#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 2.25 -3.38 1.61 3.85 -0.38 -5.01 116.55 115.49 1dw3 n ASP 2 Ca 0.00 -1.62 -0.13 0.00 -0.71 0.00 0.00 54.79 52.33 1dw3 n ASP 2 Cb 0.00 0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 39.85 1dw3 n ASP 2 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 1dw3 s THR 3 N -1.55 0.00 0.31 2.12 -1.32 -0.62 -4.90 115.64 109.68 1dw3 s THR 3 Ca 0.19 -1.48 0.09 0.00 -1.21 0.00 0.00 61.69 59.28 1dw3 s THR 3 Cb 0.14 -2.58 -0.05 0.00 -1.51 0.00 0.00 72.50 68.50 1dw3 s THR 3 CO 0.26 0.00 0.01 -0.94 -2.21 0.00 0.00 174.62 171.75 1dw3 s SER 4 N -3.17 4.36 0.26 8.08 1.04 -1.26 -4.47 113.70 118.54 1dw3 s SER 4 Ca 0.27 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.84 1dw3 s SER 4 Cb -0.01 -0.66 0.39 0.00 0.10 0.00 0.00 66.02 65.84 1dw3 s SER 4 CO 0.16 -0.14 1.88 -0.65 0.98 0.00 0.00 173.24 175.47 1dw3 h PRO 5 N 1.82 1.14 -0.53 4.02 0.11 -1.87 -2.10 132.00 134.59 1dw3 h PRO 5 Ca -0.43 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1dw3 h PRO 5 Cb 1.25 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1dw3 h PRO 5 CO 0.63 0.75 0.19 0.00 -0.21 0.00 0.00 178.00 179.36 1dw3 h ALA 6 N 1.45 0.69 -0.67 -0.75 0.00 -1.95 -0.70 119.26 117.33 1dw3 h ALA 6 Ca 0.43 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1dw3 h ALA 6 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1dw3 h ALA 6 CO -0.17 0.33 0.42 1.96 0.00 0.00 0.00 179.25 181.79 1dw3 h GLN 7 N 0.72 0.80 0.21 0.00 4.20 -1.86 0.12 115.11 119.31 1dw3 h GLN 7 Ca 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1dw3 h GLN 7 Cb 0.24 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1dw3 h GLN 7 CO -0.01 0.53 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.51 1dw3 h LEU 8 N 0.82 -0.24 -0.66 1.46 3.38 -1.16 -2.08 115.31 116.83 1dw3 h LEU 8 Ca 0.27 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1dw3 h LEU 8 Cb 0.01 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1dw3 h LEU 8 CO -0.10 -0.05 0.38 0.40 0.09 0.00 0.00 178.44 179.16 1dw3 h ILE 9 N -0.43 1.00 -0.59 1.22 2.04 -0.89 -1.83 117.51 118.02 1dw3 h ILE 9 Ca -0.03 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1dw3 h ILE 9 Cb 0.33 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1dw3 h ILE 9 CO 0.05 0.13 0.27 0.00 0.00 0.00 0.00 178.15 178.60 1dw3 h ALA 10 N 1.33 1.36 -0.45 1.87 0.00 -0.74 0.11 119.26 122.74 1dw3 h ALA 10 Ca 0.29 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1dw3 h ALA 10 Cb 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dw3 h ALA 10 CO -0.16 0.50 -0.12 0.78 0.00 0.00 0.00 179.25 180.24 1dw3 h GLY 11 N 0.94 0.95 1.04 0.00 0.00 -0.77 -1.69 103.07 103.55 1dw3 h GLY 11 Ca 0.21 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1dw3 h GLY 11 CO -0.02 0.73 0.25 -0.97 0.00 0.00 0.00 176.54 176.52 1dw3 h TYR 12 N 0.71 1.14 -0.75 5.60 0.99 -0.73 -2.20 116.97 121.72 1dw3 h TYR 12 Ca 0.11 -0.10 0.01 0.00 2.00 0.00 0.00 58.73 60.75 1dw3 h TYR 12 Cb 0.67 -0.33 -0.04 0.00 1.00 0.00 0.00 36.73 38.03 1dw3 h TYR 12 CO 0.05 0.89 0.50 0.93 -0.00 0.00 0.00 178.16 180.53 1dw3 h GLU 13 N 1.05 0.99 -0.76 4.88 5.08 -0.66 0.14 114.58 125.30 1dw3 h GLU 13 Ca 0.24 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1dw3 h GLU 13 Cb 0.27 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1dw3 h GLU 13 CO -0.01 0.66 0.41 0.00 -1.00 0.00 0.00 179.01 179.06 1dw3 h ALA 14 N 1.28 0.97 -0.19 3.43 0.00 -1.02 0.15 119.26 123.88 1dw3 h ALA 14 Ca 0.28 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1dw3 h ALA 14 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1dw3 h ALA 14 CO -0.06 0.50 -0.52 0.00 0.00 0.00 0.00 179.25 179.17 1dw3 h ALA 15 N 1.21 0.74 0.00 0.00 0.00 -0.77 -3.05 119.26 117.39 1dw3 h ALA 15 Ca 0.27 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1dw3 h ALA 15 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1dw3 h ALA 15 CO -0.04 0.68 -0.46 0.00 0.00 0.00 0.00 179.25 179.43 1dw3 h ALA 16 N 1.01 0.81 0.00 0.00 0.00 -0.35 -3.47 119.26 117.26 1dw3 h ALA 16 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dw3 h ALA 16 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1dw3 h ALA 16 CO 0.10 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1dw3 n GLY 17 N 0.74 0.46 3.48 0.00 0.00 0.48 -4.89 105.19 105.45 1dw3 n GLY 17 Ca 0.01 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 -1.70 0.63 4.61 0.00 -1.00 -5.04 121.76 117.26 1dw3 s ALA 18 Ca 0.00 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.75 1dw3 s ALA 18 Cb 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1dw3 s ALA 18 CO 0.00 -0.56 1.10 -2.14 0.00 0.00 0.00 175.76 174.17 1dw3 s PRO 19 N -2.38 2.99 0.64 0.00 0.02 -1.26 -4.48 135.00 130.53 1dw3 s PRO 19 Ca -0.05 1.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.18 1dw3 s PRO 19 Cb -0.00 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.53 1dw3 s PRO 19 CO -0.01 -1.10 1.18 0.00 -0.33 0.00 0.00 177.00 176.74 1dw3 s ALA 20 N -2.28 2.42 -0.30 -1.55 0.00 -1.26 -4.95 121.76 113.84 1dw3 s ALA 20 Ca 0.67 0.85 -0.00 0.00 0.00 0.00 0.00 51.96 53.48 1dw3 s ALA 20 Cb -0.20 -3.42 0.10 0.00 0.00 0.00 0.00 23.12 19.60 1dw3 s ALA 20 CO 0.38 -1.36 0.08 0.34 0.00 0.00 0.00 175.76 175.20 1dw3 s ASP 21 N -1.96 4.06 0.50 0.00 -1.08 -1.26 -4.96 116.67 111.97 1dw3 s ASP 21 Ca 0.74 -1.63 0.17 0.00 -0.52 0.00 0.00 52.55 51.31 1dw3 s ASP 21 Cb -0.27 -0.98 1.24 0.00 -1.46 0.00 0.00 42.92 41.45 1dw3 s ASP 21 CO 0.38 -0.39 2.08 0.00 0.52 0.00 0.00 175.17 177.76 1dw3 h ALA 22 N 8.02 2.10 -0.46 3.66 0.00 -1.89 -1.95 119.26 128.74 1dw3 h ALA 22 Ca -0.13 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1dw3 h ALA 22 Cb 1.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1dw3 h ALA 22 CO 0.47 -0.16 -0.15 1.05 0.00 0.00 0.00 179.25 180.46 1dw3 h GLU 23 N 0.10 0.92 -0.25 0.00 9.09 -1.94 0.59 114.58 123.08 1dw3 h GLU 23 Ca 0.11 -0.37 -0.07 0.00 0.05 0.00 0.00 59.36 59.08 1dw3 h GLU 23 Cb 0.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 1dw3 h GLU 23 CO -0.01 1.02 -0.17 0.00 0.05 0.00 0.00 179.01 179.90 1dw3 h ARG 24 N 0.76 0.43 -0.25 1.06 3.08 -1.75 -1.75 114.38 115.96 1dw3 h ARG 24 Ca 0.11 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1dw3 h ARG 24 Cb 0.70 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1dw3 h ARG 24 CO 0.05 0.59 0.02 0.78 -1.07 0.00 0.00 179.97 180.34 1dw3 h GLY 25 N 0.94 0.47 0.86 0.04 0.00 -0.70 -1.62 103.07 103.05 1dw3 h GLY 25 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1dw3 h GLY 25 CO 0.03 0.31 0.28 -0.09 0.00 0.00 0.00 176.54 177.07 1dw3 h ARG 26 N 0.22 0.55 -0.55 4.80 2.43 -0.66 -0.97 114.38 120.20 1dw3 h ARG 26 Ca 0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1dw3 h ARG 26 Cb 0.38 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1dw3 h ARG 26 CO 0.01 0.36 0.03 0.00 -1.51 0.00 0.00 179.97 178.86 1dw3 h ALA 27 N 1.22 0.74 -0.37 2.80 0.00 -1.27 -1.87 119.26 120.52 1dw3 h ALA 27 Ca 0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dw3 h ALA 27 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dw3 h ALA 27 CO -0.10 0.54 -0.13 1.25 0.00 0.00 0.00 179.25 180.81 1dw3 h LEU 28 N 0.84 0.76 -0.73 0.00 5.85 -1.08 -2.14 115.31 118.81 1dw3 h LEU 28 Ca 0.16 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1dw3 h LEU 28 Cb 0.50 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1dw3 h LEU 28 CO 0.02 0.97 0.40 0.15 -0.34 0.00 0.00 178.44 179.65 1dw3 h PHE 29 N 0.54 0.99 0.00 1.25 3.57 -0.89 -2.77 116.94 119.63 1dw3 h PHE 29 Ca 0.09 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1dw3 h PHE 29 Cb 0.66 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1dw3 h PHE 29 CO 0.05 0.70 0.00 1.28 -2.23 0.00 0.00 178.31 178.11 1dw3 n LEU 30 N -4.48 0.30 -4.72 0.59 4.77 -0.73 -3.48 117.00 109.25 1dw3 n LEU 30 Ca 0.06 0.53 -0.31 0.00 -0.03 0.00 0.00 56.01 56.26 1dw3 n LEU 30 Cb 0.09 -0.44 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1dw3 n LEU 30 CO 0.38 -0.07 0.70 -0.94 -1.33 0.00 0.00 177.39 176.13 1dw3 s SER 31 N -3.56 3.83 -0.22 -1.43 1.04 -0.81 -4.91 113.70 107.65 1dw3 s SER 31 Ca 0.13 2.05 -0.08 0.00 0.48 0.00 0.00 55.95 58.52 1dw3 s SER 31 Cb 0.16 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1dw3 s SER 31 CO 0.55 -2.49 0.08 -0.89 0.98 0.00 0.00 173.24 171.47 1dw3 s THR 32 N -2.67 4.63 0.25 2.02 2.01 -1.26 -4.41 115.64 116.22 1dw3 s THR 32 Ca 0.65 -0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.67 1dw3 s THR 32 Cb -0.21 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1dw3 s THR 32 CO 0.55 0.38 0.02 -1.10 -0.69 0.00 0.00 174.62 173.78 1dw3 s GLN 33 N 1.11 2.39 0.00 4.92 -1.52 0.18 -5.01 119.66 121.73 1dw3 s GLN 33 Ca 0.05 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 52.14 1dw3 s GLN 33 Cb -0.14 -2.24 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 1dw3 s GLN 33 CO 0.04 0.38 0.08 0.25 -0.25 0.00 0.00 175.29 175.79 1dw3 n THR 34 N -0.81 0.00 1.03 -0.19 -2.24 -1.26 -4.66 114.28 106.15 1dw3 n THR 34 Ca -0.07 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1dw3 n THR 34 Cb 0.58 1.04 0.39 0.00 -2.10 0.00 0.00 70.33 70.25 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 0.62 -1.29 0.00 3.38 0.00 -1.26 -4.94 105.19 101.69 1dw3 n GLY 35 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.48 2.02 3.76 -0.02 0.00 -1.14 -4.14 105.19 107.15 1dw3 n GLY 36 Ca 0.07 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 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 4.33 4.50 0.34 1.61 1.02 0.89 -4.92 119.74 127.51 1dw3 s LYS 37 Ca 0.00 1.77 0.03 0.00 0.02 0.00 0.00 55.97 57.79 1dw3 s LYS 37 Cb 0.00 -3.03 0.64 0.00 -0.52 0.00 0.00 37.83 34.92 1dw3 s LYS 37 CO 0.00 0.10 1.95 -1.00 -0.92 0.00 0.00 175.35 175.48 1dw3 h PRO 38 N 3.48 0.86 -0.00 -1.68 0.13 -1.95 -2.13 132.00 130.70 1dw3 h PRO 38 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1dw3 h PRO 38 Cb 1.21 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1dw3 h PRO 38 CO 0.66 0.57 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.58 1dw3 n ASP 39 N -4.47 0.24 -3.37 1.44 3.85 -1.26 -4.30 116.55 108.68 1dw3 n ASP 39 Ca 0.11 -0.90 -0.26 0.00 -0.71 0.00 0.00 54.79 53.03 1dw3 n ASP 39 Cb 0.18 -0.05 -0.08 0.00 -1.35 0.00 0.00 41.12 39.82 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 -0.88 0.19 0.25 2.12 -2.24 -0.80 -4.95 114.28 107.97 1dw3 n THR 40 Ca 0.21 -4.28 0.14 0.00 -2.27 0.00 0.00 64.05 57.85 1dw3 n THR 40 Cb 0.18 -1.95 0.62 0.00 -2.10 0.00 0.00 70.33 67.08 1dw3 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw3 h PRO 41 N 4.53 0.00 -4.01 -0.78 0.13 -1.75 -3.36 132.00 126.76 1dw3 h PRO 41 Ca 0.15 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.16 1dw3 h PRO 41 Cb 0.82 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.81 1dw3 h PRO 41 CO 0.56 0.12 -0.44 0.45 -0.23 0.00 0.00 178.00 178.46 1dw3 s SER 42 N -5.97 0.16 0.38 1.44 0.15 -1.26 0.49 113.70 109.09 1dw3 s SER 42 Ca -0.00 -0.90 0.07 0.00 0.70 0.00 0.00 55.95 55.82 1dw3 s SER 42 Cb 0.10 0.36 0.74 0.00 -1.71 0.00 0.00 66.02 65.52 1dw3 s SER 42 CO 0.58 -0.79 1.95 0.00 1.20 0.00 0.00 173.24 176.18 1dw3 h THR 44 N 0.44 0.00 -0.82 0.00 1.35 -1.78 -1.83 112.91 110.26 1dw3 h THR 44 Ca 0.10 -0.38 0.11 0.00 -0.55 0.00 0.00 66.41 65.69 1dw3 h THR 44 Cb 0.21 1.27 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 1dw3 h THR 44 CO 0.00 0.00 0.54 0.74 -0.25 0.00 0.00 175.52 176.55 1dw3 h THR 45 N 0.00 0.93 0.00 6.82 2.02 -1.28 -0.02 112.91 121.37 1dw3 h THR 45 Ca 0.00 -0.25 -0.27 0.00 0.77 0.00 0.00 66.41 66.66 1dw3 h THR 45 Cb 0.42 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1dw3 h THR 45 CO 0.00 0.13 -2.03 0.00 0.37 0.00 0.00 175.52 174.00 1dw3 n HIS 47 N -2.95 0.07 -0.14 0.00 8.25 -0.70 -0.55 115.22 119.19 1dw3 n HIS 47 Ca -0.31 0.02 0.02 0.00 -0.26 0.00 0.00 57.72 57.19 1dw3 n HIS 47 Cb 0.86 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.67 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 1.48 -2.01 0.15 -1.41 0.00 -0.03 -4.48 105.19 98.88 1dw3 n GLY 48 Ca 0.05 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1dw3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw3 h ALA 49 N -0.14 0.77 -3.68 4.61 0.00 -1.95 -3.41 119.26 115.46 1dw3 h ALA 49 Ca -0.01 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1dw3 h ALA 49 Cb 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 17.55 1dw3 h ALA 49 CO 0.00 0.00 -0.73 0.34 0.00 0.00 0.00 179.25 178.87 1dw3 s ASP 50 N -5.43 4.73 0.00 0.00 3.68 -1.26 -4.99 116.67 113.40 1dw3 s ASP 50 Ca 0.05 -1.81 0.23 0.00 2.13 0.00 0.00 52.55 53.15 1dw3 s ASP 50 Cb 0.09 -1.63 1.38 0.00 -1.45 0.00 0.00 42.92 41.31 1dw3 s ASP 50 CO 0.71 -0.32 1.89 1.33 0.13 0.00 0.00 175.17 178.91 1dw3 n VAL 51 N 4.38 0.00 1.22 1.11 0.24 -1.26 -1.82 118.33 122.20 1dw3 n VAL 51 Ca -0.04 -0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.39 1dw3 n VAL 51 Cb 0.42 -0.35 0.50 0.00 -1.47 0.00 0.00 33.84 32.94 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 -0.85 0.00 -3.59 3.34 -2.24 -1.26 -1.21 114.28 108.48 1dw3 n THR 52 Ca 0.17 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 1dw3 n THR 52 Cb 0.08 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.69 2.65 0.53 -0.78 0.52 -0.76 -4.86 118.95 113.56 1dw3 s ARG 53 Ca 0.21 -1.40 -0.20 0.00 -0.52 0.00 0.00 55.73 53.82 1dw3 s ARG 53 Cb 0.19 -2.47 -0.07 0.00 0.52 0.00 0.00 34.95 33.13 1dw3 s ARG 53 CO 0.54 -0.09 1.11 0.00 0.02 0.00 0.00 175.30 176.87 1dw3 s ALA 54 N -2.39 2.74 0.00 2.13 0.00 -1.26 -4.23 121.76 118.75 1dw3 s ALA 54 Ca 0.46 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1dw3 s ALA 54 Cb -0.05 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1dw3 s ALA 54 CO 0.28 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1dw3 n GLY 55 N 0.05 2.90 3.37 0.00 0.00 -0.05 -4.87 105.19 106.60 1dw3 n GLY 55 Ca 0.11 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 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 0.30 0.54 1.16 1.61 0.00 0.29 -1.18 119.66 122.38 1dw3 s GLN 56 Ca 0.00 0.69 -0.19 0.00 -0.00 0.00 0.00 55.36 55.85 1dw3 s GLN 56 Cb 0.00 0.24 0.28 0.00 0.00 0.00 0.00 33.01 33.52 1dw3 s GLN 56 CO 0.00 -0.08 1.19 0.95 0.00 0.00 0.00 175.29 177.35 1dw3 s THR 57 N 0.41 1.68 -1.14 3.63 -4.23 -0.08 -4.25 115.64 111.66 1dw3 s THR 57 Ca -0.01 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1dw3 s THR 57 Cb -0.04 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.32 1dw3 s THR 57 CO -0.01 0.00 1.44 0.54 -0.54 0.00 0.00 174.62 176.05 1dw3 n ARG 58 N -4.54 0.07 -0.05 3.99 5.12 -1.26 -0.48 116.66 119.51 1dw3 n ARG 58 Ca 0.15 0.22 0.06 0.00 -1.93 0.00 0.00 57.85 56.35 1dw3 n ARG 58 Cb 0.60 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.48 1dw3 n ARG 58 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1dw3 n THR 59 N -1.43 0.25 -0.44 0.55 -1.04 -1.26 -4.99 114.28 105.92 1dw3 n THR 59 Ca 0.05 -0.62 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 1dw3 n THR 59 Cb 0.15 1.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.73 1dw3 n THR 59 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dw3 n GLY 60 N 0.69 0.78 3.82 3.41 0.00 0.37 -5.06 105.19 109.20 1dw3 n GLY 60 Ca 0.09 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.59 4.25 0.27 1.61 -0.14 -1.26 -4.75 119.74 119.13 1dw3 s LYS 61 Ca 0.00 1.04 -0.29 0.00 -1.36 0.00 0.00 55.97 55.35 1dw3 s LYS 61 Cb 0.00 -2.43 -0.10 0.00 -1.68 0.00 0.00 37.83 33.63 1dw3 s LYS 61 CO 0.00 0.11 1.29 -2.00 -0.76 0.00 0.00 175.35 174.00 1dw3 s GLU 62 N -2.79 4.40 -0.13 1.68 2.12 -1.26 -0.90 118.70 121.81 1dw3 s GLU 62 Ca 0.56 2.11 0.02 0.00 0.36 0.00 0.00 54.97 58.02 1dw3 s GLU 62 Cb -0.12 -3.13 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1dw3 s GLU 62 CO 0.17 -0.18 -0.19 0.42 -0.54 0.00 0.00 175.26 174.94 1dw3 s ILE 63 N -0.58 2.42 0.62 -3.70 1.01 -0.32 -4.85 121.20 115.80 1dw3 s ILE 63 Ca 0.52 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1dw3 s ILE 63 Cb -0.38 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1dw3 s ILE 63 CO 0.45 0.54 1.21 0.00 0.00 0.00 0.00 174.94 177.14 1dw3 n ALA 64 N 3.83 0.94 -1.67 9.38 0.00 -1.26 -0.87 120.51 130.86 1dw3 n ALA 64 Ca -0.19 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1dw3 n ALA 64 Cb 0.52 -2.27 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 -1.57 1.92 0.16 0.00 -0.02 -1.26 -4.58 135.00 129.65 1dw3 n PRO 65 Ca 0.15 0.67 0.04 0.00 -2.02 0.00 0.00 63.50 62.34 1dw3 n PRO 65 Cb 0.47 -2.20 0.13 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.40 0.00 -9.69 2.45 3.38 -1.58 -3.41 115.31 108.85 1dw3 h LEU 66 Ca -0.44 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.00 1dw3 h LEU 66 Cb 1.30 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.10 1dw3 h LEU 66 CO 0.62 0.45 0.79 0.00 0.09 0.00 0.00 178.44 180.39 1dw3 s ALA 67 N -3.16 3.67 0.53 1.53 0.00 -0.35 -4.90 121.76 119.08 1dw3 s ALA 67 Ca 0.03 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.55 1dw3 s ALA 67 Cb 0.08 -3.58 1.53 0.00 0.00 0.00 0.00 23.12 21.16 1dw3 s ALA 67 CO 0.72 -0.74 2.17 -1.35 0.00 0.00 0.00 175.76 176.56 1dw3 h PRO 68 N 5.72 0.00 -0.23 0.00 0.11 -1.76 0.00 132.00 135.85 1dw3 h PRO 68 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 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 0.83 0.04 -0.05 0.66 -0.21 0.00 0.00 178.00 179.27 1dw3 h SER 69 N 0.00 0.33 0.18 -2.05 4.64 -1.91 -3.10 113.55 111.63 1dw3 h SER 69 Ca -0.00 -0.06 -0.35 0.00 -0.47 0.00 0.00 61.79 60.91 1dw3 h SER 69 Cb 0.10 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1dw3 h SER 69 CO 0.01 0.43 -2.07 0.00 -0.87 0.00 0.00 176.83 174.33 1dw3 n ALA 70 N -2.49 1.22 -3.76 5.18 0.00 -0.78 -4.78 120.51 115.10 1dw3 n ALA 70 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 53.44 52.32 1dw3 n ALA 70 Cb 0.24 -0.55 -0.14 0.00 0.00 0.00 0.00 19.45 19.00 1dw3 n ALA 70 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dw3 s THR 71 N -2.55 1.26 0.57 0.00 -1.32 -0.08 -4.96 115.64 108.56 1dw3 s THR 71 Ca -0.19 -1.99 0.27 0.00 -1.21 0.00 0.00 61.69 58.56 1dw3 s THR 71 Cb 0.07 -1.92 0.34 0.00 -1.51 0.00 0.00 72.50 69.49 1dw3 s THR 71 CO 0.76 -0.76 2.17 -0.65 -2.21 0.00 0.00 174.62 173.93 1dw3 h PRO 72 N 7.46 0.00 -0.34 7.08 0.11 -1.81 -2.83 132.00 141.67 1dw3 h PRO 72 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1dw3 h PRO 72 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1dw3 h PRO 72 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 1dw3 n ASP 73 N -3.98 1.75 -4.71 -2.05 5.75 -1.26 -4.93 116.55 107.11 1dw3 n ASP 73 Ca -0.01 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.34 1dw3 n ASP 73 Cb 0.20 -0.23 0.01 0.00 -1.03 0.00 0.00 41.12 40.07 1dw3 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dw3 n ARG 74 N 0.41 2.00 -3.72 0.11 5.12 -1.07 -3.21 116.66 116.30 1dw3 n ARG 74 Ca 0.11 0.71 -0.26 0.00 -1.93 0.00 0.00 57.85 56.47 1dw3 n ARG 74 Cb 0.28 -2.41 0.06 0.00 -1.16 0.00 0.00 32.46 29.23 1dw3 n ARG 74 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1dw3 n PHE 75 N -0.15 -2.62 -0.43 -1.55 3.72 -1.26 -4.84 117.46 110.33 1dw3 n PHE 75 Ca 0.06 0.97 0.02 0.00 -0.05 0.00 0.00 57.45 58.45 1dw3 n PHE 75 Cb 0.39 -4.62 0.03 0.00 -0.94 0.00 0.00 39.48 34.35 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 -4.84 1.08 -3.75 4.37 -2.24 -1.20 -3.21 114.28 104.49 1dw3 n THR 76 Ca 0.00 -1.17 -0.26 0.00 -2.27 0.00 0.00 64.05 60.36 1dw3 n THR 76 Cb 0.55 0.37 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.35 2.33 0.15 3.42 -1.08 -1.26 -1.25 116.67 117.62 1dw3 s ASP 77 Ca 0.08 -0.50 -0.12 0.00 -0.52 0.00 0.00 52.55 51.49 1dw3 s ASP 77 Cb 0.07 -0.53 0.01 0.00 -1.46 0.00 0.00 42.92 41.01 1dw3 s ASP 77 CO 0.01 -0.26 1.58 0.77 0.52 0.00 0.00 175.17 177.80 1dw3 h SER 78 N 8.28 0.87 -0.68 -0.34 4.64 -1.91 -2.86 113.55 121.55 1dw3 h SER 78 Ca -0.18 -0.33 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 1dw3 h SER 78 Cb 1.12 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.95 1dw3 h SER 78 CO 0.31 0.99 0.32 0.00 -0.87 0.00 0.00 176.83 177.57 1dw3 h ALA 79 N 0.91 0.88 -0.79 5.18 0.00 -1.99 -2.73 119.26 120.72 1dw3 h ALA 79 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dw3 h ALA 79 Cb 0.56 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1dw3 h ALA 79 CO 0.03 0.46 0.43 -0.09 0.00 0.00 0.00 179.25 180.08 1dw3 h ARG 80 N 0.95 1.10 -0.42 0.00 2.43 -1.96 0.36 114.38 116.84 1dw3 h ARG 80 Ca 0.23 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1dw3 h ARG 80 Cb 0.14 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1dw3 h ARG 80 CO -0.03 0.81 0.06 0.28 -1.51 0.00 0.00 179.97 179.59 1dw3 h VAL 81 N 1.11 1.24 -0.35 0.20 2.07 -1.42 -2.03 116.25 117.07 1dw3 h VAL 81 Ca 0.28 -0.89 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1dw3 h VAL 81 Cb 0.03 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1dw3 h VAL 81 CO -0.04 0.31 -0.24 -0.33 0.02 0.00 0.00 177.57 177.29 1dw3 h GLU 82 N 0.55 0.70 -0.14 1.57 4.39 -1.15 0.26 114.58 120.77 1dw3 h GLU 82 Ca 0.13 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 1dw3 h GLU 82 Cb 0.38 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1dw3 h GLU 82 CO 0.01 0.87 0.08 -0.22 -1.16 0.00 0.00 179.01 178.59 1dw3 h LYS 83 N 0.61 0.19 -0.04 2.33 3.64 -0.78 0.09 116.57 122.62 1dw3 h LYS 83 Ca 0.08 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 1dw3 h LYS 83 Cb 0.72 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1dw3 h LYS 83 CO 0.06 0.20 -0.79 -1.49 -2.27 0.00 0.00 179.45 175.15 1dw3 h TRP 84 N 0.14 0.47 -0.48 1.91 4.06 -1.30 -2.56 115.95 118.18 1dw3 h TRP 84 Ca 0.05 -0.23 -0.10 0.00 2.06 0.00 0.00 58.89 60.67 1dw3 h TRP 84 Cb 0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1dw3 h TRP 84 CO -0.05 1.00 -0.12 -0.07 -3.56 0.00 0.00 178.44 175.65 1dw3 h LEU 85 N 0.22 0.89 0.30 -4.49 3.38 -0.92 0.21 115.31 114.90 1dw3 h LEU 85 Ca -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1dw3 h LEU 85 Cb 1.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1dw3 h LEU 85 CO 0.13 1.02 -0.15 1.23 0.09 0.00 0.00 178.44 180.77 1dw3 h GLY 86 N 0.96 -0.43 0.81 0.83 0.00 -0.88 -0.57 103.07 103.79 1dw3 h GLY 86 Ca 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1dw3 h GLY 86 CO 0.04 -0.15 0.01 -0.09 0.00 0.00 0.00 176.54 176.35 1dw3 h ARG 87 N -0.43 0.03 -0.18 4.80 2.43 -1.31 -3.06 114.38 116.66 1dw3 h ARG 87 Ca -0.04 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.94 1dw3 h ARG 87 Cb 0.33 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1dw3 h ARG 87 CO 0.07 0.22 -0.62 -0.91 -1.51 0.00 0.00 179.97 177.22 1dw3 h ASN 88 N -0.17 0.73 -0.47 -3.80 2.35 -0.57 -1.89 115.58 111.76 1dw3 h ASN 88 Ca 0.01 -0.42 -0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1dw3 h ASN 88 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 1dw3 h ASN 88 CO -0.00 1.17 0.19 0.00 -1.65 0.00 0.00 177.43 177.14 1dw3 h ASN 90 N 0.61 0.70 -0.57 0.00 4.21 -1.41 0.36 115.58 119.48 1dw3 h ASN 90 Ca 0.16 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.49 1dw3 h ASN 90 Cb 0.18 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 1dw3 h ASN 90 CO -0.01 0.64 0.19 0.28 -1.29 0.00 0.00 177.43 177.24 1dw3 h SER 91 N 0.71 0.83 0.00 5.81 0.02 -1.28 -0.91 113.55 118.73 1dw3 h SER 91 Ca 0.18 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1dw3 h SER 91 Cb 0.13 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1dw3 h SER 91 CO -0.02 0.81 -0.21 0.58 -1.14 0.00 0.00 176.83 176.84 1dw3 h VAL 92 N 0.80 1.11 0.00 2.27 2.07 -1.18 0.25 116.25 121.57 1dw3 h VAL 92 Ca 0.19 -1.90 -0.23 0.00 0.82 0.00 0.00 66.70 65.58 1dw3 h VAL 92 Cb 0.27 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 1dw3 h VAL 92 CO -0.01 0.37 -1.49 0.40 0.02 0.00 0.00 177.57 176.87 1dw3 h ILE 93 N -1.00 0.75 0.00 4.57 2.04 -1.07 -3.03 117.51 119.77 1dw3 h ILE 93 Ca -0.05 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.39 1dw3 h ILE 93 Cb 0.76 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1dw3 h ILE 93 CO -0.03 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.16 1dw3 n GLY 94 N 1.46 0.65 3.65 5.37 0.00 -0.34 -3.57 105.19 112.41 1dw3 n GLY 94 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.91 1.69 0.69 1.61 1.70 -1.25 -4.92 118.95 117.56 1dw3 s ARG 95 Ca 0.00 -1.26 -0.15 0.00 -0.47 0.00 0.00 55.73 53.85 1dw3 s ARG 95 Cb 0.00 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1dw3 s ARG 95 CO 0.00 -0.73 1.16 -0.51 -1.08 0.00 0.00 175.30 174.14 1dw3 s ASP 96 N -3.02 4.66 0.40 -2.89 1.01 -1.26 -2.91 116.67 112.65 1dw3 s ASP 96 Ca 0.20 2.18 -0.23 0.00 0.71 0.00 0.00 52.55 55.41 1dw3 s ASP 96 Cb -0.02 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1dw3 s ASP 96 CO 0.10 -1.94 0.98 0.00 0.21 0.00 0.00 175.17 174.52 1dw3 s THR 98 N -1.86 2.73 0.42 0.00 -4.23 -1.26 -4.87 115.64 106.57 1dw3 s THR 98 Ca 0.58 0.24 0.11 0.00 -1.18 0.00 0.00 61.69 61.44 1dw3 s THR 98 Cb -0.16 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 70.80 1dw3 s THR 98 CO 0.20 -0.31 1.99 -0.65 -0.54 0.00 0.00 174.62 175.31 1dw3 h PRO 99 N -1.09 0.22 -0.42 3.99 0.11 -1.93 -1.20 132.00 131.68 1dw3 h PRO 99 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 1dw3 h PRO 99 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1dw3 h PRO 99 CO 0.62 0.28 -0.28 0.78 -0.21 0.00 0.00 178.00 179.19 1dw3 h GLY 100 N 0.55 1.01 1.03 -0.55 0.00 -1.90 -0.80 103.07 102.40 1dw3 h GLY 100 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 47.33 46.36 1dw3 h GLY 100 CO 0.01 0.87 0.15 0.83 0.00 0.00 0.00 176.54 178.40 1dw3 h GLU 101 N 0.75 1.00 -0.46 4.80 5.08 -1.77 -1.36 114.58 122.62 1dw3 h GLU 101 Ca 0.08 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1dw3 h GLU 101 Cb 0.87 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1dw3 h GLU 101 CO 0.08 0.91 0.15 0.87 -1.00 0.00 0.00 179.01 180.02 1dw3 h LYS 102 N 0.92 0.72 -0.03 2.33 1.57 -1.03 0.14 116.57 121.17 1dw3 h LYS 102 Ca 0.19 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1dw3 h LYS 102 Cb 0.36 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1dw3 h LYS 102 CO 0.00 0.68 0.02 0.00 -0.57 0.00 0.00 179.45 179.58 1dw3 h ALA 103 N 1.00 0.04 -0.53 3.86 0.00 -1.07 -1.47 119.26 121.09 1dw3 h ALA 103 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1dw3 h ALA 103 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1dw3 h ALA 103 CO -0.01 -0.44 0.28 -0.44 0.00 0.00 0.00 179.25 178.65 1dw3 h ASP 104 N 0.00 0.68 -0.12 0.00 3.45 -0.95 -0.65 116.42 118.82 1dw3 h ASP 104 Ca 0.01 -0.11 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 1dw3 h ASP 104 Cb 0.04 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 1dw3 h ASP 104 CO -0.00 0.60 0.06 -0.07 -1.57 0.00 0.00 179.24 178.26 1dw3 h LEU 105 N 0.71 0.16 -0.66 1.55 3.38 -0.58 -2.53 115.31 117.34 1dw3 h LEU 105 Ca 0.19 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1dw3 h LEU 105 Cb 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1dw3 h LEU 105 CO -0.03 0.21 -0.43 -0.07 0.09 0.00 0.00 178.44 178.21 1dw3 h LEU 106 N 0.09 0.57 -1.39 1.67 3.38 -1.24 -0.59 115.31 117.81 1dw3 h LEU 106 Ca 0.04 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1dw3 h LEU 106 Cb 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1dw3 h LEU 106 CO -0.01 0.93 0.45 0.00 0.09 0.00 0.00 178.44 179.90 1dw3 h ALA 107 N 1.09 1.65 -0.01 1.53 0.00 -1.05 0.32 119.26 122.80 1dw3 h ALA 107 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1dw3 h ALA 107 Cb 0.93 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1dw3 h ALA 107 CO 0.08 0.27 -0.27 2.35 0.00 0.00 0.00 179.25 181.68 1dw3 h TRP 108 N 0.78 0.28 -0.35 0.00 7.01 -1.00 -3.28 115.95 119.40 1dw3 h TRP 108 Ca 0.28 -0.15 -0.09 0.00 2.11 0.00 0.00 58.89 61.04 1dw3 h TRP 108 Cb 0.12 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.13 1dw3 h TRP 108 CO -0.00 0.94 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.35 1dw3 h LEU 109 N -0.46 0.63 -1.90 0.65 3.38 -0.85 -2.80 115.31 113.96 1dw3 h LEU 109 Ca -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1dw3 h LEU 109 Cb 1.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1dw3 h LEU 109 CO 0.05 0.81 -0.09 0.00 0.09 0.00 0.00 178.44 179.30 1dw3 h ALA 110 N 1.24 1.16 -0.13 1.53 0.00 -0.45 -2.50 119.26 120.11 1dw3 h ALA 110 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dw3 h ALA 110 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dw3 h ALA 110 CO 0.04 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1dw3 n ALA 111 N -2.21 2.53 1.57 0.00 0.00 -1.06 -4.77 120.51 116.57 1dw3 n ALA 111 Ca -0.01 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.04 1dw3 n ALA 111 Cb 0.25 -1.09 0.58 0.00 0.00 0.00 0.00 19.45 19.19 1dw3 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54