#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw3 n ASP 2 N 0.00 0.00 -1.51 1.61 5.75 -1.15 -4.30 116.55 116.96 1dw3 n ASP 2 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 1dw3 n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1dw3 n ASP 2 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dw3 n THR 3 N 0.00 0.00 -3.79 2.12 5.66 -0.47 -4.89 114.28 112.91 1dw3 n THR 3 Ca 0.00 -0.35 -0.10 0.00 -3.05 0.00 0.00 64.05 60.56 1dw3 n THR 3 Cb 0.00 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.00 1dw3 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw3 s SER 4 N -1.58 -0.06 0.19 1.09 1.04 -1.25 -4.41 113.70 108.72 1dw3 s SER 4 Ca 0.06 -0.56 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 1dw3 s SER 4 Cb -0.01 0.43 0.20 0.00 0.10 0.00 0.00 66.02 66.75 1dw3 s SER 4 CO 0.04 -0.84 1.71 -0.65 0.98 0.00 0.00 173.24 174.48 1dw3 h PRO 5 N 2.51 0.21 -0.50 4.02 0.11 -1.81 -0.61 132.00 135.92 1dw3 h PRO 5 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 1dw3 h PRO 5 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1dw3 h PRO 5 CO 0.49 0.14 0.25 0.00 -0.21 0.00 0.00 178.00 178.67 1dw3 h ALA 6 N 1.41 1.50 -0.14 -0.75 0.00 -1.97 -1.32 119.26 117.99 1dw3 h ALA 6 Ca 0.26 -0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.85 1dw3 h ALA 6 Cb 0.36 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1dw3 h ALA 6 CO -0.35 0.41 -0.79 1.96 0.00 0.00 0.00 179.25 180.48 1dw3 h GLN 7 N 0.70 0.75 -0.54 0.00 4.20 -1.73 -2.66 115.11 115.83 1dw3 h GLN 7 Ca 0.18 -0.62 -0.10 0.00 0.06 0.00 0.00 58.65 58.17 1dw3 h GLN 7 Cb 0.06 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1dw3 h GLN 7 CO -0.03 1.23 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.25 1dw3 h LEU 8 N 0.51 0.98 -0.32 1.46 4.07 -0.87 -2.01 115.31 119.12 1dw3 h LEU 8 Ca -0.05 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.57 1dw3 h LEU 8 Cb 1.41 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1dw3 h LEU 8 CO 0.16 1.07 0.14 0.40 -1.08 0.00 0.00 178.44 179.13 1dw3 h ILE 9 N 0.87 1.17 -0.67 1.22 2.04 -1.28 -1.31 117.51 119.55 1dw3 h ILE 9 Ca 0.15 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.55 1dw3 h ILE 9 Cb 0.59 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1dw3 h ILE 9 CO 0.04 0.18 0.36 0.00 0.00 0.00 0.00 178.15 178.73 1dw3 h ALA 10 N 0.99 0.89 -0.46 1.87 0.00 -1.33 0.78 119.26 121.99 1dw3 h ALA 10 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1dw3 h ALA 10 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1dw3 h ALA 10 CO -0.01 0.03 -0.08 0.78 0.00 0.00 0.00 179.25 179.97 1dw3 h GLY 11 N 0.67 0.94 1.16 0.00 0.00 -1.13 -1.66 103.07 103.05 1dw3 h GLY 11 Ca 0.30 -0.76 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1dw3 h GLY 11 CO -0.19 0.69 0.04 -0.97 0.00 0.00 0.00 176.54 176.11 1dw3 h TYR 12 N 0.71 1.09 -0.52 5.60 0.99 -0.80 -2.05 116.97 121.99 1dw3 h TYR 12 Ca 0.12 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1dw3 h TYR 12 Cb 0.62 -0.29 -0.03 0.00 1.00 0.00 0.00 36.73 38.03 1dw3 h TYR 12 CO 0.05 0.95 0.20 0.93 -0.00 0.00 0.00 178.16 180.29 1dw3 h GLU 13 N 0.94 0.75 -0.37 4.88 5.08 -0.59 0.47 114.58 125.74 1dw3 h GLU 13 Ca 0.18 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1dw3 h GLU 13 Cb 0.49 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1dw3 h GLU 13 CO 0.02 0.62 -0.38 0.00 -1.00 0.00 0.00 179.01 178.27 1dw3 h ALA 14 N 1.49 0.54 0.00 3.43 0.00 -0.97 0.10 119.26 123.85 1dw3 h ALA 14 Ca 0.18 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1dw3 h ALA 14 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dw3 h ALA 14 CO -0.02 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.41 1dw3 h ALA 15 N 0.76 1.02 0.00 0.00 0.00 -1.09 -2.90 119.26 117.05 1dw3 h ALA 15 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1dw3 h ALA 15 Cb 0.97 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1dw3 h ALA 15 CO 0.09 0.58 -0.74 0.00 0.00 0.00 0.00 179.25 179.19 1dw3 h ALA 16 N 1.53 0.65 -0.06 0.00 0.00 -0.59 -3.47 119.26 117.32 1dw3 h ALA 16 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1dw3 h ALA 16 Cb 0.95 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1dw3 h ALA 16 CO 0.06 0.72 -0.02 0.41 0.00 0.00 0.00 179.25 180.42 1dw3 n GLY 17 N 1.27 0.49 3.44 0.00 0.00 -0.01 -4.86 105.19 105.52 1dw3 n GLY 17 Ca -0.01 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1dw3 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw3 s ALA 18 N -2.03 -1.51 0.54 4.61 0.00 -1.11 -5.05 121.76 117.21 1dw3 s ALA 18 Ca 0.00 0.88 -0.21 0.00 0.00 0.00 0.00 51.96 52.63 1dw3 s ALA 18 Cb 0.00 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1dw3 s ALA 18 CO 0.00 -0.45 1.28 -2.14 0.00 0.00 0.00 175.76 174.45 1dw3 s PRO 19 N -1.94 3.21 0.51 0.00 0.02 -1.26 -4.60 135.00 130.93 1dw3 s PRO 19 Ca -0.08 2.05 -0.22 0.00 0.02 0.00 0.00 61.00 62.77 1dw3 s PRO 19 Cb -0.01 -2.20 -0.06 0.00 0.02 0.00 0.00 34.50 32.25 1dw3 s PRO 19 CO 0.03 -1.08 1.21 0.00 -0.33 0.00 0.00 177.00 176.82 1dw3 s ALA 20 N -1.41 2.85 -0.28 -1.55 0.00 -1.26 -4.97 121.76 115.13 1dw3 s ALA 20 Ca 0.72 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.72 1dw3 s ALA 20 Cb -0.36 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.41 1dw3 s ALA 20 CO 0.42 -0.89 -0.05 0.34 0.00 0.00 0.00 175.76 175.58 1dw3 s ASP 21 N -1.36 4.43 0.33 0.00 -1.08 -1.26 -4.96 116.67 112.76 1dw3 s ASP 21 Ca 0.68 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.13 1dw3 s ASP 21 Cb -0.31 -1.49 0.55 0.00 -1.46 0.00 0.00 42.92 40.21 1dw3 s ASP 21 CO 0.36 -0.26 1.99 0.00 0.52 0.00 0.00 175.17 177.78 1dw3 h ALA 22 N 7.77 1.49 -0.65 3.66 0.00 -1.90 -1.57 119.26 128.05 1dw3 h ALA 22 Ca -0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1dw3 h ALA 22 Cb 1.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1dw3 h ALA 22 CO 0.47 0.47 0.16 0.93 0.00 0.00 0.00 179.25 181.28 1dw3 h GLU 23 N 0.98 1.02 -0.18 0.00 4.39 -1.94 0.13 114.58 118.98 1dw3 h GLU 23 Ca 0.27 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.58 1dw3 h GLU 23 Cb -0.09 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1dw3 h GLU 23 CO -0.06 0.90 -0.56 0.00 -1.16 0.00 0.00 179.01 178.13 1dw3 h ARG 24 N 0.97 0.57 -0.64 2.33 3.08 -1.75 -1.77 114.38 117.17 1dw3 h ARG 24 Ca 0.21 -0.37 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 1dw3 h ARG 24 Cb 0.34 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1dw3 h ARG 24 CO 0.00 0.98 0.09 0.78 -1.07 0.00 0.00 179.97 180.75 1dw3 h GLY 25 N 1.04 1.16 1.00 0.04 0.00 -0.77 -1.43 103.07 104.12 1dw3 h GLY 25 Ca 0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 1dw3 h GLY 25 CO 0.11 0.73 0.42 -0.09 0.00 0.00 0.00 176.54 177.71 1dw3 h ARG 26 N 0.99 0.94 -0.58 4.80 2.43 -0.57 -0.89 114.38 121.50 1dw3 h ARG 26 Ca 0.19 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1dw3 h ARG 26 Cb 0.46 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1dw3 h ARG 26 CO 0.02 0.66 0.09 0.00 -1.51 0.00 0.00 179.97 179.23 1dw3 h ALA 27 N 1.22 0.77 -0.16 2.80 0.00 -1.13 -2.05 119.26 120.71 1dw3 h ALA 27 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dw3 h ALA 27 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1dw3 h ALA 27 CO -0.05 0.52 0.04 1.25 0.00 0.00 0.00 179.25 181.02 1dw3 h LEU 28 N 0.86 0.24 -0.74 0.00 5.85 -0.90 -1.68 115.31 118.93 1dw3 h LEU 28 Ca 0.18 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1dw3 h LEU 28 Cb 0.42 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1dw3 h LEU 28 CO 0.01 0.40 0.42 0.15 -0.34 0.00 0.00 178.44 179.08 1dw3 h PHE 29 N 0.06 0.76 -0.00 1.25 3.57 -0.98 -2.36 116.94 119.25 1dw3 h PHE 29 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1dw3 h PHE 29 Cb 0.26 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1dw3 h PHE 29 CO 0.01 0.34 -0.30 1.28 -2.23 0.00 0.00 178.31 177.41 1dw3 n LEU 30 N -4.76 0.36 -4.64 0.59 4.77 -0.79 -3.47 117.00 109.06 1dw3 n LEU 30 Ca 0.11 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.94 1dw3 n LEU 30 Cb 0.22 -0.32 0.18 0.00 -2.33 0.00 0.00 43.42 41.17 1dw3 n LEU 30 CO 0.28 0.09 0.62 -0.94 -1.33 0.00 0.00 177.39 176.10 1dw3 s SER 31 N -2.93 2.44 -0.23 -1.43 1.04 -0.64 -4.95 113.70 107.00 1dw3 s SER 31 Ca 0.14 1.41 -0.06 0.00 0.48 0.00 0.00 55.95 57.92 1dw3 s SER 31 Cb 0.18 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 1dw3 s SER 31 CO 0.62 -3.28 0.04 -0.89 0.98 0.00 0.00 173.24 170.71 1dw3 s THR 32 N -2.81 4.14 0.04 2.02 2.01 -1.26 -4.45 115.64 115.33 1dw3 s THR 32 Ca 0.66 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1dw3 s THR 32 Cb -0.20 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 1dw3 s THR 32 CO 0.59 0.38 -0.08 -1.10 -0.69 0.00 0.00 174.62 173.72 1dw3 s GLN 33 N 1.38 2.42 0.00 4.92 -1.52 0.52 -5.03 119.66 122.35 1dw3 s GLN 33 Ca 0.05 -0.82 0.11 0.00 -1.95 0.00 0.00 55.36 52.75 1dw3 s GLN 33 Cb -0.15 -2.44 -0.07 0.00 -0.22 0.00 0.00 33.01 30.13 1dw3 s GLN 33 CO 0.02 0.57 0.56 0.25 -0.25 0.00 0.00 175.29 176.44 1dw3 n THR 34 N 1.26 0.00 1.20 -0.19 -2.24 -1.26 -4.68 114.28 108.36 1dw3 n THR 34 Ca -0.14 -0.30 0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1dw3 n THR 34 Cb 0.52 1.06 0.56 0.00 -2.10 0.00 0.00 70.33 70.37 1dw3 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw3 n GLY 35 N 1.13 -1.22 0.00 3.38 0.00 -1.26 -4.93 105.19 102.29 1dw3 n GLY 35 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1dw3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw3 n GLY 36 N 1.40 4.16 3.75 -0.02 0.00 -1.17 -4.02 105.19 109.28 1dw3 n GLY 36 Ca 0.10 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1dw3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw3 s LYS 37 N 4.48 4.11 0.43 1.61 3.01 0.23 -4.92 119.74 128.69 1dw3 s LYS 37 Ca 0.00 2.61 0.18 0.00 -1.01 0.00 0.00 55.97 57.75 1dw3 s LYS 37 Cb 0.00 -3.02 0.97 0.00 -1.01 0.00 0.00 37.83 34.77 1dw3 s LYS 37 CO 0.00 -0.66 1.91 -1.00 0.51 0.00 0.00 175.35 176.11 1dw3 h PRO 38 N 4.98 0.00 -0.24 -1.68 0.13 -1.93 -2.48 132.00 130.78 1dw3 h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1dw3 h PRO 38 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dw3 h PRO 38 CO 0.81 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.45 1dw3 n ASP 39 N -3.94 1.74 -3.44 1.44 3.85 -1.26 -4.31 116.55 110.62 1dw3 n ASP 39 Ca -0.02 -1.82 -0.26 0.00 -0.71 0.00 0.00 54.79 51.98 1dw3 n ASP 39 Cb 0.34 -0.16 -0.09 0.00 -1.35 0.00 0.00 41.12 39.87 1dw3 n ASP 39 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1dw3 n THR 40 N 0.40 0.06 1.55 2.12 -2.24 -0.93 -4.96 114.28 110.27 1dw3 n THR 40 Ca 0.14 -4.16 0.15 0.00 -2.27 0.00 0.00 64.05 57.92 1dw3 n THR 40 Cb 0.32 -1.91 0.77 0.00 -2.10 0.00 0.00 70.33 67.40 1dw3 n THR 40 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1dw3 n PRO 41 N 1.95 0.64 -3.79 -0.78 -0.04 -1.26 -4.21 135.00 127.51 1dw3 n PRO 41 Ca 0.25 -0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 1dw3 n PRO 41 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 1dw3 n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1dw3 s SER 42 N -2.41 -0.09 0.51 3.54 0.15 -1.26 -0.35 113.70 113.79 1dw3 s SER 42 Ca 0.33 -0.56 0.28 0.00 0.70 0.00 0.00 55.95 56.70 1dw3 s SER 42 Cb 0.21 0.45 1.37 0.00 -1.71 0.00 0.00 66.02 66.33 1dw3 s SER 42 CO 0.44 -0.87 2.02 0.00 1.20 0.00 0.00 173.24 176.03 1dw3 h THR 44 N 0.00 0.00 -0.59 0.00 1.35 -1.77 -2.72 112.91 109.18 1dw3 h THR 44 Ca -0.00 -0.36 0.12 0.00 -0.55 0.00 0.00 66.41 65.62 1dw3 h THR 44 Cb 0.42 1.20 -0.09 0.00 -1.73 0.00 0.00 68.15 67.95 1dw3 h THR 44 CO 0.02 0.00 0.06 0.74 -0.25 0.00 0.00 175.52 176.09 1dw3 h THR 45 N 0.00 0.58 0.00 6.82 2.02 -1.68 -0.29 112.91 120.36 1dw3 h THR 45 Ca 0.00 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.99 1dw3 h THR 45 Cb 0.50 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1dw3 h THR 45 CO 0.00 0.03 -1.91 0.00 0.37 0.00 0.00 175.52 174.02 1dw3 n HIS 47 N -2.30 0.02 -0.16 0.00 8.25 -1.04 -0.45 115.22 119.54 1dw3 n HIS 47 Ca -0.13 0.01 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1dw3 n HIS 47 Cb 0.69 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 1dw3 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw3 n GLY 48 N 1.43 -1.71 0.09 -1.41 0.00 -0.12 -4.40 105.19 99.06 1dw3 n GLY 48 Ca 0.02 -1.47 0.11 0.00 0.00 0.00 0.00 46.02 44.67 1dw3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw3 n ALA 49 N -1.93 2.56 -3.06 4.61 0.00 -1.26 -4.40 120.51 117.03 1dw3 n ALA 49 Ca -0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 1dw3 n ALA 49 Cb 0.07 -1.02 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 1dw3 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dw3 s ASP 50 N -5.19 5.76 0.00 0.00 3.68 -1.26 -4.96 116.67 114.70 1dw3 s ASP 50 Ca -0.02 -1.31 0.11 0.00 2.13 0.00 0.00 52.55 53.45 1dw3 s ASP 50 Cb 0.10 -2.03 0.39 0.00 -1.45 0.00 0.00 42.92 39.93 1dw3 s ASP 50 CO 0.82 -0.51 1.29 1.33 0.13 0.00 0.00 175.17 178.23 1dw3 n VAL 51 N 4.99 0.26 1.27 1.11 0.24 -1.26 -2.45 118.33 122.49 1dw3 n VAL 51 Ca -0.11 -0.28 0.13 0.00 -2.04 0.00 0.00 64.34 62.04 1dw3 n VAL 51 Cb 0.44 0.15 0.42 0.00 -1.47 0.00 0.00 33.84 33.38 1dw3 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw3 n THR 52 N 0.10 0.00 -4.08 3.34 -2.24 -1.26 -1.51 114.28 108.63 1dw3 n THR 52 Ca 0.10 -0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.53 1dw3 n THR 52 Cb 0.20 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 1dw3 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw3 s ARG 53 N -2.51 3.01 0.71 -0.78 0.52 -1.02 -4.88 118.95 113.99 1dw3 s ARG 53 Ca 0.25 -0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 1dw3 s ARG 53 Cb 0.19 -2.65 0.03 0.00 0.52 0.00 0.00 34.95 33.04 1dw3 s ARG 53 CO 0.51 0.44 1.17 0.00 0.02 0.00 0.00 175.30 177.44 1dw3 s ALA 54 N -1.96 2.24 0.00 2.13 0.00 -1.26 -4.26 121.76 118.64 1dw3 s ALA 54 Ca 0.32 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1dw3 s ALA 54 Cb -0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1dw3 s ALA 54 CO 0.25 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.76 1dw3 n GLY 55 N 0.05 5.11 3.54 0.00 0.00 0.08 -4.82 105.19 109.15 1dw3 n GLY 55 Ca 0.12 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1dw3 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw3 s GLN 56 N 2.00 0.97 0.87 1.61 0.00 0.40 -1.67 119.66 123.83 1dw3 s GLN 56 Ca 0.00 0.37 -0.15 0.00 -0.00 0.00 0.00 55.36 55.58 1dw3 s GLN 56 Cb 0.00 0.46 0.20 0.00 0.00 0.00 0.00 33.01 33.67 1dw3 s GLN 56 CO 0.00 -0.28 1.17 0.25 0.00 0.00 0.00 175.29 176.44 1dw3 n THR 57 N 1.19 0.00 -0.07 3.63 -2.24 0.07 -4.41 114.28 112.46 1dw3 n THR 57 Ca -0.17 -0.86 0.09 0.00 -2.27 0.00 0.00 64.05 60.84 1dw3 n THR 57 Cb 0.57 -1.56 0.46 0.00 -2.10 0.00 0.00 70.33 67.70 1dw3 n THR 57 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1dw3 h ARG 58 N 0.00 0.48 -0.03 -0.78 -0.00 -1.94 -1.42 114.38 110.69 1dw3 h ARG 58 Ca -0.38 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.57 1dw3 h ARG 58 Cb 1.05 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1dw3 h ARG 58 CO 0.27 0.32 0.00 0.25 -0.00 0.00 0.00 179.97 180.80 1dw3 n THR 59 N -4.47 0.01 0.00 0.08 -2.24 -1.26 -4.92 114.28 101.48 1dw3 n THR 59 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1dw3 n THR 59 Cb 0.26 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1dw3 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw3 n GLY 60 N 1.20 0.56 3.74 3.38 0.00 -0.54 -5.05 105.19 108.49 1dw3 n GLY 60 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1dw3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw3 s LYS 61 N -0.95 4.62 0.39 1.61 3.01 -1.26 -4.71 119.74 122.45 1dw3 s LYS 61 Ca 0.00 1.67 -0.27 0.00 -1.01 0.00 0.00 55.97 56.36 1dw3 s LYS 61 Cb 0.00 -3.29 -0.11 0.00 -1.01 0.00 0.00 37.83 33.42 1dw3 s LYS 61 CO 0.00 0.11 1.43 -1.91 0.51 0.00 0.00 175.35 175.50 1dw3 n GLU 62 N 2.37 2.46 -4.09 1.68 2.13 -1.26 -0.75 120.64 123.18 1dw3 n GLU 62 Ca 0.02 0.87 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 1dw3 n GLU 62 Cb 0.47 -2.59 -0.16 0.00 0.27 0.00 0.00 31.44 29.42 1dw3 n GLU 62 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1dw3 s ILE 63 N -1.14 1.86 0.78 6.31 1.01 -0.67 -4.86 121.20 124.49 1dw3 s ILE 63 Ca 0.56 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 1dw3 s ILE 63 Cb -0.49 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1dw3 s ILE 63 CO 0.62 0.51 0.98 0.00 0.00 0.00 0.00 174.94 177.05 1dw3 n ALA 64 N 4.67 -0.47 -1.63 9.38 0.00 -1.26 -0.74 120.51 130.46 1dw3 n ALA 64 Ca -0.19 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.55 1dw3 n ALA 64 Cb 0.50 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.86 1dw3 n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dw3 n PRO 65 N -2.37 1.27 0.13 0.00 -0.02 -1.26 -4.51 135.00 128.25 1dw3 n PRO 65 Ca 0.12 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1dw3 n PRO 65 Cb 0.50 -2.15 0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1dw3 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw3 h LEU 66 N 1.22 0.00 -9.50 2.45 3.38 -1.60 -3.42 115.31 107.84 1dw3 h LEU 66 Ca -0.47 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.97 1dw3 h LEU 66 Cb 1.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 1dw3 h LEU 66 CO 0.55 0.21 0.68 0.00 0.09 0.00 0.00 178.44 179.97 1dw3 s ALA 67 N -3.15 3.52 0.57 1.53 0.00 -0.57 -4.88 121.76 118.77 1dw3 s ALA 67 Ca 0.02 1.00 0.32 0.00 0.00 0.00 0.00 51.96 53.30 1dw3 s ALA 67 Cb 0.08 -3.51 1.87 0.00 0.00 0.00 0.00 23.12 21.55 1dw3 s ALA 67 CO 0.75 -0.59 2.24 -1.35 0.00 0.00 0.00 175.76 176.81 1dw3 h PRO 68 N 6.93 0.00 0.00 0.00 0.11 -1.77 0.35 132.00 137.62 1dw3 h PRO 68 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1dw3 h PRO 68 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1dw3 h PRO 68 CO 0.85 0.02 -0.24 0.66 -0.21 0.00 0.00 178.00 179.09 1dw3 h SER 69 N 0.00 0.00 0.13 -2.05 4.64 -1.90 -3.09 113.55 111.28 1dw3 h SER 69 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1dw3 h SER 69 Cb 0.07 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1dw3 h SER 69 CO 0.00 0.24 -2.14 0.00 -0.87 0.00 0.00 176.83 174.06 1dw3 n ALA 70 N -2.39 1.19 -3.68 5.18 0.00 -0.43 -4.83 120.51 115.55 1dw3 n ALA 70 Ca -0.02 -0.84 -0.29 0.00 0.00 0.00 0.00 53.44 52.29 1dw3 n ALA 70 Cb 0.32 -0.49 -0.13 0.00 0.00 0.00 0.00 19.45 19.15 1dw3 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw3 s THR 71 N -2.55 1.13 0.64 0.00 2.01 -0.02 -4.97 115.64 111.88 1dw3 s THR 71 Ca -0.22 -2.24 0.36 0.00 0.31 0.00 0.00 61.69 59.90 1dw3 s THR 71 Cb 0.07 -1.80 0.39 0.00 0.01 0.00 0.00 72.50 71.17 1dw3 s THR 71 CO 0.73 -0.87 2.23 -0.65 -0.69 0.00 0.00 174.62 175.37 1dw3 h PRO 72 N 6.99 0.00 -0.60 4.92 0.11 -1.81 -1.84 132.00 139.78 1dw3 h PRO 72 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1dw3 h PRO 72 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1dw3 h PRO 72 CO 0.45 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.84 1dw3 n ASP 73 N -3.36 3.45 -4.75 -2.05 5.75 -1.26 -4.93 116.55 109.40 1dw3 n ASP 73 Ca -0.02 -2.20 -0.38 0.00 -0.01 0.00 0.00 54.79 52.18 1dw3 n ASP 73 Cb 0.17 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 39.84 1dw3 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dw3 s ARG 74 N -1.55 3.18 -1.40 0.11 1.81 -0.69 -3.27 118.95 117.13 1dw3 s ARG 74 Ca 0.39 2.18 -0.09 0.00 -1.72 0.00 0.00 55.73 56.48 1dw3 s ARG 74 Cb 0.23 -2.25 0.04 0.00 -0.45 0.00 0.00 34.95 32.51 1dw3 s ARG 74 CO 0.22 -1.14 1.05 1.19 -0.68 0.00 0.00 175.30 175.94 1dw3 n PHE 75 N -1.01 -2.51 0.16 -0.53 3.72 -1.26 -4.73 117.46 111.30 1dw3 n PHE 75 Ca 0.10 0.95 0.02 0.00 -0.05 0.00 0.00 57.45 58.47 1dw3 n PHE 75 Cb 0.45 -4.59 0.01 0.00 -0.94 0.00 0.00 39.48 34.41 1dw3 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw3 n THR 76 N -4.74 0.00 -4.02 4.37 -2.24 -1.20 -2.88 114.28 103.57 1dw3 n THR 76 Ca -0.04 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.95 1dw3 n THR 76 Cb 0.57 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.70 1dw3 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw3 s ASP 77 N -0.59 3.65 0.26 3.42 -1.08 -1.26 -1.37 116.67 119.70 1dw3 s ASP 77 Ca 0.04 -1.01 -0.01 0.00 -0.52 0.00 0.00 52.55 51.04 1dw3 s ASP 77 Cb 0.03 -1.32 0.35 0.00 -1.46 0.00 0.00 42.92 40.52 1dw3 s ASP 77 CO 0.07 -0.15 1.76 0.77 0.52 0.00 0.00 175.17 178.14 1dw3 h SER 78 N 7.92 0.73 0.39 -0.34 4.64 -1.90 -1.92 113.55 123.07 1dw3 h SER 78 Ca -0.27 -0.18 -0.19 0.00 -0.47 0.00 0.00 61.79 60.68 1dw3 h SER 78 Cb 1.09 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1dw3 h SER 78 CO 0.48 0.81 -0.80 0.00 -0.87 0.00 0.00 176.83 176.45 1dw3 h ALA 79 N 1.27 0.56 -0.62 5.18 0.00 -1.95 -2.76 119.26 120.93 1dw3 h ALA 79 Ca 0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1dw3 h ALA 79 Cb 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dw3 h ALA 79 CO 0.02 0.82 0.04 -0.09 0.00 0.00 0.00 179.25 180.04 1dw3 h ARG 80 N 0.20 1.06 -0.23 0.00 2.43 -1.92 -1.06 114.38 114.87 1dw3 h ARG 80 Ca -0.04 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1dw3 h ARG 80 Cb 1.40 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1dw3 h ARG 80 CO 0.13 1.01 0.08 0.28 -1.51 0.00 0.00 179.97 179.96 1dw3 h VAL 81 N 0.98 1.18 -0.48 0.20 2.07 -1.30 -2.15 116.25 116.75 1dw3 h VAL 81 Ca 0.18 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 1dw3 h VAL 81 Cb 0.50 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1dw3 h VAL 81 CO 0.02 0.18 -0.16 -0.33 0.02 0.00 0.00 177.57 177.30 1dw3 h GLU 82 N 0.21 0.92 0.01 1.57 4.39 -1.37 -1.05 114.58 119.26 1dw3 h GLU 82 Ca 0.08 -0.36 0.03 0.00 0.34 0.00 0.00 59.36 59.45 1dw3 h GLU 82 Cb 0.20 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1dw3 h GLU 82 CO -0.00 1.01 -0.32 -0.22 -1.16 0.00 0.00 179.01 178.32 1dw3 h LYS 83 N 0.81 -0.46 -0.20 2.33 3.64 -1.00 -0.48 116.57 121.22 1dw3 h LYS 83 Ca 0.12 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.36 1dw3 h LYS 83 Cb 0.70 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1dw3 h LYS 83 CO 0.05 -0.30 -0.56 -1.49 -2.27 0.00 0.00 179.45 174.88 1dw3 h TRP 84 N -0.47 0.76 -0.38 1.91 4.06 -1.37 0.03 115.95 120.48 1dw3 h TRP 84 Ca 0.06 -0.27 -0.09 0.00 2.06 0.00 0.00 58.89 60.65 1dw3 h TRP 84 Cb 0.56 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.56 1dw3 h TRP 84 CO -0.34 1.02 -0.14 -0.07 -3.56 0.00 0.00 178.44 175.36 1dw3 h LEU 85 N 0.46 0.67 -0.01 -4.49 3.38 -1.14 0.45 115.31 114.62 1dw3 h LEU 85 Ca 0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1dw3 h LEU 85 Cb 1.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1dw3 h LEU 85 CO 0.11 0.82 -0.01 1.23 0.09 0.00 0.00 178.44 180.69 1dw3 h GLY 86 N 0.97 0.02 0.95 0.83 0.00 -0.47 -0.44 103.07 104.94 1dw3 h GLY 86 Ca 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1dw3 h GLY 86 CO 0.04 0.02 0.10 3.21 0.00 0.00 0.00 176.54 179.91 1dw3 h ARG 87 N -0.42 0.21 -0.01 4.80 3.08 -0.75 -2.71 114.38 118.59 1dw3 h ARG 87 Ca 0.00 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.83 1dw3 h ARG 87 Cb 0.45 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1dw3 h ARG 87 CO 0.00 0.14 -0.87 -0.91 -1.07 0.00 0.00 179.97 177.27 1dw3 h ASN 88 N 0.22 0.41 -0.45 7.04 2.35 -0.12 -1.40 115.58 123.63 1dw3 h ASN 88 Ca 0.07 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.39 1dw3 h ASN 88 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1dw3 h ASN 88 CO -0.04 1.10 -0.21 0.00 -1.65 0.00 0.00 177.43 176.63 1dw3 h ASN 90 N 0.83 0.61 -0.35 0.00 4.21 -1.28 0.21 115.58 119.80 1dw3 h ASN 90 Ca 0.11 -0.28 -0.02 0.00 1.21 0.00 0.00 56.30 57.32 1dw3 h ASN 90 Cb 0.77 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1dw3 h ASN 90 CO 0.06 0.74 0.14 0.28 -1.29 0.00 0.00 177.43 177.36 1dw3 h SER 91 N 0.47 0.49 0.00 5.81 0.02 -1.24 -0.40 113.55 118.69 1dw3 h SER 91 Ca 0.11 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1dw3 h SER 91 Cb 0.40 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1dw3 h SER 91 CO 0.01 0.52 -0.40 0.58 -1.14 0.00 0.00 176.83 176.41 1dw3 h VAL 92 N 0.42 0.97 0.00 2.27 2.07 -1.26 0.68 116.25 121.40 1dw3 h VAL 92 Ca 0.12 -1.86 -0.15 0.00 0.82 0.00 0.00 66.70 65.64 1dw3 h VAL 92 Cb 0.19 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1dw3 h VAL 92 CO -0.01 0.33 -1.18 0.40 0.02 0.00 0.00 177.57 177.13 1dw3 h ILE 93 N -1.00 0.57 0.00 4.57 2.04 -0.73 -3.09 117.51 119.87 1dw3 h ILE 93 Ca -0.09 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1dw3 h ILE 93 Cb 0.81 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1dw3 h ILE 93 CO -0.06 0.33 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1dw3 n GLY 94 N 1.35 0.85 3.83 5.37 0.00 -0.16 -3.71 105.19 112.72 1dw3 n GLY 94 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1dw3 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw3 s ARG 95 N -0.84 1.67 0.51 1.61 1.70 -1.24 -4.91 118.95 117.44 1dw3 s ARG 95 Ca 0.00 -0.92 -0.22 0.00 -0.47 0.00 0.00 55.73 54.12 1dw3 s ARG 95 Cb 0.00 0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 34.90 1dw3 s ARG 95 CO 0.00 -0.76 1.26 -0.51 -1.08 0.00 0.00 175.30 174.21 1dw3 s ASP 96 N -2.92 5.66 0.48 -2.89 1.11 -1.26 -2.74 116.67 114.11 1dw3 s ASP 96 Ca 0.11 2.54 -0.21 0.00 0.18 0.00 0.00 52.55 55.17 1dw3 s ASP 96 Cb -0.05 -2.62 -0.08 0.00 1.07 0.00 0.00 42.92 41.24 1dw3 s ASP 96 CO 0.06 -1.29 1.07 0.00 1.18 0.00 0.00 175.17 176.18 1dw3 s THR 98 N -1.86 3.46 0.32 0.00 -4.23 -1.26 -4.83 115.64 107.24 1dw3 s THR 98 Ca 0.67 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 61.67 1dw3 s THR 98 Cb -0.19 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.64 1dw3 s THR 98 CO 0.23 -0.62 1.94 -0.65 -0.54 0.00 0.00 174.62 174.98 1dw3 h PRO 99 N -0.87 0.91 -0.50 3.99 0.10 -1.91 0.12 132.00 133.85 1dw3 h PRO 99 Ca -0.46 -0.05 -0.05 0.00 0.10 0.00 0.00 66.00 65.54 1dw3 h PRO 99 Cb 1.25 -0.21 -0.02 0.00 0.10 0.00 0.00 31.00 32.12 1dw3 h PRO 99 CO 0.60 0.60 0.13 0.78 0.10 0.00 0.00 178.00 180.21 1dw3 h GLY 100 N 0.94 0.85 1.00 -0.55 0.00 -1.89 -0.21 103.07 103.21 1dw3 h GLY 100 Ca 0.34 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1dw3 h GLY 100 CO -0.12 0.49 0.05 0.83 0.00 0.00 0.00 176.54 177.80 1dw3 h GLU 101 N 0.68 0.85 -0.58 4.80 5.08 -1.69 -0.87 114.58 122.85 1dw3 h GLU 101 Ca 0.16 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1dw3 h GLU 101 Cb 0.32 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1dw3 h GLU 101 CO 0.00 0.86 0.16 0.87 -1.00 0.00 0.00 179.01 179.90 1dw3 h LYS 102 N 0.72 0.90 -0.10 2.33 1.57 -0.48 -0.67 116.57 120.85 1dw3 h LYS 102 Ca 0.15 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1dw3 h LYS 102 Cb 0.44 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1dw3 h LYS 102 CO 0.02 0.83 -0.03 0.00 -0.57 0.00 0.00 179.45 179.69 1dw3 h ALA 103 N 1.04 0.06 -0.29 3.86 0.00 -0.85 -1.33 119.26 121.75 1dw3 h ALA 103 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dw3 h ALA 103 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1dw3 h ALA 103 CO -0.00 -0.49 0.17 -0.44 0.00 0.00 0.00 179.25 178.49 1dw3 h ASP 104 N -0.00 0.35 0.41 0.00 3.45 -1.00 -0.75 116.42 118.88 1dw3 h ASP 104 Ca 0.05 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.43 1dw3 h ASP 104 Cb 0.08 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1dw3 h ASP 104 CO -0.11 0.31 -0.21 -0.07 -1.57 0.00 0.00 179.24 177.59 1dw3 h LEU 105 N 0.37 -0.50 -1.23 1.55 3.38 -0.97 -2.54 115.31 115.36 1dw3 h LEU 105 Ca 0.10 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1dw3 h LEU 105 Cb 0.02 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1dw3 h LEU 105 CO -0.02 -0.35 -0.08 -0.07 0.09 0.00 0.00 178.44 178.01 1dw3 h LEU 106 N -0.57 0.41 -0.78 1.67 3.38 -1.23 -0.82 115.31 117.37 1dw3 h LEU 106 Ca -0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1dw3 h LEU 106 Cb 0.45 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1dw3 h LEU 106 CO 0.09 0.53 0.33 0.00 0.09 0.00 0.00 178.44 179.47 1dw3 h ALA 107 N 1.52 1.01 -0.02 1.53 0.00 -0.96 0.13 119.26 122.47 1dw3 h ALA 107 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1dw3 h ALA 107 Cb 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dw3 h ALA 107 CO 0.02 0.62 -0.02 2.35 0.00 0.00 0.00 179.25 182.21 1dw3 h TRP 108 N 1.12 0.06 -0.51 0.00 7.01 -1.11 -3.11 115.95 119.40 1dw3 h TRP 108 Ca 0.26 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 1dw3 h TRP 108 Cb 0.19 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.22 1dw3 h TRP 108 CO 0.02 0.53 0.05 -0.07 -2.79 0.00 0.00 178.44 176.18 1dw3 h LEU 109 N -0.42 0.84 -0.15 0.65 3.38 -1.05 -2.73 115.31 115.83 1dw3 h LEU 109 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1dw3 h LEU 109 Cb 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1dw3 h LEU 109 CO 0.01 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.45 1dw3 n ALA 110 N -2.42 1.61 1.03 1.53 0.00 0.45 -2.10 120.51 120.61 1dw3 n ALA 110 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1dw3 n ALA 110 Cb 0.28 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.56 1dw3 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dw3 n ALA 111 N -1.56 3.13 1.52 0.00 0.00 -1.03 -4.79 120.51 117.79 1dw3 n ALA 111 Ca 0.03 -0.64 0.14 0.00 0.00 0.00 0.00 53.44 52.97 1dw3 n ALA 111 Cb 0.17 -0.83 0.54 0.00 0.00 0.00 0.00 19.45 19.33 1dw3 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54