#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wv9 s LYS 3 N 0.00 3.82 -0.20 -0.14 -0.14 -1.26 -2.92 119.74 118.90 1wv9 s LYS 3 Ca 0.00 0.56 0.01 0.00 -1.36 0.00 0.00 55.97 55.18 1wv9 s LYS 3 Cb 0.00 -2.35 0.03 0.00 -1.68 0.00 0.00 37.83 33.83 1wv9 s LYS 3 CO 0.00 -0.06 -0.16 0.08 -0.76 0.00 0.00 175.35 174.45 1wv9 s VAL 4 N -2.39 1.96 0.23 3.17 1.01 0.13 -4.90 120.40 119.60 1wv9 s VAL 4 Ca 0.53 -1.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.18 1wv9 s VAL 4 Cb -0.10 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1wv9 s VAL 4 CO 0.31 0.34 0.84 0.00 0.00 0.00 0.00 175.10 176.59 1wv9 s ARG 5 N 1.29 4.59 0.31 2.72 1.70 -1.26 -1.44 118.95 126.86 1wv9 s ARG 5 Ca 0.01 1.22 0.21 0.00 -0.47 0.00 0.00 55.73 56.70 1wv9 s ARG 5 Cb -0.15 -3.09 1.09 0.00 -0.57 0.00 0.00 34.95 32.23 1wv9 s ARG 5 CO -0.10 0.46 1.19 -2.30 -1.08 0.00 0.00 175.30 173.47 1wv9 n PRO 6 N 1.18 -0.04 0.16 3.89 -0.02 -1.26 0.77 135.00 139.69 1wv9 n PRO 6 Ca -0.02 0.99 0.13 0.00 -2.02 0.00 0.00 63.50 62.58 1wv9 n PRO 6 Cb 0.49 -1.88 0.50 0.00 -0.02 0.00 0.00 33.50 32.58 1wv9 n PRO 6 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1wv9 h GLU 7 N 0.00 0.00 0.00 -0.52 4.11 -1.98 -2.94 114.58 113.25 1wv9 h GLU 7 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.09 1wv9 h GLU 7 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 1wv9 h GLU 7 CO -0.45 0.00 -0.83 0.39 0.07 0.00 0.00 179.01 178.19 1wv9 n GLU 8 N -2.48 0.12 0.13 1.06 1.02 0.23 -4.43 120.64 116.28 1wv9 n GLU 8 Ca 0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 1wv9 n GLU 8 Cb 0.30 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1wv9 n GLU 8 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wv9 h LEU 9 N 0.00 -0.49 -1.32 -4.62 3.38 -1.54 -2.90 115.31 107.82 1wv9 h LEU 9 Ca 0.00 0.05 0.35 0.00 0.09 0.00 0.00 57.88 58.38 1wv9 h LEU 9 Cb 0.60 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 1wv9 h LEU 9 CO 0.00 -0.27 0.73 -0.65 0.09 0.00 0.00 178.44 178.34 1wv9 h PRO 10 N -0.38 0.23 -0.09 1.13 0.11 -1.77 0.23 132.00 131.45 1wv9 h PRO 10 Ca 0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1wv9 h PRO 10 Cb 0.37 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1wv9 h PRO 10 CO -0.06 0.15 -0.20 0.00 -0.21 0.00 0.00 178.00 177.68 1wv9 h ALA 11 N 1.66 0.15 -0.26 -0.75 0.00 -1.80 -3.02 119.26 115.23 1wv9 h ALA 11 Ca 0.72 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1wv9 h ALA 11 Cb 2.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1wv9 h ALA 11 CO -0.41 0.09 0.02 -0.07 0.00 0.00 0.00 179.25 178.88 1wv9 h LEU 12 N -0.16 0.44 -0.19 0.00 3.38 -0.78 -2.95 115.31 115.05 1wv9 h LEU 12 Ca 0.00 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wv9 h LEU 12 Cb 0.79 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1wv9 h LEU 12 CO 0.04 0.62 -0.28 -0.07 0.09 0.00 0.00 178.44 178.84 1wv9 h LEU 13 N 0.25 -0.89 -1.71 1.67 3.38 -0.76 -1.11 115.31 116.15 1wv9 h LEU 13 Ca 0.08 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1wv9 h LEU 13 Cb 0.38 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1wv9 h LEU 13 CO 0.01 -0.32 0.38 -0.33 0.09 0.00 0.00 178.44 178.27 1wv9 h GLU 14 N -0.32 0.32 0.00 1.13 5.08 -1.53 0.44 114.58 119.70 1wv9 h GLU 14 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wv9 h GLU 14 Cb 0.50 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1wv9 h GLU 14 CO -0.37 0.21 0.00 0.39 -1.00 0.00 0.00 179.01 178.24 1wv9 n GLU 15 N -4.46 0.41 -2.04 2.33 1.02 -0.45 -4.88 120.64 112.57 1wv9 n GLU 15 Ca 0.09 0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.27 1wv9 n GLU 15 Cb 0.39 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1wv9 n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wv9 n GLY 16 N 0.53 0.28 3.74 0.62 0.00 0.15 -5.01 105.19 105.50 1wv9 n GLY 16 Ca 0.12 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1wv9 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wv9 n VAL 17 N -4.00 2.75 -2.87 1.61 0.24 -1.06 -4.93 118.33 110.08 1wv9 n VAL 17 Ca -0.03 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.36 1wv9 n VAL 17 Cb 0.52 -1.75 -0.04 0.00 -1.47 0.00 0.00 33.84 31.10 1wv9 n VAL 17 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1wv9 s LEU 18 N -2.36 4.17 -0.16 1.34 0.20 -1.24 -4.90 118.68 115.72 1wv9 s LEU 18 Ca 0.61 1.19 -0.13 0.00 0.69 0.00 0.00 54.13 56.49 1wv9 s LEU 18 Cb -0.47 -3.26 -0.05 0.00 -0.43 0.00 0.00 46.19 41.99 1wv9 s LEU 18 CO 0.57 -0.42 0.27 -0.69 -0.29 0.00 0.00 176.35 175.79 1wv9 s VAL 19 N 2.23 5.32 -0.14 1.68 1.01 -1.26 -0.20 120.40 129.04 1wv9 s VAL 19 Ca 0.39 0.49 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1wv9 s VAL 19 Cb -0.16 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1wv9 s VAL 19 CO 0.12 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.77 1wv9 s VAL 20 N 0.34 1.70 -0.34 2.92 1.01 0.48 -1.76 120.40 124.74 1wv9 s VAL 20 Ca 0.15 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1wv9 s VAL 20 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 1wv9 s VAL 20 CO 0.03 0.48 0.62 -0.62 0.00 0.00 0.00 175.10 175.61 1wv9 s ASP 21 N 1.15 6.44 0.00 3.32 2.15 -0.14 -0.23 116.67 129.35 1wv9 s ASP 21 Ca -0.02 0.23 0.26 0.00 0.43 0.00 0.00 52.55 53.45 1wv9 s ASP 21 Cb -0.14 -2.32 0.58 0.00 -0.30 0.00 0.00 42.92 40.73 1wv9 s ASP 21 CO -0.06 -0.54 1.48 1.33 -0.17 0.00 0.00 175.17 177.21 1wv9 n VAL 22 N 5.51 0.01 -0.71 1.11 0.24 -0.78 -0.54 118.33 123.17 1wv9 n VAL 22 Ca -0.01 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.34 61.58 1wv9 n VAL 22 Cb 0.49 1.04 0.16 0.00 -1.47 0.00 0.00 33.84 34.05 1wv9 n VAL 22 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wv9 n ARG 23 N 0.83 -0.50 0.00 7.34 1.74 -1.26 -1.06 116.66 123.74 1wv9 n ARG 23 Ca 0.16 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1wv9 n ARG 23 Cb 0.49 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 1wv9 n ARG 23 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wv9 n PRO 24 N -3.30 -0.42 -0.01 5.56 -0.04 -1.26 -4.05 135.00 131.47 1wv9 n PRO 24 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1wv9 n PRO 24 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1wv9 n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wv9 n ALA 25 N -3.00 1.62 0.00 0.55 0.00 -1.26 -4.98 120.51 113.44 1wv9 n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wv9 n ALA 25 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1wv9 n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wv9 n ARG 28 N 1.11 0.00 0.00 0.00 1.74 -1.26 -5.22 116.66 113.03 1wv9 n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wv9 n ARG 28 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 1wv9 n ARG 28 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wv9 n SER 29 N 0.00 0.00 -4.53 0.55 7.64 -1.26 -4.88 113.62 111.14 1wv9 n SER 29 Ca 0.00 0.06 -0.47 0.00 1.01 0.00 0.00 58.87 59.48 1wv9 n SER 29 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1wv9 n SER 29 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wv9 n THR 30 N -0.20 1.75 -0.59 0.44 -2.24 -1.26 -4.94 114.28 107.24 1wv9 n THR 30 Ca 0.00 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.03 1wv9 n THR 30 Cb 0.00 -0.67 0.21 0.00 -2.10 0.00 0.00 70.33 67.77 1wv9 n THR 30 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1wv9 n PRO 31 N 1.00 -2.05 -3.88 -0.78 -0.02 -1.26 -5.00 135.00 123.01 1wv9 n PRO 31 Ca 0.13 -0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 60.69 1wv9 n PRO 31 Cb 0.28 -1.85 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 1wv9 n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wv9 s LEU 32 N -3.36 4.98 0.00 2.45 0.20 -1.26 -4.96 118.68 116.73 1wv9 s LEU 32 Ca 0.60 -2.03 0.00 0.00 0.69 0.00 0.00 54.13 53.39 1wv9 s LEU 32 Cb -0.16 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.85 1wv9 s LEU 32 CO 0.66 -0.46 0.48 -0.81 -0.29 0.00 0.00 176.35 175.92 1wv9 n PRO 33 N 4.47 0.71 -4.01 0.98 -0.04 -1.26 -4.73 135.00 131.12 1wv9 n PRO 33 Ca -0.01 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1wv9 n PRO 33 Cb 0.42 -1.23 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1wv9 n PRO 33 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wv9 s PHE 34 N -1.36 0.40 -1.38 0.54 0.08 -1.26 -5.04 117.98 109.96 1wv9 s PHE 34 Ca 0.00 -0.48 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 1wv9 s PHE 34 Cb 0.00 -0.26 0.03 0.00 -0.57 0.00 0.00 43.02 42.22 1wv9 s PHE 34 CO 0.00 -0.14 2.12 0.00 -0.10 0.00 0.00 175.22 177.10 1wv9 n ALA 35 N 1.68 4.99 -2.44 5.36 0.00 -1.26 -4.92 120.51 123.92 1wv9 n ALA 35 Ca -0.23 -3.82 -0.28 0.00 0.00 0.00 0.00 53.44 49.12 1wv9 n ALA 35 Cb 0.55 -3.56 -0.02 0.00 0.00 0.00 0.00 19.45 16.42 1wv9 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wv9 s ALA 36 N 3.63 3.54 -0.18 0.00 0.00 -1.26 -4.62 121.76 122.86 1wv9 s ALA 36 Ca 0.49 -0.56 -0.07 0.00 0.00 0.00 0.00 51.96 51.82 1wv9 s ALA 36 Cb 0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1wv9 s ALA 36 CO -0.04 0.01 0.06 -2.00 0.00 0.00 0.00 175.76 173.79 1wv9 s GLU 37 N -4.03 3.96 -0.31 0.00 2.12 -0.72 -4.89 118.70 114.83 1wv9 s GLU 37 Ca 0.45 -0.35 -0.23 0.00 0.36 0.00 0.00 54.97 55.20 1wv9 s GLU 37 Cb -0.10 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1wv9 s GLU 37 CO 0.35 0.25 0.77 -0.46 -0.54 0.00 0.00 175.26 175.63 1wv9 s TRP 38 N 0.42 3.19 -0.32 5.30 -0.00 -1.26 -0.97 118.94 125.30 1wv9 s TRP 38 Ca 0.03 0.76 -0.02 0.00 -0.00 0.00 0.00 56.10 56.87 1wv9 s TRP 38 Cb -0.13 -3.23 0.11 0.00 -0.00 0.00 0.00 33.47 30.23 1wv9 s TRP 38 CO 0.00 -0.58 0.15 0.08 -0.00 0.00 0.00 176.95 176.60 1wv9 s VAL 39 N 2.95 0.39 0.49 5.86 1.01 0.30 -4.96 120.40 126.44 1wv9 s VAL 39 Ca 0.32 -1.31 -0.23 0.00 0.00 0.00 0.00 61.98 60.76 1wv9 s VAL 39 Cb -0.14 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 1wv9 s VAL 39 CO 0.13 -0.78 1.16 -2.65 0.00 0.00 0.00 175.10 172.96 1wv9 n PRO 40 N 4.73 1.52 -0.11 2.72 -0.02 -1.26 -3.86 135.00 138.72 1wv9 n PRO 40 Ca 0.00 0.55 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1wv9 n PRO 40 Cb 0.40 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1wv9 n PRO 40 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wv9 h LEU 41 N 1.47 -0.06 -0.98 2.45 6.46 -1.31 -1.45 115.31 121.88 1wv9 h LEU 41 Ca -0.48 0.07 0.32 0.00 -0.12 0.00 0.00 57.88 57.67 1wv9 h LEU 41 Cb 1.32 0.12 -0.17 0.00 -0.73 0.00 0.00 40.66 41.20 1wv9 h LEU 41 CO 0.57 0.00 0.26 1.05 -0.62 0.00 0.00 178.44 179.70 1wv9 h GLU 42 N 0.16 0.05 0.09 1.25 4.11 -1.90 0.66 114.58 118.99 1wv9 h GLU 42 Ca 0.19 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.35 1wv9 h GLU 42 Cb 0.24 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1wv9 h GLU 42 CO -0.27 0.04 -1.14 0.87 0.07 0.00 0.00 179.01 178.57 1wv9 h LYS 43 N 0.06 0.33 0.00 1.06 1.57 -1.66 -3.14 116.57 114.78 1wv9 h LYS 43 Ca 0.68 -0.47 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1wv9 h LYS 43 Cb 1.57 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 34.03 1wv9 h LYS 43 CO -0.81 1.18 -0.33 0.82 -0.57 0.00 0.00 179.45 179.74 1wv9 h ILE 44 N 0.13 0.93 0.00 1.86 2.04 0.85 -1.98 117.51 121.33 1wv9 h ILE 44 Ca -0.12 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1wv9 h ILE 44 Cb 1.83 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1wv9 h ILE 44 CO 0.19 0.32 -0.31 1.56 0.00 0.00 0.00 178.15 179.91 1wv9 h GLN 45 N 0.00 0.00 -0.26 2.37 4.20 0.06 -2.68 115.11 118.79 1wv9 h GLN 45 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wv9 h GLN 45 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1wv9 h GLN 45 CO 0.04 0.31 0.00 1.63 -0.67 0.00 0.00 178.83 180.14 1wv9 n LYS 46 N -3.40 2.11 -0.80 1.46 5.02 -0.79 -4.92 118.16 116.84 1wv9 n LYS 46 Ca 0.00 -1.68 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 1wv9 n LYS 46 Cb 0.50 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1wv9 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wv9 n GLY 47 N 1.31 0.11 2.45 0.72 0.00 -1.00 -4.86 105.19 103.92 1wv9 n GLY 47 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1wv9 n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wv9 n GLU 48 N -0.70 4.36 -4.35 1.61 0.28 -0.94 -4.88 120.64 116.02 1wv9 n GLU 48 Ca 0.00 -3.15 -0.23 0.00 -0.16 0.00 0.00 57.16 53.62 1wv9 n GLU 48 Cb 0.23 -2.68 -0.08 0.00 1.43 0.00 0.00 31.44 30.34 1wv9 n GLU 48 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1wv9 n HIS 49 N 2.24 -0.35 -2.73 -1.84 1.44 -1.26 -4.79 115.22 107.92 1wv9 n HIS 49 Ca 0.66 -2.76 -0.04 0.00 -2.01 0.00 0.00 57.72 53.57 1wv9 n HIS 49 Cb 0.25 0.15 0.07 0.00 0.12 0.00 0.00 29.99 30.58 1wv9 n HIS 49 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wv9 n GLY 50 N -0.76 1.68 3.77 -1.39 0.00 -1.26 -5.12 105.19 102.11 1wv9 n GLY 50 Ca 0.01 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1wv9 n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wv9 s LEU 51 N -3.57 4.21 0.69 0.99 1.43 -1.26 -4.97 118.68 116.20 1wv9 s LEU 51 Ca 0.23 2.74 -0.15 0.00 -1.03 0.00 0.00 54.13 55.92 1wv9 s LEU 51 Cb 0.40 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1wv9 s LEU 51 CO -0.04 -0.91 1.15 -2.16 0.23 0.00 0.00 176.35 174.62 1wv9 s PRO 52 N -2.25 2.52 -1.35 1.29 0.04 -1.26 -4.87 135.00 129.11 1wv9 s PRO 52 Ca 0.57 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 1wv9 s PRO 52 Cb -0.40 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1wv9 s PRO 52 CO 0.52 -1.50 2.23 0.54 0.04 0.00 0.00 177.00 178.83 1wv9 n ARG 53 N -2.55 2.68 -3.90 4.56 5.12 -1.26 -4.82 116.66 116.48 1wv9 n ARG 53 Ca 0.12 -2.42 -0.09 0.00 -1.93 0.00 0.00 57.85 53.52 1wv9 n ARG 53 Cb 0.51 -3.18 -0.07 0.00 -1.16 0.00 0.00 32.46 28.57 1wv9 n ARG 53 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1wv9 s ARG 54 N 3.42 1.08 0.26 5.56 1.70 -1.26 -5.06 118.95 124.66 1wv9 s ARG 54 Ca 0.50 -1.06 -0.29 0.00 -0.47 0.00 0.00 55.73 54.41 1wv9 s ARG 54 Cb 0.14 0.38 -0.15 0.00 -0.57 0.00 0.00 34.95 34.76 1wv9 s ARG 54 CO -0.05 -0.39 0.96 -2.30 -1.08 0.00 0.00 175.30 172.43 1wv9 n PRO 55 N -0.18 1.14 -4.28 3.89 -0.02 -1.26 -4.58 135.00 129.71 1wv9 n PRO 55 Ca -0.10 0.40 -0.22 0.00 -2.02 0.00 0.00 63.50 61.56 1wv9 n PRO 55 Cb 0.63 -1.73 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 1wv9 n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wv9 s LEU 56 N 0.83 1.41 -0.36 2.45 1.43 -0.77 -3.73 118.68 119.94 1wv9 s LEU 56 Ca 0.61 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 1wv9 s LEU 56 Cb -0.75 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 44.92 1wv9 s LEU 56 CO 0.59 -0.03 0.19 -0.22 0.23 0.00 0.00 176.35 177.11 1wv9 s LEU 57 N 0.87 4.59 -0.03 1.79 2.96 0.72 -4.37 118.68 125.21 1wv9 s LEU 57 Ca -0.12 -0.91 -0.15 0.00 -0.22 0.00 0.00 54.13 52.74 1wv9 s LEU 57 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1wv9 s LEU 57 CO 0.01 -0.35 0.40 -0.76 -1.32 0.00 0.00 176.35 174.33 1wv9 s LEU 58 N 1.56 4.43 0.19 -0.68 1.02 -1.25 0.18 118.68 124.13 1wv9 s LEU 58 Ca 0.02 0.89 0.05 0.00 0.02 0.00 0.00 54.13 55.12 1wv9 s LEU 58 Cb -0.19 -2.56 -0.05 0.00 0.02 0.00 0.00 46.19 43.41 1wv9 s LEU 58 CO 0.06 0.27 -0.08 0.68 0.02 0.00 0.00 176.35 177.30 1wv9 s VAL 59 N -0.74 1.32 0.30 -1.59 -7.23 0.68 -2.96 120.40 110.19 1wv9 s VAL 59 Ca 0.23 -2.10 -0.19 0.00 -1.81 0.00 0.00 61.98 58.11 1wv9 s VAL 59 Cb -0.16 -2.07 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1wv9 s VAL 59 CO 0.12 -0.56 0.85 0.00 -0.31 0.00 0.00 175.10 175.20 1wv9 h GLU 61 N 2.00 -0.04 0.00 0.00 4.57 -1.95 -0.10 114.58 119.07 1wv9 h GLU 61 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1wv9 h GLU 61 Cb 1.24 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1wv9 h GLU 61 CO 0.35 -0.03 0.00 1.63 -1.18 0.00 0.00 179.01 179.79 1wv9 n LYS 62 N -5.27 0.47 -0.02 1.92 5.02 -1.26 -2.70 118.16 116.32 1wv9 n LYS 62 Ca -0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1wv9 n LYS 62 Cb 0.19 -0.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1wv9 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wv9 n GLY 63 N 0.13 0.86 0.10 0.72 0.00 -1.26 -3.02 105.19 102.72 1wv9 n GLY 63 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1wv9 n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wv9 h LEU 64 N 0.00 0.22 0.13 0.99 3.38 -1.94 -3.30 115.31 114.79 1wv9 h LEU 64 Ca 0.00 -0.90 -0.28 0.00 0.09 0.00 0.00 57.88 56.78 1wv9 h LEU 64 Cb 0.00 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.71 1wv9 h LEU 64 CO 0.00 1.29 -1.19 -0.07 0.09 0.00 0.00 178.44 178.56 1wv9 h LEU 65 N -0.67 0.83 -1.42 1.67 3.38 -1.95 -3.30 115.31 113.85 1wv9 h LEU 65 Ca -0.14 -0.84 -0.02 0.00 0.09 0.00 0.00 57.88 56.98 1wv9 h LEU 65 Cb 1.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1wv9 h LEU 65 CO 0.04 1.58 0.16 0.77 0.09 0.00 0.00 178.44 181.08 1wv9 h SER 66 N 0.19 0.49 0.06 -0.43 4.64 -1.82 -0.68 113.55 116.01 1wv9 h SER 66 Ca -0.18 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.94 1wv9 h SER 66 Cb 1.88 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.83 1wv9 h SER 66 CO 0.23 0.45 -0.52 -0.61 -0.87 0.00 0.00 176.83 175.51 1wv9 h GLN 67 N 0.55 0.50 0.16 4.77 4.15 -1.67 0.35 115.11 123.92 1wv9 h GLN 67 Ca 0.14 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1wv9 h GLN 67 Cb 0.11 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.83 1wv9 h GLN 67 CO -0.01 0.90 -0.08 0.28 -1.93 0.00 0.00 178.83 177.99 1wv9 h VAL 68 N 0.39 0.93 -0.35 2.39 2.07 -1.55 -2.82 116.25 117.32 1wv9 h VAL 68 Ca 0.01 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1wv9 h VAL 68 Cb 1.04 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1wv9 h VAL 68 CO 0.09 0.22 0.23 0.00 0.02 0.00 0.00 177.57 178.14 1wv9 h ALA 69 N -0.13 1.78 0.00 1.67 0.00 -1.15 0.34 119.26 121.78 1wv9 h ALA 69 Ca -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wv9 h ALA 69 Cb 0.53 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wv9 h ALA 69 CO 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 1wv9 h ALA 70 N 1.79 1.39 0.00 0.00 0.00 -0.20 -2.01 119.26 120.22 1wv9 h ALA 70 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1wv9 h ALA 70 Cb -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wv9 h ALA 70 CO -0.03 0.03 -0.24 1.25 0.00 0.00 0.00 179.25 180.27 1wv9 h LEU 71 N 0.00 0.00 -0.70 0.00 5.85 -0.09 -3.16 115.31 117.20 1wv9 h LEU 71 Ca -0.00 -0.89 0.14 0.00 0.84 0.00 0.00 57.88 57.97 1wv9 h LEU 71 Cb 0.08 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 1wv9 h LEU 71 CO 0.00 1.09 0.20 1.88 -0.34 0.00 0.00 178.44 181.27 1wv9 h TYR 72 N -1.00 0.33 0.00 1.25 0.05 -0.92 0.12 116.97 116.81 1wv9 h TYR 72 Ca -0.07 0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.67 1wv9 h TYR 72 Cb 1.04 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1wv9 h TYR 72 CO 0.24 -0.02 -0.38 -0.07 -1.05 0.00 0.00 178.16 176.88 1wv9 h LEU 73 N 0.32 0.00 -1.03 3.88 3.38 -1.53 -3.02 115.31 117.32 1wv9 h LEU 73 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1wv9 h LEU 73 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1wv9 h LEU 73 CO -0.45 0.38 0.39 -0.33 0.09 0.00 0.00 178.44 178.52 1wv9 h GLU 74 N 0.00 1.07 -0.05 1.13 4.39 -0.94 0.24 114.58 120.43 1wv9 h GLU 74 Ca -0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1wv9 h GLU 74 Cb 0.71 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1wv9 h GLU 74 CO 0.05 0.81 0.00 0.00 -1.16 0.00 0.00 179.01 178.71 1wv9 h ALA 75 N 1.36 0.07 0.00 3.43 0.00 -1.37 -2.72 119.26 120.02 1wv9 h ALA 75 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wv9 h ALA 75 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wv9 h ALA 75 CO -0.04 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 179.34 1wv9 n GLU 76 N -4.88 0.09 0.00 0.00 1.02 -1.14 -4.78 120.64 110.95 1wv9 n GLU 76 Ca -0.07 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1wv9 n GLU 76 Cb 0.18 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1wv9 n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wv9 n GLY 77 N -1.34 0.83 3.78 0.62 0.00 -1.03 -5.10 105.19 102.95 1wv9 n GLY 77 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1wv9 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wv9 s TYR 78 N -2.00 2.77 -1.01 1.61 2.02 0.06 -4.98 117.35 115.82 1wv9 s TYR 78 Ca 0.00 1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 58.19 1wv9 s TYR 78 Cb 0.00 -3.14 0.25 0.00 -0.40 0.00 0.00 41.96 38.68 1wv9 s TYR 78 CO 0.00 -1.42 0.96 -1.91 -1.57 0.00 0.00 175.55 171.61 1wv9 n GLU 79 N -1.97 3.12 -2.90 -0.62 2.13 -1.26 -4.26 120.64 114.88 1wv9 n GLU 79 Ca 0.10 -4.47 -0.21 0.00 0.66 0.00 0.00 57.16 53.24 1wv9 n GLU 79 Cb 0.52 -2.48 0.08 0.00 0.27 0.00 0.00 31.44 29.83 1wv9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wv9 n ALA 80 N 2.48 0.97 -2.92 4.31 0.00 -1.26 -1.84 120.51 122.24 1wv9 n ALA 80 Ca 0.23 -2.10 -0.10 0.00 0.00 0.00 0.00 53.44 51.47 1wv9 n ALA 80 Cb 0.38 0.51 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 1wv9 n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wv9 s SER 82 N -4.80 -0.11 -0.36 0.00 1.04 -1.15 -4.27 113.70 104.05 1wv9 s SER 82 Ca 0.64 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 1wv9 s SER 82 Cb -0.05 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1wv9 s SER 82 CO 0.41 -0.88 0.78 -0.22 0.98 0.00 0.00 173.24 174.30 1wv9 s LEU 83 N -2.87 4.13 0.11 2.42 2.96 -1.15 0.17 118.68 124.45 1wv9 s LEU 83 Ca 0.08 0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 54.07 1wv9 s LEU 83 Cb 0.02 -3.02 -0.10 0.00 0.50 0.00 0.00 46.19 43.59 1wv9 s LEU 83 CO -0.07 -0.71 1.84 -0.70 -1.32 0.00 0.00 176.35 175.39 1wv9 s GLU 84 N 3.06 4.14 0.00 1.98 2.12 -0.52 -1.31 118.70 128.17 1wv9 s GLU 84 Ca 0.31 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.24 1wv9 s GLU 84 Cb -0.13 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.61 1wv9 s GLU 84 CO 0.16 -0.85 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 1wv9 n GLY 85 N 4.26 1.20 7.00 -1.50 0.00 -1.26 -4.66 105.19 110.24 1wv9 n GLY 85 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wv9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wv9 n GLY 86 N -2.00 -1.14 0.00 -0.02 0.00 -0.43 -3.35 105.19 98.25 1wv9 n GLY 86 Ca 0.00 -1.24 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1wv9 n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wv9 n LEU 87 N 0.00 0.00 0.02 0.99 4.77 -0.05 -3.22 117.00 119.51 1wv9 n LEU 87 Ca 0.00 0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 1wv9 n LEU 87 Cb 0.00 -0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 40.92 1wv9 n LEU 87 CO 0.00 -0.00 -0.24 1.56 -1.33 0.00 0.00 177.39 177.38 1wv9 h GLN 88 N 0.00 0.00 0.00 3.23 4.20 -1.58 -3.22 115.11 117.73 1wv9 h GLN 88 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wv9 h GLN 88 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1wv9 h GLN 88 CO 0.00 0.60 0.00 0.00 -0.67 0.00 0.00 178.83 178.76 1wv9 n ALA 89 N -2.45 1.10 1.08 3.87 0.00 -1.20 -5.13 120.51 117.78 1wv9 n ALA 89 Ca -0.10 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1wv9 n ALA 89 Cb 0.97 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 19.47 1wv9 n ALA 89 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78