw1 s THR 71 Cb 0.07 -1.66 0.15 0.00 -1.51 0.00 0.00 72.50 69.55 1dw1 s THR 71 CO 0.69 -0.35 1.57 -0.65 -2.21 0.00 0.00 174.62 173.67 1dw1 h PRO 72 N 8.03 -0.10 -0.36 7.08 0.11 -1.84 -3.07 132.00 141.85 1dw1 h PRO 72 Ca -0.15 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1dw1 h PRO 72 Cb 1.06 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dw1 h PRO 72 CO 0.42 -0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 177.75 1dw1 n ASP 73 N -5.44 0.78 -4.71 -2.05 5.75 -1.26 -4.94 116.55 104.68 1dw1 n ASP 73 Ca 0.06 -2.03 -0.42 0.00 -0.01 0.00 0.00 54.79 52.39 1dw1 n ASP 73 Cb 0.37 -0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1dw1 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dw1 n ARG 74 N -0.16 2.17 -3.13 0.11 5.12 -1.16 -3.22 116.66 116.40 1dw1 n ARG 74 Ca 0.03 0.76 -0.22 0.00 -1.93 0.00 0.00 57.85 56.49 1dw1 n ARG 74 Cb 0.16 -2.40 0.05 0.00 -1.16 0.00 0.00 32.46 29.10 1dw1 n ARG 74 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1dw1 n PHE 75 N 0.20 -2.12 -0.34 -1.55 3.72 -1.26 -4.84 117.46 111.28 1dw1 n PHE 75 Ca 0.05 0.62 0.05 0.00 -0.05 0.00 0.00 57.45 58.11 1dw1 n PHE 75 Cb 0.38 -4.53 0.11 0.00 -0.94 0.00 0.00 39.48 34.50 1dw1 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw1 n THR 76 N -4.59 1.29 -3.68 4.37 -2.24 -1.20 -3.18 114.28 105.04 1dw1 n THR 76 Ca -0.08 -1.27 -0.25 0.00 -2.27 0.00 0.00 64.05 60.17 1dw1 n THR 76 Cb 0.60 0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.97 1dw1 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw1 s ASP 77 N -1.35 2.25 0.21 3.42 -1.08 -1.26 -1.86 116.67 117.00 1dw1 s ASP 77 Ca 0.19 -0.51 -0.08 0.00 -0.52 0.00 0.00 52.55 51.63 1dw1 s ASP 77 Cb 0.13 -0.36 0.16 0.00 -1.46 0.00 0.00 42.92 41.38 1dw1 s ASP 77 CO 0.08 -0.30 1.77 0.77 0.52 0.00 0.00 175.17 178.01 1dw1 h SER 78 N 8.36 1.11 0.19 -0.34 4.64 -1.91 -2.83 113.55 122.76 1dw1 h SER 78 Ca -0.16 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 1dw1 h SER 78 Cb 1.13 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1dw1 h SER 78 CO 0.28 0.99 -0.32 0.00 -0.87 0.00 0.00 176.83 176.91 1dw1 h ALA 79 N 1.17 1.26 -0.40 5.18 0.00 -1.99 -2.63 119.26 121.84 1dw1 h ALA 79 Ca 0.26 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1dw1 h ALA 79 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1dw1 h ALA 79 CO -0.02 0.50 -0.24 -0.09 0.00 0.00 0.00 179.25 179.40 1dw1 h ARG 80 N 0.18 0.83 -0.29 0.00 2.43 -1.94 0.14 114.38 115.73 1dw1 h ARG 80 Ca 0.02 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1dw1 h ARG 80 Cb 0.66 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1dw1 h ARG 80 CO 0.05 0.98 0.13 0.28 -1.51 0.00 0.00 179.97 179.90 1dw1 h VAL 81 N 0.71 1.16 -0.65 0.20 2.07 -1.43 -2.04 116.25 116.28 1dw1 h VAL 81 Ca 0.09 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1dw1 h VAL 81 Cb 0.78 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1dw1 h VAL 81 CO 0.06 0.17 0.24 -0.33 0.02 0.00 0.00 177.57 177.73 1dw1 h GLU 82 N 0.32 0.98 -0.26 1.57 4.39 -1.16 -0.20 114.58 120.23 1dw1 h GLU 82 Ca 0.10 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1dw1 h GLU 82 Cb 0.15 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1dw1 h GLU 82 CO -0.01 0.84 0.16 -0.22 -1.16 0.00 0.00 179.01 178.61 1dw1 h LYS 83 N 0.92 0.35 0.04 2.33 3.64 -0.51 0.22 116.57 123.56 1dw1 h LYS 83 Ca 0.21 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1dw1 h LYS 83 Cb 0.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1dw1 h LYS 83 CO -0.01 0.27 -0.02 -1.49 -2.27 0.00 0.00 179.45 175.93 1dw1 h TRP 84 N 0.33 -0.05 -0.29 1.91 4.06 -1.29 -3.03 115.95 117.57 1dw1 h TRP 84 Ca 0.09 -0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1dw1 h TRP 84 Cb 0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.18 1dw1 h TRP 84 CO -0.05 0.52 0.17 -0.07 -3.56 0.00 0.00 178.44 175.46 1dw1 h LEU 85 N -0.68 0.35 -1.92 -4.49 3.38 -1.08 0.60 115.31 111.45 1dw1 h LEU 85 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1dw1 h LEU 85 Cb 0.60 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1dw1 h LEU 85 CO 0.01 0.28 -0.03 1.23 0.09 0.00 0.00 178.44 180.02 1dw1 h GLY 86 N 0.45 0.01 0.00 0.83 0.00 -0.57 -0.33 103.07 103.47 1dw1 h GLY 86 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1dw1 h GLY 86 CO -0.02 0.01 -0.68 -0.09 0.00 0.00 0.00 176.54 175.76 1dw1 h ARG 87 N 0.01 0.00 0.00 4.80 2.43 -0.94 -3.41 114.38 117.28 1dw1 h ARG 87 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dw1 h ARG 87 Cb 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1dw1 h ARG 87 CO 0.00 0.69 -0.40 0.09 -1.51 0.00 0.00 179.97 178.85 1dw1 n ASN 88 N -4.55 0.59 -0.13 -3.80 3.02 0.02 -2.47 115.26 107.94 1dw1 n ASN 88 Ca -0.19 0.18 -0.09 0.00 -0.03 0.00 0.00 54.58 54.45 1dw1 n ASN 88 Cb 0.48 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1dw1 n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dw1 h ASN 90 N 0.48 0.38 -0.73 0.00 2.35 -1.47 0.17 115.58 116.76 1dw1 h ASN 90 Ca 0.13 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1dw1 h ASN 90 Cb 0.23 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 1dw1 h ASN 90 CO -0.01 0.31 0.44 0.77 -1.65 0.00 0.00 177.43 177.29 1dw1 h SER 91 N 0.41 0.88 0.00 5.81 4.64 -1.23 0.07 113.55 124.14 1dw1 h SER 91 Ca 0.11 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.20 1dw1 h SER 91 Cb -0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1dw1 h SER 91 CO -0.02 0.69 -1.03 0.58 -0.87 0.00 0.00 176.83 176.18 1dw1 h VAL 92 N 1.02 1.00 0.00 0.95 2.07 -1.10 0.54 116.25 120.73 1dw1 h VAL 92 Ca 0.26 -2.14 -0.18 0.00 0.82 0.00 0.00 66.70 65.46 1dw1 h VAL 92 Cb -0.03 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 1dw1 h VAL 92 CO -0.05 0.34 -1.60 -0.38 0.02 0.00 0.00 177.57 175.90 1dw1 n ILE 93 N -4.47 1.12 -0.25 4.57 5.41 0.58 -3.00 119.36 123.32 1dw1 n ILE 93 Ca -0.27 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 62.78 1dw1 n ILE 93 Cb 0.63 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1dw1 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw1 n GLY 94 N 1.43 0.75 3.71 7.39 0.00 0.01 -3.77 105.19 114.71 1dw1 n GLY 94 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 1dw1 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw1 s ARG 95 N -0.75 1.66 0.61 1.61 1.70 -1.25 -4.91 118.95 117.62 1dw1 s ARG 95 Ca 0.00 -1.14 -0.18 0.00 -0.47 0.00 0.00 55.73 53.94 1dw1 s ARG 95 Cb 0.00 0.53 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 1dw1 s ARG 95 CO 0.00 -0.72 1.18 -0.51 -1.08 0.00 0.00 175.30 174.17 1dw1 s ASP 96 N -2.98 5.14 0.42 -2.89 1.01 -1.26 -2.79 116.67 113.32 1dw1 s ASP 96 Ca 0.17 2.31 -0.23 0.00 0.71 0.00 0.00 52.55 55.51 1dw1 s ASP 96 Cb -0.03 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 1dw1 s ASP 96 CO 0.08 -1.62 1.05 0.00 0.21 0.00 0.00 175.17 174.89 1dw1 s THR 98 N -1.72 2.70 0.40 0.00 -4.23 -1.26 -4.85 115.64 106.68 1dw1 s THR 98 Ca 0.60 0.23 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 1dw1 s THR 98 Cb -0.21 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.68 1dw1 s THR 98 CO 0.26 -0.30 1.97 1.55 -0.54 0.00 0.00 174.62 177.57 1dw1 h PRO 99 N -0.98 0.30 -0.52 3.99 0.13 -1.93 0.09 132.00 133.08 1dw1 h PRO 99 Ca -0.46 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.50 1dw1 h PRO 99 Cb 1.29 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1dw1 h PRO 99 CO 0.64 0.34 -0.12 0.78 -0.23 0.00 0.00 178.00 179.41 1dw1 h GLY 100 N 0.61 1.08 0.99 1.56 0.00 -1.90 0.52 103.07 105.92 1dw1 h GLY 100 Ca 0.07 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 1dw1 h GLY 100 CO 0.01 0.81 0.24 0.83 0.00 0.00 0.00 176.54 178.43 1dw1 h GLU 101 N 0.86 0.83 -0.76 4.80 5.08 -1.66 -0.45 114.58 123.27 1dw1 h GLU 101 Ca 0.13 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1dw1 h GLU 101 Cb 0.68 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1dw1 h GLU 101 CO 0.05 0.70 0.31 0.87 -1.00 0.00 0.00 179.01 179.94 1dw1 h LYS 102 N 0.77 1.13 0.15 2.33 1.57 -0.82 0.12 116.57 121.82 1dw1 h LYS 102 Ca 0.19 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1dw1 h LYS 102 Cb 0.17 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1dw1 h LYS 102 CO -0.02 0.92 -0.07 0.00 -0.57 0.00 0.00 179.45 179.71 1dw1 h ALA 103 N 1.16 -0.20 -0.31 3.86 0.00 -0.65 -1.06 119.26 122.06 1dw1 h ALA 103 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1dw1 h ALA 103 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1dw1 h ALA 103 CO -0.02 -0.60 0.20 -0.44 0.00 0.00 0.00 179.25 178.39 1dw1 h ASP 104 N -0.23 0.37 -0.14 0.00 3.45 -0.82 -0.53 116.42 118.51 1dw1 h ASP 104 Ca -0.02 -0.03 0.01 0.00 0.43 0.00 0.00 57.03 57.42 1dw1 h ASP 104 Cb 0.18 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1dw1 h ASP 104 CO 0.03 0.28 0.07 -0.07 -1.57 0.00 0.00 179.24 177.98 1dw1 h LEU 105 N 0.42 0.10 -0.83 1.55 3.38 -0.68 -2.43 115.31 116.82 1dw1 h LEU 105 Ca 0.11 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1dw1 h LEU 105 Cb -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dw1 h LEU 105 CO -0.02 0.08 -0.20 -0.07 0.09 0.00 0.00 178.44 178.32 1dw1 h LEU 106 N 0.15 0.66 -0.70 1.67 3.38 -1.15 -0.82 115.31 118.51 1dw1 h LEU 106 Ca 0.06 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1dw1 h LEU 106 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1dw1 h LEU 106 CO -0.04 0.86 0.44 0.00 0.09 0.00 0.00 178.44 179.78 1dw1 h ALA 107 N 1.20 0.91 0.06 1.53 0.00 -0.91 0.34 119.26 122.38 1dw1 h ALA 107 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dw1 h ALA 107 Cb 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1dw1 h ALA 107 CO 0.05 0.21 -0.03 2.35 0.00 0.00 0.00 179.25 181.83 1dw1 h TRP 108 N 0.85 -0.07 -0.94 0.00 7.01 -1.20 -3.27 115.95 118.33 1dw1 h TRP 108 Ca 0.28 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 1dw1 h TRP 108 Cb 0.02 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.06 1dw1 h TRP 108 CO -0.04 0.28 0.58 -0.07 -2.79 0.00 0.00 178.44 176.40 1dw1 h LEU 109 N -0.43 1.12 -2.12 0.65 3.38 -0.96 -2.62 115.31 114.33 1dw1 h LEU 109 Ca -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1dw1 h LEU 109 Cb 0.38 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1dw1 h LEU 109 CO 0.01 0.85 -0.06 0.00 0.09 0.00 0.00 178.44 179.34 1dw1 h ALA 110 N 1.32 1.15 -0.16 1.53 0.00 -0.41 -2.21 119.26 120.47 1dw1 h ALA 110 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1dw1 h ALA 110 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dw1 h ALA 110 CO -0.07 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1dw1 n ALA 111 N -2.18 2.52 1.43 0.00 0.00 -0.99 -4.73 120.51 116.56 1dw1 n ALA 111 Ca -0.02 -0.51 0.14 0.00 0.00 0.00 0.00 53.44 53.05 1dw1 n ALA 111 Cb 0.20 -1.09 0.47 0.00 0.00 0.00 0.00 19.45 19.03 1dw1 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54