#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw1 s ASP 2 N 0.00 6.53 0.19 1.61 1.01 -1.26 -2.58 116.67 122.16 1dw1 s ASP 2 Ca 0.00 0.63 -0.02 0.00 0.71 0.00 0.00 52.55 53.86 1dw1 s ASP 2 Cb 0.00 -2.21 0.01 0.00 1.01 0.00 0.00 42.92 41.73 1dw1 s ASP 2 CO 0.00 0.11 0.29 1.07 0.21 0.00 0.00 175.17 176.85 1dw1 n THR 3 N 3.38 0.00 -3.95 -1.27 5.66 -0.49 -4.92 114.28 112.68 1dw1 n THR 3 Ca -0.11 -0.83 -0.09 0.00 -3.05 0.00 0.00 64.05 59.96 1dw1 n THR 3 Cb 0.52 0.56 -0.08 0.00 -1.55 0.00 0.00 70.33 69.78 1dw1 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw1 s SER 4 N -2.12 0.13 0.20 1.09 1.04 -1.25 -4.40 113.70 108.39 1dw1 s SER 4 Ca 0.14 -0.84 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 1dw1 s SER 4 Cb -0.01 0.37 0.25 0.00 0.10 0.00 0.00 66.02 66.73 1dw1 s SER 4 CO 0.10 -0.80 1.69 -0.65 0.98 0.00 0.00 173.24 174.56 1dw1 h PRO 5 N 2.69 0.18 -0.50 4.02 0.11 -1.78 -1.45 132.00 135.27 1dw1 h PRO 5 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1dw1 h PRO 5 Cb 1.21 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1dw1 h PRO 5 CO 0.53 0.12 0.31 0.00 -0.21 0.00 0.00 178.00 178.75 1dw1 h ALA 6 N 1.47 1.61 -0.19 -0.75 0.00 -1.97 -1.39 119.26 118.06 1dw1 h ALA 6 Ca 0.29 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1dw1 h ALA 6 Cb 0.44 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dw1 h ALA 6 CO -0.42 0.35 -0.49 1.96 0.00 0.00 0.00 179.25 180.64 1dw1 h GLN 7 N 0.68 0.66 -0.40 0.00 4.20 -1.75 -2.29 115.11 116.22 1dw1 h GLN 7 Ca 0.18 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1dw1 h GLN 7 Cb -0.05 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1dw1 h GLN 7 CO -0.04 1.09 0.26 -0.07 -0.67 0.00 0.00 178.83 179.40 1dw1 h LEU 8 N 0.35 0.46 -0.29 1.46 4.07 -1.01 -1.85 115.31 118.51 1dw1 h LEU 8 Ca -0.01 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1dw1 h LEU 8 Cb 1.11 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1dw1 h LEU 8 CO 0.11 0.34 0.17 0.40 -1.08 0.00 0.00 178.44 178.38 1dw1 h ILE 9 N 0.54 1.11 -0.87 1.22 2.04 -1.25 -1.77 117.51 118.52 1dw1 h ILE 9 Ca 0.15 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1dw1 h ILE 9 Cb -0.05 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 1dw1 h ILE 9 CO -0.03 0.11 0.54 0.00 0.00 0.00 0.00 178.15 178.77 1dw1 h ALA 10 N 1.06 1.19 -0.43 1.87 0.00 -1.22 0.20 119.26 121.93 1dw1 h ALA 10 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1dw1 h ALA 10 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1dw1 h ALA 10 CO -0.02 0.30 0.09 0.78 0.00 0.00 0.00 179.25 180.40 1dw1 h GLY 11 N 1.00 0.76 1.10 0.00 0.00 -1.03 -1.85 103.07 103.06 1dw1 h GLY 11 Ca 0.38 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1dw1 h GLY 11 CO -0.17 0.45 -0.03 -0.97 0.00 0.00 0.00 176.54 175.83 1dw1 h TYR 12 N 0.57 1.17 -0.77 5.60 0.99 -0.85 -2.44 116.97 121.23 1dw1 h TYR 12 Ca 0.13 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.66 1dw1 h TYR 12 Cb 0.34 -0.30 -0.04 0.00 1.00 0.00 0.00 36.73 37.74 1dw1 h TYR 12 CO 0.02 1.04 0.50 0.93 -0.00 0.00 0.00 178.16 180.65 1dw1 h GLU 13 N 0.96 1.03 -0.73 4.88 5.08 -0.88 0.11 114.58 125.03 1dw1 h GLU 13 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1dw1 h GLU 13 Cb 0.59 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1dw1 h GLU 13 CO 0.04 0.69 0.46 0.00 -1.00 0.00 0.00 179.01 179.20 1dw1 h ALA 14 N 1.27 0.92 -0.10 3.43 0.00 -1.14 0.12 119.26 123.76 1dw1 h ALA 14 Ca 0.28 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1dw1 h ALA 14 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1dw1 h ALA 14 CO -0.06 0.36 -0.62 0.00 0.00 0.00 0.00 179.25 178.94 1dw1 h ALA 15 N 1.25 0.75 0.00 0.00 0.00 -0.97 -2.96 119.26 117.33 1dw1 h ALA 15 Ca 0.26 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1dw1 h ALA 15 Cb -0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1dw1 h ALA 15 CO -0.05 0.72 -0.17 0.00 0.00 0.00 0.00 179.25 179.75 1dw1 h ALA 16 N 1.07 0.91 -0.13 0.00 0.00 -0.42 -3.47 119.26 117.23 1dw1 h ALA 16 Ca -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1dw1 h ALA 16 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1dw1 h ALA 16 CO 0.10 0.22 -0.05 0.41 0.00 0.00 0.00 179.25 179.93 1dw1 n GLY 17 N 0.87 0.59 3.52 0.00 0.00 0.40 -4.86 105.19 105.71 1dw1 n GLY 17 Ca 0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.09 -1.78 0.69 4.61 0.00 -1.11 -5.06 121.76 117.03 1dw1 s ALA 18 Ca 0.00 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 1dw1 s ALA 18 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1dw1 s ALA 18 CO 0.00 -0.39 1.24 -2.14 0.00 0.00 0.00 175.76 174.47 1dw1 s PRO 19 N -1.37 2.32 0.48 0.00 0.02 -1.26 -4.53 135.00 130.66 1dw1 s PRO 19 Ca -0.09 1.89 -0.22 0.00 0.02 0.00 0.00 61.00 62.60 1dw1 s PRO 19 Cb -0.00 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1dw1 s PRO 19 CO 0.07 -1.73 1.12 0.00 -0.33 0.00 0.00 177.00 176.14 1dw1 s ALA 20 N -1.73 2.89 -0.31 -1.55 0.00 -1.26 -4.97 121.76 114.83 1dw1 s ALA 20 Ca 0.78 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1dw1 s ALA 20 Cb -0.33 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.54 1dw1 s ALA 20 CO 0.42 -0.58 0.02 0.34 0.00 0.00 0.00 175.76 175.96 1dw1 s ASP 21 N -1.61 4.49 0.47 0.00 -1.08 -1.26 -4.97 116.67 112.73 1dw1 s ASP 21 Ca 0.66 -1.85 0.17 0.00 -0.52 0.00 0.00 52.55 51.01 1dw1 s ASP 21 Cb -0.24 -1.44 1.13 0.00 -1.46 0.00 0.00 42.92 40.90 1dw1 s ASP 21 CO 0.29 -0.34 2.04 0.00 0.52 0.00 0.00 175.17 177.68 1dw1 h ALA 22 N 7.75 1.71 -0.54 3.66 0.00 -1.90 -1.33 119.26 128.61 1dw1 h ALA 22 Ca -0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1dw1 h ALA 22 Cb 1.03 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1dw1 h ALA 22 CO 0.49 0.17 -0.01 0.93 0.00 0.00 0.00 179.25 180.83 1dw1 h GLU 23 N 0.00 0.93 -0.04 0.00 4.39 -1.94 0.16 114.58 118.08 1dw1 h GLU 23 Ca -0.00 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1dw1 h GLU 23 Cb 0.25 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1dw1 h GLU 23 CO 0.02 0.93 -0.53 0.00 -1.16 0.00 0.00 179.01 178.26 1dw1 h ARG 24 N 0.86 0.11 -0.26 2.33 3.08 -1.75 -1.71 114.38 117.04 1dw1 h ARG 24 Ca 0.16 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 1dw1 h ARG 24 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1dw1 h ARG 24 CO 0.03 0.62 -0.16 0.78 -1.07 0.00 0.00 179.97 180.16 1dw1 h GLY 25 N 1.50 0.62 0.70 0.04 0.00 -0.49 -1.67 103.07 103.78 1dw1 h GLY 25 Ca -0.00 -0.58 0.05 0.00 0.00 0.00 0.00 47.33 46.80 1dw1 h GLY 25 CO 0.08 0.53 0.30 -0.09 0.00 0.00 0.00 176.54 177.35 1dw1 h ARG 26 N 0.30 0.55 -0.47 4.80 2.43 -0.52 -0.80 114.38 120.67 1dw1 h ARG 26 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1dw1 h ARG 26 Cb 0.68 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1dw1 h ARG 26 CO 0.04 0.36 -0.05 0.00 -1.51 0.00 0.00 179.97 178.82 1dw1 h ALA 27 N 1.30 1.04 -0.23 2.80 0.00 -1.16 -1.61 119.26 121.40 1dw1 h ALA 27 Ca 0.25 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1dw1 h ALA 27 Cb 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dw1 h ALA 27 CO -0.17 0.59 -0.40 1.25 0.00 0.00 0.00 179.25 180.52 1dw1 h LEU 28 N 0.74 0.75 -0.51 0.00 5.85 -0.95 -2.38 115.31 118.81 1dw1 h LEU 28 Ca 0.14 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1dw1 h LEU 28 Cb 0.52 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1dw1 h LEU 28 CO 0.03 1.14 0.27 0.15 -0.34 0.00 0.00 178.44 179.69 1dw1 h PHE 29 N 0.39 0.50 -0.00 1.25 3.57 -0.81 -2.39 116.94 119.46 1dw1 h PHE 29 Ca 0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1dw1 h PHE 29 Cb 0.99 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1dw1 h PHE 29 CO 0.08 0.26 -0.04 1.28 -2.23 0.00 0.00 178.31 177.66 1dw1 n LEU 30 N -4.86 0.06 -4.75 0.59 4.77 -0.64 -3.50 117.00 108.67 1dw1 n LEU 30 Ca 0.04 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.09 1dw1 n LEU 30 Cb 0.12 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1dw1 n LEU 30 CO 0.30 0.01 0.73 -0.94 -1.33 0.00 0.00 177.39 176.17 1dw1 s SER 31 N -2.88 4.63 -0.24 -1.43 1.04 -0.90 -4.93 113.70 108.99 1dw1 s SER 31 Ca 0.18 2.03 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 1dw1 s SER 31 Cb 0.19 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 1dw1 s SER 31 CO 0.53 -1.96 0.13 -0.89 0.98 0.00 0.00 173.24 172.02 1dw1 s THR 32 N -2.45 5.01 0.10 2.02 2.01 -1.26 -4.38 115.64 116.69 1dw1 s THR 32 Ca 0.67 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.79 1dw1 s THR 32 Cb -0.21 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1dw1 s THR 32 CO 0.47 0.35 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.60 1dw1 s GLN 33 N 1.17 2.32 0.00 4.92 -1.52 0.11 -5.03 119.66 121.63 1dw1 s GLN 33 Ca 0.06 -0.94 0.10 0.00 -1.95 0.00 0.00 55.36 52.63 1dw1 s GLN 33 Cb -0.14 -2.41 -0.09 0.00 -0.22 0.00 0.00 33.01 30.15 1dw1 s GLN 33 CO 0.05 0.52 0.45 0.25 -0.25 0.00 0.00 175.29 176.31 1dw1 n THR 34 N 0.63 0.00 1.39 -0.19 -2.24 -1.26 -4.69 114.28 107.93 1dw1 n THR 34 Ca -0.12 -0.29 0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1dw1 n THR 34 Cb 0.52 1.02 0.59 0.00 -2.10 0.00 0.00 70.33 70.36 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 1.18 -0.92 0.00 3.38 0.00 -1.26 -4.93 105.19 102.65 1dw1 n GLY 35 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 1.28 3.29 3.77 -0.02 0.00 -1.21 -4.00 105.19 108.31 1dw1 n GLY 36 Ca 0.14 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 4.63 4.31 0.38 1.61 3.01 0.62 -4.91 119.74 129.39 1dw1 s LYS 37 Ca 0.00 2.18 0.10 0.00 -1.01 0.00 0.00 55.97 57.24 1dw1 s LYS 37 Cb 0.00 -3.02 0.76 0.00 -1.01 0.00 0.00 37.83 34.56 1dw1 s LYS 37 CO 0.00 -0.22 1.88 -1.00 0.51 0.00 0.00 175.35 176.52 1dw1 h PRO 38 N 3.28 0.16 -0.16 -1.68 0.13 -1.93 -2.84 132.00 128.95 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 1.23 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1dw1 h PRO 38 CO 0.65 0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 178.40 1dw1 n ASP 39 N -4.21 1.10 -3.37 1.44 3.85 -1.26 -4.18 116.55 109.91 1dw1 n ASP 39 Ca -0.01 -1.81 -0.26 0.00 -0.71 0.00 0.00 54.79 52.00 1dw1 n ASP 39 Cb 0.32 -0.11 -0.09 0.00 -1.35 0.00 0.00 41.12 39.89 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 0.02 -0.43 1.10 2.12 -2.24 -1.07 -4.97 114.28 108.81 1dw1 n THR 40 Ca 0.11 -3.94 0.12 0.00 -2.27 0.00 0.00 64.05 58.07 1dw1 n THR 40 Cb 0.20 -1.86 0.61 0.00 -2.10 0.00 0.00 70.33 67.18 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 2.04 0.25 -3.62 -0.78 -0.04 -1.26 -4.22 135.00 127.38 1dw1 n PRO 41 Ca 0.26 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1dw1 n PRO 41 Cb 0.48 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.70 -0.34 0.46 3.54 0.15 -1.26 0.07 113.70 113.62 1dw1 s SER 42 Ca 0.20 -0.30 0.22 0.00 0.70 0.00 0.00 55.95 56.77 1dw1 s SER 42 Cb 0.17 0.56 1.14 0.00 -1.71 0.00 0.00 66.02 66.17 1dw1 s SER 42 CO 0.41 -0.98 1.96 0.00 1.20 0.00 0.00 173.24 175.83 1dw1 h THR 44 N 0.00 0.00 -0.77 0.00 1.35 -1.78 -2.54 112.91 109.16 1dw1 h THR 44 Ca -0.00 -0.35 0.16 0.00 -0.55 0.00 0.00 66.41 65.66 1dw1 h THR 44 Cb 0.48 1.19 -0.10 0.00 -1.73 0.00 0.00 68.15 67.99 1dw1 h THR 44 CO 0.03 0.00 0.29 0.74 -0.25 0.00 0.00 175.52 176.33 1dw1 h THR 45 N 0.00 0.60 0.00 6.82 2.02 -1.60 -0.90 112.91 119.85 1dw1 h THR 45 Ca 0.00 -0.14 -0.31 0.00 0.77 0.00 0.00 66.41 66.73 1dw1 h THR 45 Cb 0.43 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1dw1 h THR 45 CO 0.00 0.07 -2.20 0.00 0.37 0.00 0.00 175.52 173.76 1dw1 n HIS 47 N -2.64 0.05 0.00 0.00 8.25 -0.97 -0.65 115.22 119.26 1dw1 n HIS 47 Ca -0.28 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1dw1 n HIS 47 Cb 1.06 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.99 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 1.47 -1.58 0.09 -1.41 0.00 -0.35 -4.27 105.19 99.15 1dw1 n GLY 48 Ca 0.04 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.67 -2.13 4.61 0.00 -1.95 -3.41 119.26 117.04 1dw1 h ALA 49 Ca 0.00 -1.01 -0.72 0.00 0.00 0.00 0.00 54.91 53.18 1dw1 h ALA 49 Cb 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 17.79 17.85 1dw1 h ALA 49 CO 0.00 1.13 -0.12 0.34 0.00 0.00 0.00 179.25 180.60 1dw1 s ASP 50 N -6.04 6.18 0.00 0.00 3.68 -1.26 -4.95 116.67 114.28 1dw1 s ASP 50 Ca -0.02 -1.31 0.14 0.00 2.13 0.00 0.00 52.55 53.49 1dw1 s ASP 50 Cb 0.08 -2.24 0.86 0.00 -1.45 0.00 0.00 42.92 40.18 1dw1 s ASP 50 CO 0.81 -0.84 1.52 1.33 0.13 0.00 0.00 175.17 178.12 1dw1 n VAL 51 N 5.39 0.00 1.32 1.11 0.24 -1.26 -2.11 118.33 123.02 1dw1 n VAL 51 Ca -0.10 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.33 1dw1 n VAL 51 Cb 0.43 -0.26 0.49 0.00 -1.47 0.00 0.00 33.84 33.03 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 -0.74 0.00 -4.22 3.34 -2.24 -1.26 -1.72 114.28 107.45 1dw1 n THR 52 Ca 0.11 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 1dw1 n THR 52 Cb 0.05 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.48 2.55 0.59 -0.78 0.52 -0.90 -4.86 118.95 113.60 1dw1 s ARG 53 Ca 0.27 -1.26 -0.18 0.00 -0.52 0.00 0.00 55.73 54.04 1dw1 s ARG 53 Cb 0.20 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 33.30 1dw1 s ARG 53 CO 0.50 0.38 1.17 0.00 0.02 0.00 0.00 175.30 177.37 1dw1 s ALA 54 N -2.22 2.55 0.00 2.13 0.00 -1.26 -4.22 121.76 118.75 1dw1 s ALA 54 Ca 0.32 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1dw1 s ALA 54 Cb -0.07 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1dw1 s ALA 54 CO 0.22 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1dw1 n GLY 55 N 0.27 1.95 3.44 0.00 0.00 0.20 -4.84 105.19 106.21 1dw1 n GLY 55 Ca 0.13 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 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 0.05 0.81 0.99 1.61 0.00 0.17 -2.22 119.66 121.06 1dw1 s GLN 56 Ca 0.00 0.39 -0.17 0.00 -0.00 0.00 0.00 55.36 55.58 1dw1 s GLN 56 Cb 0.00 0.38 0.23 0.00 0.00 0.00 0.00 33.01 33.62 1dw1 s GLN 56 CO 0.00 -0.19 1.29 0.25 0.00 0.00 0.00 175.29 176.64 1dw1 n THR 57 N 1.76 0.00 0.28 3.63 -2.24 0.07 -4.38 114.28 113.40 1dw1 n THR 57 Ca -0.17 -0.92 0.17 0.00 -2.27 0.00 0.00 64.05 60.86 1dw1 n THR 57 Cb 0.56 -1.49 0.77 0.00 -2.10 0.00 0.00 70.33 68.08 1dw1 n THR 57 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1dw1 h ARG 58 N 0.00 0.00 -0.14 -0.78 -0.00 -1.94 -0.80 114.38 110.72 1dw1 h ARG 58 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.56 1dw1 h ARG 58 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 1dw1 h ARG 58 CO 0.30 0.04 0.00 0.25 -0.00 0.00 0.00 179.97 180.55 1dw1 n THR 59 N -3.18 0.16 -0.26 0.08 -2.24 -1.26 -4.92 114.28 102.66 1dw1 n THR 59 Ca -0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1dw1 n THR 59 Cb 0.26 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1dw1 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw1 n GLY 60 N 1.26 0.71 3.83 3.38 0.00 -0.31 -5.05 105.19 109.01 1dw1 n GLY 60 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.74 3.70 -0.57 1.61 3.01 -1.26 -4.73 119.74 120.77 1dw1 s LYS 61 Ca 0.00 1.02 -0.30 0.00 -1.01 0.00 0.00 55.97 55.68 1dw1 s LYS 61 Cb 0.00 -2.10 -0.16 0.00 -1.01 0.00 0.00 37.83 34.57 1dw1 s LYS 61 CO 0.00 -0.48 1.87 -1.91 0.51 0.00 0.00 175.35 175.33 1dw1 n GLU 62 N -1.85 0.00 -4.01 1.68 4.07 -1.26 -0.75 120.64 118.52 1dw1 n GLU 62 Ca 0.07 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.87 1dw1 n GLU 62 Cb 0.54 -1.17 -0.16 0.00 -0.06 0.00 0.00 31.44 30.59 1dw1 n GLU 62 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1dw1 s ILE 63 N 5.74 1.69 0.72 6.31 1.01 -0.94 -4.83 121.20 130.90 1dw1 s ILE 63 Ca 0.99 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 60.49 1dw1 s ILE 63 Cb -1.09 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 39.68 1dw1 s ILE 63 CO 0.46 0.22 1.22 0.00 0.00 0.00 0.00 174.94 176.83 1dw1 n ALA 64 N 4.68 0.50 -1.57 9.38 0.00 -1.26 -0.63 120.51 131.61 1dw1 n ALA 64 Ca -0.15 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 1dw1 n ALA 64 Cb 0.47 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.66 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 -2.46 1.11 0.15 0.00 -0.02 -1.26 -4.51 135.00 128.01 1dw1 n PRO 65 Ca 0.15 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1dw1 n PRO 65 Cb 0.49 -1.91 0.05 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.27 0.00 -9.61 2.45 3.38 -1.65 -3.41 115.31 107.75 1dw1 h LEU 66 Ca -0.44 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 1dw1 h LEU 66 Cb 1.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.14 1dw1 h LEU 66 CO 0.55 0.47 0.74 0.00 0.09 0.00 0.00 178.44 180.29 1dw1 s ALA 67 N -3.01 3.61 0.46 1.53 0.00 -0.70 -4.89 121.76 118.76 1dw1 s ALA 67 Ca 0.04 1.18 0.29 0.00 0.00 0.00 0.00 51.96 53.47 1dw1 s ALA 67 Cb 0.08 -3.54 1.57 0.00 0.00 0.00 0.00 23.12 21.23 1dw1 s ALA 67 CO 0.74 -0.64 2.13 -1.35 0.00 0.00 0.00 175.76 176.63 1dw1 h PRO 68 N 6.31 0.00 0.00 0.00 0.11 -1.76 -0.07 132.00 136.59 1dw1 h PRO 68 Ca -0.43 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.64 1dw1 h PRO 68 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1dw1 h PRO 68 CO 0.84 0.08 -0.18 0.66 -0.21 0.00 0.00 178.00 179.20 1dw1 h SER 69 N 0.00 0.00 0.14 -2.05 4.64 -1.90 -3.02 113.55 111.37 1dw1 h SER 69 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1dw1 h SER 69 Cb 0.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 1dw1 h SER 69 CO 0.01 0.18 -2.19 0.00 -0.87 0.00 0.00 176.83 173.96 1dw1 n ALA 70 N -2.37 1.45 -3.64 5.18 0.00 -0.39 -4.80 120.51 115.94 1dw1 n ALA 70 Ca -0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 53.44 52.03 1dw1 n ALA 70 Cb 0.27 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 1dw1 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw1 s THR 71 N -2.53 0.90 0.61 0.00 2.01 -0.18 -4.96 115.64 111.48 1dw1 s THR 71 Ca -0.13 -2.06 0.39 0.00 0.31 0.00 0.00 61.69 60.20 1dw1 s THR 71 Cb 0.07 -1.64 0.41 0.00 0.01 0.00 0.00 72.50 71.35 1dw1 s THR 71 CO 0.79 -0.88 2.31 -0.65 -0.69 0.00 0.00 174.62 175.50 1dw1 h PRO 72 N 7.09 0.00 -0.59 4.92 0.11 -1.80 -1.82 132.00 139.90 1dw1 h PRO 72 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1dw1 h PRO 72 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1dw1 h PRO 72 CO 0.41 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.81 1dw1 n ASP 73 N -3.35 3.37 -4.75 -2.05 5.75 -1.26 -4.94 116.55 109.31 1dw1 n ASP 73 Ca -0.03 -2.26 -0.38 0.00 -0.01 0.00 0.00 54.79 52.11 1dw1 n ASP 73 Cb 0.09 -0.46 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1dw1 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dw1 s ARG 74 N -1.67 3.18 -1.41 0.11 1.81 -0.68 -3.26 118.95 117.03 1dw1 s ARG 74 Ca 0.36 2.21 -0.10 0.00 -1.72 0.00 0.00 55.73 56.48 1dw1 s ARG 74 Cb 0.22 -2.27 0.03 0.00 -0.45 0.00 0.00 34.95 32.49 1dw1 s ARG 74 CO 0.19 -1.15 1.09 1.19 -0.68 0.00 0.00 175.30 175.93 1dw1 n PHE 75 N -1.00 -2.61 0.12 -0.53 3.72 -1.26 -4.63 117.46 111.27 1dw1 n PHE 75 Ca 0.10 0.97 0.02 0.00 -0.05 0.00 0.00 57.45 58.49 1dw1 n PHE 75 Cb 0.45 -4.66 0.03 0.00 -0.94 0.00 0.00 39.48 34.37 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 -4.82 0.29 -3.81 4.37 -2.24 -1.20 -2.75 114.28 104.12 1dw1 n THR 76 Ca -0.01 -0.64 -0.28 0.00 -2.27 0.00 0.00 64.05 60.85 1dw1 n THR 76 Cb 0.56 0.93 -0.16 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.58 2.96 0.22 3.42 -1.08 -1.26 -1.40 116.67 118.96 1dw1 s ASP 77 Ca 0.07 -0.79 -0.07 0.00 -0.52 0.00 0.00 52.55 51.24 1dw1 s ASP 77 Cb 0.04 -0.76 0.19 0.00 -1.46 0.00 0.00 42.92 40.93 1dw1 s ASP 77 CO 0.06 -0.26 1.82 0.77 0.52 0.00 0.00 175.17 178.09 1dw1 h SER 78 N 8.17 1.12 -0.39 -0.34 4.64 -1.85 -2.05 113.55 122.85 1dw1 h SER 78 Ca -0.18 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1dw1 h SER 78 Cb 1.11 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1dw1 h SER 78 CO 0.36 0.94 0.12 0.00 -0.87 0.00 0.00 176.83 177.38 1dw1 h ALA 79 N 1.23 0.51 -0.15 5.18 0.00 -1.96 -2.34 119.26 121.73 1dw1 h ALA 79 Ca 0.30 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1dw1 h ALA 79 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1dw1 h ALA 79 CO -0.04 0.15 -0.01 -0.09 0.00 0.00 0.00 179.25 179.27 1dw1 h ARG 80 N 0.48 0.04 -0.44 0.00 2.43 -1.86 -0.03 114.38 115.00 1dw1 h ARG 80 Ca 0.13 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1dw1 h ARG 80 Cb 0.25 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1dw1 h ARG 80 CO -0.00 0.03 0.26 0.28 -1.51 0.00 0.00 179.97 179.03 1dw1 h VAL 81 N 0.04 1.05 -0.39 0.20 2.07 -1.27 -2.07 116.25 115.87 1dw1 h VAL 81 Ca 0.07 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1dw1 h VAL 81 Cb 0.09 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1dw1 h VAL 81 CO -0.13 0.10 -0.18 -0.33 0.02 0.00 0.00 177.57 177.05 1dw1 h GLU 82 N 0.53 0.74 0.32 1.57 4.39 -1.19 -1.30 114.58 119.64 1dw1 h GLU 82 Ca 0.18 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1dw1 h GLU 82 Cb 0.01 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1dw1 h GLU 82 CO -0.08 0.87 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.26 1dw1 h LYS 83 N 0.66 -0.42 0.20 2.33 3.64 -0.81 0.26 116.57 122.43 1dw1 h LYS 83 Ca 0.10 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1dw1 h LYS 83 Cb 0.66 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1dw1 h LYS 83 CO 0.05 -0.28 -0.09 -1.49 -2.27 0.00 0.00 179.45 175.36 1dw1 h TRP 84 N -0.43 -0.24 -0.28 1.91 4.06 -1.32 -2.16 115.95 117.48 1dw1 h TRP 84 Ca -0.04 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1dw1 h TRP 84 Cb 0.33 0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1dw1 h TRP 84 CO -0.06 0.05 0.13 -0.07 -3.56 0.00 0.00 178.44 174.93 1dw1 h LEU 85 N -0.53 0.34 -0.73 -4.49 3.38 -1.27 0.75 115.31 112.76 1dw1 h LEU 85 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dw1 h LEU 85 Cb 0.40 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1dw1 h LEU 85 CO 0.04 0.30 0.47 1.23 0.09 0.00 0.00 178.44 180.58 1dw1 h GLY 86 N 0.50 1.04 0.41 0.83 0.00 -0.28 -0.80 103.07 104.78 1dw1 h GLY 86 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1dw1 h GLY 86 CO -0.01 0.39 -0.08 3.21 0.00 0.00 0.00 176.54 180.05 1dw1 h ARG 87 N 1.00 -0.21 0.00 4.80 3.08 -0.51 -3.32 114.38 119.22 1dw1 h ARG 87 Ca 0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1dw1 h ARG 87 Cb -0.09 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1dw1 h ARG 87 CO -0.06 0.22 -0.43 -0.91 -1.07 0.00 0.00 179.97 177.72 1dw1 h ASN 88 N -0.81 0.00 -0.49 7.04 2.35 -0.91 -2.43 115.58 120.34 1dw1 h ASN 88 Ca -0.02 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 1dw1 h ASN 88 Cb 0.53 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1dw1 h ASN 88 CO 0.04 0.06 0.06 0.00 -1.65 0.00 0.00 177.43 175.94 1dw1 h ASN 90 N 0.68 0.47 -0.66 0.00 4.21 -1.43 0.23 115.58 119.08 1dw1 h ASN 90 Ca 0.15 -0.12 -0.06 0.00 1.21 0.00 0.00 56.30 57.48 1dw1 h ASN 90 Cb 0.42 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.47 1dw1 h ASN 90 CO 0.01 0.45 0.19 -1.28 -1.29 0.00 0.00 177.43 175.51 1dw1 h SER 91 N 0.45 0.99 0.00 5.81 0.87 -1.33 0.20 113.55 120.54 1dw1 h SER 91 Ca 0.12 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 1dw1 h SER 91 Cb 0.10 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1dw1 h SER 91 CO -0.02 0.94 -0.57 0.58 -0.53 0.00 0.00 176.83 177.23 1dw1 h VAL 92 N 1.01 0.78 0.00 2.23 2.07 -0.92 0.18 116.25 121.60 1dw1 h VAL 92 Ca 0.22 -1.76 -0.14 0.00 0.82 0.00 0.00 66.70 65.83 1dw1 h VAL 92 Cb 0.32 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1dw1 h VAL 92 CO -0.00 0.26 -1.35 -0.38 0.02 0.00 0.00 177.57 176.12 1dw1 n ILE 93 N -4.58 1.11 -0.22 4.57 5.41 0.76 -3.29 119.36 123.14 1dw1 n ILE 93 Ca -0.16 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.92 1dw1 n ILE 93 Cb 0.43 -0.69 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 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 1.36 0.89 3.74 7.39 0.00 0.69 -3.99 105.19 115.27 1dw1 n GLY 94 Ca -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.77 1.27 0.58 1.61 1.70 -1.25 -4.90 118.95 117.19 1dw1 s ARG 95 Ca 0.00 -0.68 -0.20 0.00 -0.47 0.00 0.00 55.73 54.39 1dw1 s ARG 95 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1dw1 s ARG 95 CO 0.00 -0.58 1.24 -0.51 -1.08 0.00 0.00 175.30 174.37 1dw1 s ASP 96 N -2.89 5.22 0.44 -2.89 1.01 -1.26 -2.83 116.67 113.47 1dw1 s ASP 96 Ca 0.11 2.48 -0.23 0.00 0.71 0.00 0.00 52.55 55.63 1dw1 s ASP 96 Cb -0.02 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1dw1 s ASP 96 CO 0.01 -1.58 1.07 0.00 0.21 0.00 0.00 175.17 174.89 1dw1 s THR 98 N -1.72 2.62 0.23 0.00 -4.23 -1.26 -4.86 115.64 106.42 1dw1 s THR 98 Ca 0.62 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 61.26 1dw1 s THR 98 Cb -0.22 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 70.76 1dw1 s THR 98 CO 0.27 -0.26 1.87 -0.65 -0.54 0.00 0.00 174.62 175.31 1dw1 h PRO 99 N -1.10 1.01 -0.62 3.99 0.11 -1.93 -0.79 132.00 132.67 1dw1 h PRO 99 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1dw1 h PRO 99 Cb 1.30 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1dw1 h PRO 99 CO 0.62 0.67 0.36 0.78 -0.21 0.00 0.00 178.00 180.23 1dw1 h GLY 100 N 1.05 0.91 1.01 -0.55 0.00 -1.89 -0.57 103.07 103.02 1dw1 h GLY 100 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1dw1 h GLY 100 CO -0.12 0.38 0.29 0.83 0.00 0.00 0.00 176.54 177.91 1dw1 h GLU 101 N 0.84 0.96 -0.68 4.80 5.08 -1.72 -0.15 114.58 123.71 1dw1 h GLU 101 Ca 0.22 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1dw1 h GLU 101 Cb 0.00 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1dw1 h GLU 101 CO -0.04 0.79 0.13 0.87 -1.00 0.00 0.00 179.01 179.76 1dw1 h LYS 102 N 0.91 1.11 0.05 2.33 1.57 -0.90 0.86 116.57 122.50 1dw1 h LYS 102 Ca 0.22 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dw1 h LYS 102 Cb 0.17 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1dw1 h LYS 102 CO -0.02 1.00 -0.03 0.00 -0.57 0.00 0.00 179.45 179.83 1dw1 h ALA 103 N 1.09 -0.07 -0.31 3.86 0.00 -0.90 -1.34 119.26 121.58 1dw1 h ALA 103 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1dw1 h ALA 103 Cb 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1dw1 h ALA 103 CO 0.01 -0.50 0.20 -0.44 0.00 0.00 0.00 179.25 178.52 1dw1 h ASP 104 N -0.15 0.37 -0.13 0.00 3.45 -0.82 -0.87 116.42 118.27 1dw1 h ASP 104 Ca -0.01 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.42 1dw1 h ASP 104 Cb 0.13 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 38.80 1dw1 h ASP 104 CO 0.01 0.29 0.07 -0.07 -1.57 0.00 0.00 179.24 177.97 1dw1 h LEU 105 N 0.42 0.17 -0.88 1.55 3.38 -0.76 -2.44 115.31 116.74 1dw1 h LEU 105 Ca 0.11 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1dw1 h LEU 105 Cb -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1dw1 h LEU 105 CO -0.02 0.22 -0.43 -0.07 0.09 0.00 0.00 178.44 178.23 1dw1 h LEU 106 N 0.11 0.30 -0.41 1.67 3.38 -1.16 -0.92 115.31 118.26 1dw1 h LEU 106 Ca 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1dw1 h LEU 106 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1dw1 h LEU 106 CO -0.01 0.69 0.24 0.00 0.09 0.00 0.00 178.44 179.46 1dw1 h ALA 107 N 1.32 0.53 0.34 1.53 0.00 -1.04 0.30 119.26 122.24 1dw1 h ALA 107 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dw1 h ALA 107 Cb 0.85 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1dw1 h ALA 107 CO 0.07 0.03 -0.16 2.35 0.00 0.00 0.00 179.25 181.54 1dw1 h TRP 108 N 0.54 -0.42 -0.91 0.00 7.01 -1.15 -3.22 115.95 117.80 1dw1 h TRP 108 Ca 0.15 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.18 1dw1 h TRP 108 Cb 0.02 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.16 1dw1 h TRP 108 CO -0.03 -0.10 0.59 -0.07 -2.79 0.00 0.00 178.44 176.03 1dw1 h LEU 109 N -0.74 0.97 -0.53 0.65 3.38 -1.06 -2.66 115.31 115.30 1dw1 h LEU 109 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dw1 h LEU 109 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1dw1 h LEU 109 CO 0.08 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.26 1dw1 n ALA 110 N -2.35 1.71 1.27 1.53 0.00 0.10 -1.93 120.51 120.84 1dw1 n ALA 110 Ca 0.12 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1dw1 n ALA 110 Cb 0.11 -1.37 0.34 0.00 0.00 0.00 0.00 19.45 18.53 1dw1 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dw1 n ALA 111 N -1.73 2.82 1.54 0.00 0.00 -1.01 -4.72 120.51 117.43 1dw1 n ALA 111 Ca 0.03 -0.50 0.14 0.00 0.00 0.00 0.00 53.44 53.11 1dw1 n ALA 111 Cb 0.23 -1.05 0.56 0.00 0.00 0.00 0.00 19.45 19.20 1dw1 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54