#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r47 s HIS 0 N 0.00 2.66 -0.21 1.61 2.46 -1.26 -4.69 115.29 115.87 2r47 s HIS 0 Ca 0.00 0.24 -0.06 0.00 0.47 0.00 0.00 55.06 55.71 2r47 s HIS 0 Cb 0.00 -4.14 -0.03 0.00 -0.13 0.00 0.00 32.58 28.28 2r47 s HIS 0 CO 0.00 -4.44 0.03 -1.64 -2.47 0.00 0.00 174.74 166.22 2r47 s MET 1 N 1.70 3.71 -0.18 2.88 1.00 -1.26 -5.09 119.30 122.06 2r47 s MET 1 Ca 0.76 -0.47 -0.07 0.00 0.00 0.00 0.00 55.69 55.91 2r47 s MET 1 Cb -0.48 -3.18 -0.04 0.00 0.00 0.00 0.00 34.83 31.13 2r47 s MET 1 CO 0.33 0.01 0.06 -2.00 0.00 0.00 0.00 175.02 173.43 2r47 s GLU 2 N 1.04 3.93 0.12 2.03 2.56 -1.26 -5.07 118.70 122.04 2r47 s GLU 2 Ca 0.03 -0.34 -0.31 0.00 0.00 0.00 0.00 54.97 54.35 2r47 s GLU 2 Cb -0.14 -3.20 -0.10 0.00 2.00 0.00 0.00 34.13 32.69 2r47 s GLU 2 CO 0.02 0.31 1.70 0.21 -0.56 0.00 0.00 175.26 176.94 2r47 s LYS 3 N 0.27 4.17 -0.27 4.30 2.20 -1.26 -4.92 119.74 124.23 2r47 s LYS 3 Ca 0.04 2.45 -0.08 0.00 -0.36 0.00 0.00 55.97 58.02 2r47 s LYS 3 Cb -0.12 -3.45 -0.14 0.00 -1.51 0.00 0.00 37.83 32.61 2r47 s LYS 3 CO 0.00 -0.75 -0.31 -0.11 -0.36 0.00 0.00 175.35 173.83 2r47 n LEU 4 N 5.13 2.32 -3.54 5.43 7.94 -1.26 -5.08 117.00 127.94 2r47 n LEU 4 Ca 0.16 0.16 -0.08 0.00 -1.11 0.00 0.00 56.01 55.14 2r47 n LEU 4 Cb 0.39 -0.84 -0.02 0.00 0.53 0.00 0.00 43.42 43.48 2r47 n LEU 4 CO 0.63 0.71 0.65 -1.59 -1.11 0.00 0.00 177.39 176.68 2r47 s LYS 5 N -2.51 0.97 0.17 1.96 -2.85 -1.26 -5.17 119.74 111.06 2r47 s LYS 5 Ca -0.37 -0.40 0.06 0.00 -1.00 0.00 0.00 55.97 54.26 2r47 s LYS 5 Cb 0.13 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2r47 s LYS 5 CO 0.52 -0.43 0.07 -1.21 0.10 0.00 0.00 175.35 174.40 2r47 s GLU 6 N -3.25 2.64 0.06 1.78 2.02 -1.26 -5.11 118.70 115.57 2r47 s GLU 6 Ca 0.06 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 2r47 s GLU 6 Cb -0.01 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 2r47 s GLU 6 CO -0.07 0.46 -0.03 -0.59 0.02 0.00 0.00 175.26 175.05 2r47 s PHE 7 N -1.77 0.57 -0.03 1.61 -0.12 -1.26 -5.15 117.98 111.82 2r47 s PHE 7 Ca 0.29 -1.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2r47 s PHE 7 Cb -0.09 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.91 2r47 s PHE 7 CO 0.21 -0.37 -0.03 0.50 -0.05 0.00 0.00 175.22 175.48 2r47 s ARG 8 N -3.92 0.59 0.00 1.99 3.52 -1.26 -5.00 118.95 114.86 2r47 s ARG 8 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 2r47 s ARG 8 Cb 0.08 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 2r47 s ARG 8 CO -0.09 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2r47 n GLY 9 N 3.96 -0.38 0.15 8.12 0.00 -1.26 -4.27 105.19 111.52 2r47 n GLY 9 Ca -0.25 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 2r47 n GLY 9 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2r47 h ILE 10 N 0.00 1.18 -0.51 -0.61 1.08 -1.99 -1.80 117.51 114.87 2r47 h ILE 10 Ca 0.00 -0.56 0.07 0.00 -0.39 0.00 0.00 64.86 63.97 2r47 h ILE 10 Cb 0.00 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 2r47 h ILE 10 CO 0.00 0.19 0.18 0.11 -0.69 0.00 0.00 178.15 177.95 2r47 h LYS 11 N 0.32 0.35 -0.16 2.37 1.57 -2.00 -1.45 116.57 117.57 2r47 h LYS 11 Ca 0.10 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 2r47 h LYS 11 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2r47 h LYS 11 CO -0.01 0.23 -0.40 0.93 -0.57 0.00 0.00 179.45 179.64 2r47 h GLU 12 N 0.37 0.37 -0.04 3.15 5.08 -1.72 -0.88 114.58 120.91 2r47 h GLU 12 Ca 0.24 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2r47 h GLU 12 Cb 0.26 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2r47 h GLU 12 CO -0.24 0.72 0.02 1.25 -1.00 0.00 0.00 179.01 179.75 2r47 h HIS 13 N 0.31 0.03 -0.87 4.33 2.76 -0.79 -0.31 115.15 120.61 2r47 h HIS 13 Ca 0.03 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2r47 h HIS 13 Cb 0.84 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 2r47 h HIS 13 CO 0.02 0.02 0.57 -0.07 -1.30 0.00 0.00 177.93 177.18 2r47 h LEU 14 N 0.04 0.98 -0.43 0.26 3.38 -1.21 -2.93 115.31 115.40 2r47 h LEU 14 Ca 0.01 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2r47 h LEU 14 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2r47 h LEU 14 CO -0.01 0.70 0.10 1.23 0.09 0.00 0.00 178.44 180.55 2r47 h GLY 15 N 1.16 0.74 2.00 0.83 0.00 -0.73 -0.92 103.07 106.16 2r47 h GLY 15 Ca 0.33 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2r47 h GLY 15 CO -0.08 0.44 -0.26 -0.39 0.00 0.00 0.00 176.54 176.24 2r47 h VAL 16 N 0.56 1.12 -0.11 4.60 -1.51 -1.05 -0.97 116.25 118.90 2r47 h VAL 16 Ca 0.13 -0.93 -0.05 0.00 -1.23 0.00 0.00 66.70 64.63 2r47 h VAL 16 Cb 0.33 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2r47 h VAL 16 CO 0.00 0.26 -0.11 0.15 -1.23 0.00 0.00 177.57 176.64 2r47 h PHE 17 N 0.00 0.33 -0.77 5.19 3.57 -1.28 -1.31 116.94 122.67 2r47 h PHE 17 Ca -0.00 -0.10 0.11 0.00 3.53 0.00 0.00 57.97 61.51 2r47 h PHE 17 Cb 0.49 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 2r47 h PHE 17 CO 0.00 0.69 0.38 0.00 -2.23 0.00 0.00 178.31 177.15 2r47 h ARG 18 N -0.13 0.59 -0.04 1.11 3.08 -0.85 -1.02 114.38 117.12 2r47 h ARG 18 Ca 0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2r47 h ARG 18 Cb 0.64 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2r47 h ARG 18 CO 0.03 0.39 0.02 0.93 -1.07 0.00 0.00 179.97 180.27 2r47 h GLU 19 N 0.61 0.05 -0.59 0.04 5.08 -1.15 -2.23 114.58 116.39 2r47 h GLU 19 Ca 0.39 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 2r47 h GLU 19 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2r47 h GLU 19 CO -0.31 0.07 0.39 0.00 -1.00 0.00 0.00 179.01 178.16 2r47 h ALA 20 N 0.98 1.71 -0.39 3.43 0.00 -0.06 -2.84 119.26 122.09 2r47 h ALA 20 Ca 0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2r47 h ALA 20 Cb 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2r47 h ALA 20 CO -0.00 0.23 0.04 1.33 0.00 0.00 0.00 179.25 180.84 2r47 n VAL 21 N -4.47 2.49 0.00 0.00 0.24 -0.50 -4.71 118.33 111.39 2r47 n VAL 21 Ca 0.07 -1.92 0.07 0.00 -2.04 0.00 0.00 64.34 60.52 2r47 n VAL 21 Cb 0.15 -0.29 0.47 0.00 -1.47 0.00 0.00 33.84 32.70 2r47 n VAL 21 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2r47 h LYS 22 N 2.06 0.44 -0.12 7.34 2.10 -1.15 -0.52 116.57 126.71 2r47 h LYS 22 Ca 0.08 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2r47 h LYS 22 Cb 1.69 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 2r47 h LYS 22 CO 0.36 0.29 0.00 -0.25 -2.00 0.00 0.00 179.45 177.86 2r47 n ASP 23 N -4.48 1.75 -4.84 7.07 8.00 -1.26 -4.96 116.55 117.83 2r47 n ASP 23 Ca 0.05 -1.66 -0.32 0.00 0.71 0.00 0.00 54.79 53.56 2r47 n ASP 23 Cb 0.16 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 2r47 n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r47 s ALA 24 N -1.85 3.12 -0.24 2.24 0.00 -0.21 -5.00 121.76 119.81 2r47 s ALA 24 Ca 0.34 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 2r47 s ALA 24 Cb 0.19 -3.04 -0.13 0.00 0.00 0.00 0.00 23.12 20.14 2r47 s ALA 24 CO 0.29 0.04 -0.27 0.39 0.00 0.00 0.00 175.76 176.21 2r47 n GLU 25 N -0.94 0.55 -4.03 0.00 1.02 -1.26 -4.97 120.64 111.01 2r47 n GLU 25 Ca 0.06 0.19 -0.20 0.00 -0.02 0.00 0.00 57.16 57.20 2r47 n GLU 25 Cb 0.54 -1.42 -0.16 0.00 -0.02 0.00 0.00 31.44 30.38 2r47 n GLU 25 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2r47 s ARG 26 N -2.46 0.63 -0.07 3.49 1.70 -1.26 -1.91 118.95 119.07 2r47 s ARG 26 Ca -0.33 -0.02 0.02 0.00 -0.47 0.00 0.00 55.73 54.93 2r47 s ARG 26 Cb 0.11 -0.75 -0.02 0.00 -0.57 0.00 0.00 34.95 33.72 2r47 s ARG 26 CO 0.48 -0.13 -0.12 0.42 -1.08 0.00 0.00 175.30 174.86 2r47 s ILE 27 N 1.11 3.22 -0.09 4.99 -1.09 -0.65 -1.12 121.20 127.57 2r47 s ILE 27 Ca -0.08 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 2r47 s ILE 27 Cb -0.14 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2r47 s ILE 27 CO -0.01 0.58 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.28 2r47 s GLY 28 N -0.50 1.47 -0.21 6.18 0.00 -0.25 -1.10 107.32 112.90 2r47 s GLY 28 Ca 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.80 2r47 s GLY 28 CO 0.02 -0.45 -0.04 -1.36 0.00 0.00 0.00 173.10 171.27 2r47 s PHE 29 N -0.05 2.96 -0.18 1.90 0.08 -0.13 0.27 117.98 122.83 2r47 s PHE 29 Ca -0.04 -0.83 -0.03 0.00 0.12 0.00 0.00 56.93 56.15 2r47 s PHE 29 Cb -0.14 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 2r47 s PHE 29 CO 0.04 -0.47 -0.07 0.00 -0.10 0.00 0.00 175.22 174.62 2r47 s ALA 30 N 1.34 2.79 0.26 5.36 0.00 -0.08 0.23 121.76 131.65 2r47 s ALA 30 Ca 0.04 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 50.79 2r47 s ALA 30 Cb -0.14 -1.52 0.06 0.00 0.00 0.00 0.00 23.12 21.51 2r47 s ALA 30 CO -0.02 -0.10 0.92 0.20 0.00 0.00 0.00 175.76 176.76 2r47 s GLY 31 N 0.91 0.15 -0.05 0.00 0.00 -0.90 -0.66 107.32 106.78 2r47 s GLY 31 Ca -0.01 -0.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.99 2r47 s GLY 31 CO 0.01 0.96 1.16 0.14 0.00 0.00 0.00 173.10 175.37 2r47 s VAL 32 N -2.48 4.33 0.35 1.40 1.01 -1.26 -0.65 120.40 123.11 2r47 s VAL 32 Ca 0.18 1.65 -0.27 0.00 0.00 0.00 0.00 61.98 63.54 2r47 s VAL 32 Cb -0.04 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 2r47 s VAL 32 CO 0.07 0.02 1.22 -2.65 0.00 0.00 0.00 175.10 173.76 2r47 n PRO 33 N 4.96 1.90 0.00 2.72 -0.02 -1.26 -3.27 135.00 140.04 2r47 n PRO 33 Ca 0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2r47 n PRO 33 Cb 0.47 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2r47 n PRO 33 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r47 n GLY 34 N 0.88 1.87 0.18 -1.23 0.00 -1.26 -4.83 105.19 100.81 2r47 n GLY 34 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2r47 n GLY 34 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2r47 n VAL 35 N 0.00 0.00 0.00 1.61 3.14 -1.23 -4.42 118.33 117.43 2r47 n VAL 35 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2r47 n VAL 35 Cb 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 2r47 n VAL 35 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2r47 n THR 37 N -0.31 0.00 0.14 1.55 -1.04 -1.20 -4.65 114.28 108.77 2r47 n THR 37 Ca 0.00 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2r47 n THR 37 Cb 0.09 0.00 0.53 0.00 -1.82 0.00 0.00 70.33 69.13 2r47 n THR 37 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2r47 h PRO 38 N 0.00 0.23 -0.40 -2.82 0.11 -1.93 -1.09 132.00 126.10 2r47 h PRO 38 Ca 0.00 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.95 2r47 h PRO 38 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 2r47 h PRO 38 CO 0.00 0.17 -0.32 0.74 -0.21 0.00 0.00 178.00 178.38 2r47 h PHE 39 N 0.24 1.09 -0.71 0.65 0.04 -1.95 0.24 116.94 116.54 2r47 h PHE 39 Ca 0.06 -0.31 0.06 0.00 2.80 0.00 0.00 57.97 60.58 2r47 h PHE 39 Cb 0.00 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 2r47 h PHE 39 CO 0.00 1.13 0.41 0.00 -0.60 0.00 0.00 178.31 179.25 2r47 h ALA 40 N 0.79 0.96 -0.51 2.45 0.00 -1.81 -1.84 119.26 119.30 2r47 h ALA 40 Ca 0.07 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2r47 h ALA 40 Cb 0.91 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2r47 h ALA 40 CO 0.08 0.10 -0.12 1.96 0.00 0.00 0.00 179.25 181.28 2r47 h GLN 41 N 0.75 0.95 -0.16 0.00 4.20 -0.80 -0.09 115.11 119.96 2r47 h GLN 41 Ca 0.32 -0.35 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2r47 h GLN 41 Cb 0.18 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2r47 h GLN 41 CO -0.18 1.01 0.03 1.25 -0.67 0.00 0.00 178.83 180.27 2r47 h LEU 42 N 0.85 0.25 -0.28 1.46 5.85 -0.68 -1.39 115.31 121.36 2r47 h LEU 42 Ca 0.13 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.43 2r47 h LEU 42 Cb 0.66 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2r47 h LEU 42 CO 0.05 0.43 -0.86 -0.26 -0.34 0.00 0.00 178.44 177.45 2r47 h PHE 43 N 0.06 0.03 -0.75 1.25 0.04 -1.32 -2.48 116.94 113.77 2r47 h PHE 43 Ca 0.05 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2r47 h PHE 43 Cb 0.28 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 2r47 h PHE 43 CO 0.01 0.87 0.49 0.00 -0.60 0.00 0.00 178.31 179.08 2r47 h ALA 44 N 1.12 0.95 -0.84 2.45 0.00 -0.95 -2.50 119.26 119.49 2r47 h ALA 44 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2r47 h ALA 44 Cb 1.52 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2r47 h ALA 44 CO 0.11 0.38 0.53 -0.92 0.00 0.00 0.00 179.25 179.35 2r47 h TYR 45 N 1.02 0.97 0.00 0.00 3.20 -0.99 -0.94 116.97 120.24 2r47 h TYR 45 Ca 0.27 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 2r47 h TYR 45 Cb -0.10 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.86 2r47 h TYR 45 CO -0.02 0.51 -0.03 0.00 -1.64 0.00 0.00 178.16 176.98 2r47 h ALA 46 N 1.39 1.71 -0.93 1.82 0.00 -1.02 -2.87 119.26 119.36 2r47 h ALA 46 Ca 0.36 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 2r47 h ALA 46 Cb 0.14 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.50 2r47 h ALA 46 CO -0.16 0.04 -0.84 1.33 0.00 0.00 0.00 179.25 179.62 2r47 n VAL 47 N -4.16 2.31 0.26 0.00 0.24 -0.50 -4.88 118.33 111.60 2r47 n VAL 47 Ca -0.03 -4.24 0.06 0.00 -2.04 0.00 0.00 64.34 58.09 2r47 n VAL 47 Cb 0.12 -0.88 0.27 0.00 -1.47 0.00 0.00 33.84 31.88 2r47 n VAL 47 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2r47 n ARG 48 N -0.62 0.05 0.25 7.34 1.85 -0.48 -0.31 116.66 124.75 2r47 n ARG 48 Ca 0.38 0.42 0.16 0.00 -1.00 0.00 0.00 57.85 57.81 2r47 n ARG 48 Cb 0.87 -1.62 0.66 0.00 -1.05 0.00 0.00 32.46 31.32 2r47 n ARG 48 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 2r47 h ASP 49 N 0.00 0.00 -2.86 2.89 2.03 -1.88 -3.45 116.42 113.14 2r47 h ASP 49 Ca 0.00 0.00 -0.44 0.00 -0.73 0.00 0.00 57.03 55.86 2r47 h ASP 49 Cb 0.14 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.70 2r47 h ASP 49 CO 0.00 0.00 0.03 -0.54 -1.03 0.00 0.00 179.24 177.70 2r47 s LYS 50 N -3.61 2.48 -0.55 4.15 1.02 0.58 -5.05 119.74 118.76 2r47 s LYS 50 Ca 0.02 -0.62 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 2r47 s LYS 50 Cb 0.09 -2.40 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 2r47 s LYS 50 CO 0.51 -0.83 0.80 0.34 -0.92 0.00 0.00 175.35 175.25 2r47 s ASP 51 N -4.44 6.25 0.05 2.83 2.15 -0.80 -5.00 116.67 117.71 2r47 s ASP 51 Ca 0.58 -0.76 0.08 0.00 0.43 0.00 0.00 52.55 52.87 2r47 s ASP 51 Cb -0.10 -2.36 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 2r47 s ASP 51 CO 0.40 -1.12 -0.21 0.20 -0.17 0.00 0.00 175.17 174.27 2r47 s ASN 52 N 2.97 3.59 0.09 -0.34 0.02 -1.26 -1.64 114.94 118.38 2r47 s ASN 52 Ca 0.21 -0.49 0.03 0.00 -1.02 0.00 0.00 52.86 51.59 2r47 s ASN 52 Cb -0.17 -0.50 -0.04 0.00 0.02 0.00 0.00 41.25 40.57 2r47 s ASN 52 CO 0.14 0.25 -0.09 0.27 0.02 0.00 0.00 177.10 177.70 2r47 s ILE 53 N -0.90 0.82 -0.16 0.60 -4.36 -0.26 -0.59 121.20 116.35 2r47 s ILE 53 Ca 0.14 -1.70 -0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2r47 s ILE 53 Cb -0.10 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 42.19 2r47 s ILE 53 CO 0.04 -0.66 -0.10 0.12 0.24 0.00 0.00 174.94 174.59 2r47 s PHE 54 N -2.77 2.88 -0.29 1.37 5.36 0.16 -0.96 117.98 123.73 2r47 s PHE 54 Ca 0.06 -0.71 -0.08 0.00 -0.96 0.00 0.00 56.93 55.24 2r47 s PHE 54 Cb -0.01 -1.93 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2r47 s PHE 54 CO -0.02 -0.30 0.11 0.42 -1.46 0.00 0.00 175.22 173.98 2r47 s ILE 55 N 0.69 4.36 -0.02 3.12 1.01 0.13 -1.67 121.20 128.82 2r47 s ILE 55 Ca -0.05 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 2r47 s ILE 55 Cb -0.15 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 2r47 s ILE 55 CO 0.02 0.15 1.10 -2.16 0.00 0.00 0.00 174.94 174.05 2r47 s PRO 56 N 1.59 4.44 5.27 2.79 0.04 -1.26 -2.12 135.00 145.75 2r47 s PRO 56 Ca 0.05 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2r47 s PRO 56 Cb -0.16 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.90 2r47 s PRO 56 CO 0.05 -0.26 0.00 0.09 0.04 0.00 0.00 177.00 176.91 2r47 n ASN 57 N 4.50 0.00 -1.02 6.66 3.02 0.18 -0.59 115.26 128.00 2r47 n ASN 57 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2r47 n ASN 57 Cb 0.48 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.86 2r47 n ASN 57 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2r47 n THR 58 N 0.00 2.44 -3.23 3.41 -2.24 -1.26 -4.11 114.28 109.30 2r47 n THR 58 Ca 0.00 -2.49 -0.46 0.00 -2.27 0.00 0.00 64.05 58.83 2r47 n THR 58 Cb 0.00 -0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 2r47 n THR 58 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2r47 s ASP 59 N -2.40 6.92 0.34 3.42 -1.08 0.24 -4.78 116.67 119.33 2r47 s ASP 59 Ca 0.43 -2.85 0.07 0.00 -0.52 0.00 0.00 52.55 49.68 2r47 s ASP 59 Cb 0.38 -2.26 0.77 0.00 -1.46 0.00 0.00 42.92 40.35 2r47 s ASP 59 CO 0.02 -0.60 1.86 0.15 0.52 0.00 0.00 175.17 177.13 2r47 h PHE 60 N 7.60 0.89 0.00 -5.34 3.57 -1.92 -1.48 116.94 120.25 2r47 h PHE 60 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2r47 h PHE 60 Cb 0.98 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2r47 h PHE 60 CO 0.99 0.33 -0.01 0.66 -2.23 0.00 0.00 178.31 178.05 2r47 h SER 61 N 0.75 0.00 -0.69 0.41 4.64 -1.95 -1.20 113.55 115.51 2r47 h SER 61 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2r47 h SER 61 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2r47 h SER 61 CO -0.22 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.04 2r47 n LYS 62 N -3.12 3.45 -1.79 4.77 5.02 -0.56 -4.78 118.16 121.16 2r47 n LYS 62 Ca -0.01 -2.84 -0.40 0.00 -2.02 0.00 0.00 58.31 53.04 2r47 n LYS 62 Cb 0.24 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.46 2r47 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r47 s ALA 63 N -1.59 3.27 0.03 7.82 0.00 -0.45 -4.63 121.76 126.20 2r47 s ALA 63 Ca 0.51 1.48 0.06 0.00 0.00 0.00 0.00 51.96 54.01 2r47 s ALA 63 Cb 0.31 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2r47 s ALA 63 CO 0.28 -1.19 -0.17 1.03 0.00 0.00 0.00 175.76 175.71 2r47 s ARG 64 N -2.42 1.17 0.41 0.00 0.52 -0.67 -0.26 118.95 117.69 2r47 s ARG 64 Ca 0.60 -0.78 -0.26 0.00 -0.52 0.00 0.00 55.73 54.78 2r47 s ARG 64 Cb -0.44 -1.20 -0.10 0.00 0.52 0.00 0.00 34.95 33.73 2r47 s ARG 64 CO 0.57 0.31 1.26 1.63 0.02 0.00 0.00 175.30 179.09 2r47 n LYS 65 N 2.05 1.93 -3.34 3.54 5.02 -0.25 -0.67 118.16 126.43 2r47 n LYS 65 Ca -0.17 0.68 -0.45 0.00 -2.02 0.00 0.00 58.31 56.36 2r47 n LYS 65 Cb 0.54 -2.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.11 2r47 n LYS 65 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2r47 s LEU 66 N -1.59 5.60 -0.06 -0.35 1.43 0.24 -0.01 118.68 123.94 2r47 s LEU 66 Ca 0.61 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2r47 s LEU 66 Cb -0.51 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 2r47 s LEU 66 CO 0.58 -0.71 -0.12 -1.83 0.23 0.00 0.00 176.35 174.51 2r47 s GLU 67 N 1.79 2.62 -0.01 1.70 -1.05 0.56 -4.54 118.70 119.77 2r47 s GLU 67 Ca 0.06 -0.64 -0.27 0.00 -0.15 0.00 0.00 54.97 53.96 2r47 s GLU 67 Cb -0.24 -2.46 -0.04 0.00 -0.44 0.00 0.00 34.13 30.95 2r47 s GLU 67 CO 0.07 0.62 0.87 0.08 0.95 0.00 0.00 175.26 177.86 2r47 s VAL 68 N -0.72 4.90 0.16 1.83 1.01 -1.26 -0.54 120.40 125.79 2r47 s VAL 68 Ca 0.11 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.92 2r47 s VAL 68 Cb -0.11 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 2r47 s VAL 68 CO 0.01 0.21 0.02 0.35 0.00 0.00 0.00 175.10 175.69 2r47 n THR 69 N 3.73 0.00 0.44 3.92 -2.24 0.18 -4.96 114.28 115.36 2r47 n THR 69 Ca 0.03 -0.83 0.07 0.00 -2.27 0.00 0.00 64.05 61.04 2r47 n THR 69 Cb 0.51 0.21 0.29 0.00 -2.10 0.00 0.00 70.33 69.25 2r47 n THR 69 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2r47 n GLU 70 N -0.40 0.01 0.00 -0.78 0.28 -1.26 -2.13 120.64 116.37 2r47 n GLU 70 Ca -0.05 0.29 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2r47 n GLU 70 Cb 0.22 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 2r47 n GLU 70 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2r47 n TYR 71 N -1.55 0.00 0.00 -1.84 4.01 -1.26 -5.09 117.16 111.43 2r47 n TYR 71 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2r47 n TYR 71 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2r47 n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r47 n GLY 72 N 1.47 0.21 3.74 2.72 0.00 -0.90 -5.01 105.19 107.41 2r47 n GLY 72 Ca 0.06 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 2r47 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r47 s VAL 73 N -0.64 5.33 0.18 1.61 1.01 -1.26 0.50 120.40 127.12 2r47 s VAL 73 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.50 2r47 s VAL 73 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 2r47 s VAL 73 CO 0.00 0.42 -0.12 -1.61 0.00 0.00 0.00 175.10 173.79 2r47 s GLU 74 N 0.34 1.19 0.02 2.72 2.02 0.30 -4.92 118.70 120.37 2r47 s GLU 74 Ca 0.15 -1.52 -0.30 0.00 0.02 0.00 0.00 54.97 53.32 2r47 s GLU 74 Cb -0.13 -0.84 -0.04 0.00 0.10 0.00 0.00 34.13 33.23 2r47 s GLU 74 CO 0.03 0.12 1.00 -0.51 0.02 0.00 0.00 175.26 175.91 2r47 s LEU 75 N -3.24 4.38 0.00 1.80 1.43 -1.26 -0.32 118.68 121.48 2r47 s LEU 75 Ca 0.20 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2r47 s LEU 75 Cb 0.01 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2r47 s LEU 75 CO 0.04 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.97 2r47 n GLY 76 N 2.86 2.77 3.82 -3.19 0.00 0.99 -4.91 105.19 107.52 2r47 n GLY 76 Ca 0.06 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2r47 n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2r47 s GLU 77 N 4.78 2.88 0.24 1.61 -1.05 -1.26 -4.39 118.70 121.51 2r47 s GLU 77 Ca 0.00 0.90 -0.31 0.00 -0.15 0.00 0.00 54.97 55.41 2r47 s GLU 77 Cb 0.00 -1.99 -0.13 0.00 -0.44 0.00 0.00 34.13 31.58 2r47 s GLU 77 CO 0.00 -1.13 1.56 -0.89 0.95 0.00 0.00 175.26 175.75 2r47 n ILE 78 N -3.14 0.63 -3.04 1.83 2.08 -1.26 -1.09 119.36 115.36 2r47 n ILE 78 Ca 0.07 -0.16 -0.11 0.00 0.56 0.00 0.00 62.75 63.11 2r47 n ILE 78 Cb 0.54 -1.74 -0.03 0.00 -0.75 0.00 0.00 39.64 37.66 2r47 n ILE 78 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2r47 s SER 79 N 0.63 -0.39 -1.12 4.38 0.15 0.64 -4.84 113.70 113.15 2r47 s SER 79 Ca 0.70 -2.00 -0.06 0.00 0.70 0.00 0.00 55.95 55.30 2r47 s SER 79 Cb -0.58 1.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.92 2r47 s SER 79 CO 0.44 -0.12 2.59 -0.81 1.20 0.00 0.00 173.24 176.54 2r47 n PRO 80 N 3.20 3.94 -3.42 5.44 -0.04 -1.26 -4.54 135.00 138.32 2r47 n PRO 80 Ca 0.20 -2.98 -0.38 0.00 -0.04 0.00 0.00 63.50 60.29 2r47 n PRO 80 Cb 0.53 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 2r47 n PRO 80 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2r47 s GLY 81 N 0.65 2.53 1.03 0.55 0.00 -1.26 -5.01 107.32 105.80 2r47 s GLY 81 Ca 0.57 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 45.03 2r47 s GLY 81 CO -0.11 0.30 1.08 0.54 0.00 0.00 0.00 173.10 174.92 2r47 s ASN 82 N -0.90 2.34 0.11 1.64 6.03 -1.26 -5.03 114.94 117.86 2r47 s ASN 82 Ca 0.25 1.21 0.04 0.00 -1.03 0.00 0.00 52.86 53.33 2r47 s ASN 82 Cb -0.17 -1.89 -0.04 0.00 -3.03 0.00 0.00 41.25 36.11 2r47 s ASN 82 CO 0.15 -3.31 -0.10 0.68 -2.03 0.00 0.00 177.10 172.49 2r47 s VAL 83 N -2.90 1.00 -0.84 3.54 -7.23 -0.38 -4.89 120.40 108.69 2r47 s VAL 83 Ca 0.66 -1.82 0.23 0.00 -1.81 0.00 0.00 61.98 59.24 2r47 s VAL 83 Cb -0.19 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 35.07 2r47 s VAL 83 CO 0.59 -0.66 1.11 -0.90 -0.31 0.00 0.00 175.10 174.93 2r47 n ASP 84 N 0.24 0.68 -3.86 4.85 5.75 -0.28 -0.91 116.55 123.02 2r47 n ASP 84 Ca -0.14 -0.45 -0.23 0.00 -0.01 0.00 0.00 54.79 53.96 2r47 n ASP 84 Cb 0.59 0.69 -0.17 0.00 -1.03 0.00 0.00 41.12 41.20 2r47 n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2r47 s VAL 85 N -3.08 0.64 -0.20 2.12 1.01 -1.07 -1.29 120.40 118.54 2r47 s VAL 85 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 2r47 s VAL 85 Cb 0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 2r47 s VAL 85 CO 0.79 0.28 -0.00 -0.22 0.00 0.00 0.00 175.10 175.95 2r47 s LEU 86 N 1.49 3.22 -0.32 3.92 2.96 -0.54 -1.09 118.68 128.31 2r47 s LEU 86 Ca -0.01 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2r47 s LEU 86 Cb -0.13 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.77 2r47 s LEU 86 CO -0.04 0.05 0.08 -0.69 -1.32 0.00 0.00 176.35 174.43 2r47 s VAL 87 N 1.08 3.67 0.03 1.68 1.01 0.14 -0.80 120.40 127.21 2r47 s VAL 87 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 2r47 s VAL 87 Cb -0.14 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2r47 s VAL 87 CO 0.01 -0.10 0.77 -0.76 0.00 0.00 0.00 175.10 175.03 2r47 s LEU 88 N 1.40 4.43 0.13 3.92 1.43 0.43 -0.91 118.68 129.51 2r47 s LEU 88 Ca -0.01 1.43 -0.07 0.00 -1.03 0.00 0.00 54.13 54.45 2r47 s LEU 88 Cb -0.19 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 2r47 s LEU 88 CO 0.02 -0.02 0.40 -0.76 0.23 0.00 0.00 176.35 176.22 2r47 s LEU 89 N 0.13 4.29 0.51 1.79 1.43 0.17 -1.30 118.68 125.70 2r47 s LEU 89 Ca 0.39 0.70 0.17 0.00 -1.03 0.00 0.00 54.13 54.36 2r47 s LEU 89 Cb -0.20 -3.22 1.26 0.00 0.03 0.00 0.00 46.19 44.06 2r47 s LEU 89 CO 0.23 0.09 2.13 1.23 0.23 0.00 0.00 176.35 180.25 2r47 h GLY 90 N 3.14 0.03 1.29 -3.19 0.00 -1.80 -1.70 103.07 100.85 2r47 h GLY 90 Ca -0.47 -0.01 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2r47 h GLY 90 CO 0.70 0.01 0.26 -1.33 0.00 0.00 0.00 176.54 176.18 2r47 h GLY 91 N 0.03 0.00 1.91 4.60 0.00 -1.94 -0.61 103.07 107.07 2r47 h GLY 91 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2r47 h GLY 91 CO -0.00 0.00 0.04 1.41 0.00 0.00 0.00 176.54 177.98 2r47 h LEU 92 N 0.00 0.00 -1.09 3.11 3.38 -1.64 -1.69 115.31 117.39 2r47 h LEU 92 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2r47 h LEU 92 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2r47 h LEU 92 CO -0.00 0.00 -0.03 -1.54 0.09 0.00 0.00 178.44 176.95 2r47 n SER 93 N -3.71 1.73 -4.74 -0.43 3.41 -0.23 -1.04 113.62 108.61 2r47 n SER 93 Ca -0.02 -1.53 -0.41 0.00 -0.26 0.00 0.00 58.87 56.65 2r47 n SER 93 Cb 0.12 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 2r47 n SER 93 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2r47 s MET 94 N -2.06 4.71 0.34 4.33 -1.94 -0.63 -4.89 119.30 119.16 2r47 s MET 94 Ca 0.35 1.54 -0.29 0.00 -1.71 0.00 0.00 55.69 55.58 2r47 s MET 94 Cb 0.21 -3.32 -0.11 0.00 2.01 0.00 0.00 34.83 33.62 2r47 s MET 94 CO 0.35 0.26 1.38 -2.14 -0.01 0.00 0.00 175.02 174.87 2r47 s PRO 95 N -0.48 4.26 0.00 2.03 0.02 -1.26 -0.54 135.00 139.03 2r47 s PRO 95 Ca 0.46 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.83 2r47 s PRO 95 Cb -0.26 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.23 2r47 s PRO 95 CO 0.32 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 2r47 n GLY 96 N 0.78 1.02 0.00 0.52 0.00 -1.26 -4.54 105.19 101.71 2r47 n GLY 96 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2r47 n GLY 96 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r47 n ILE 97 N -0.54 0.00 -0.43 -0.61 -0.00 -1.25 -5.06 119.36 111.47 2r47 n ILE 97 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.46 2r47 n ILE 97 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 39.64 39.91 2r47 n ILE 97 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 2r47 s GLY 98 N -1.17 1.48 0.17 7.39 0.00 0.30 -4.92 107.32 110.57 2r47 s GLY 98 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.34 2r47 s GLY 98 CO 0.00 0.42 0.09 -0.56 0.00 0.00 0.00 173.10 173.05 2r47 s SER 99 N -2.75 5.25 0.66 1.64 0.01 -0.20 -4.89 113.70 113.43 2r47 s SER 99 Ca 0.69 -0.24 -0.15 0.00 1.31 0.00 0.00 55.95 57.56 2r47 s SER 99 Cb -0.20 -1.29 -0.00 0.00 0.21 0.00 0.00 66.02 64.74 2r47 s SER 99 CO 0.62 0.07 1.10 1.51 0.41 0.00 0.00 173.24 176.95 2r47 s ASP 100 N -3.11 5.19 0.38 2.44 1.47 -1.26 -4.82 116.67 116.96 2r47 s ASP 100 Ca 0.30 1.95 0.15 0.00 1.18 0.00 0.00 52.55 56.13 2r47 s ASP 100 Cb -0.10 -2.54 0.77 0.00 -0.34 0.00 0.00 42.92 40.71 2r47 s ASP 100 CO 0.22 -1.57 1.82 -0.29 0.68 0.00 0.00 175.17 176.03 2r47 h ILE 101 N 0.01 1.14 -0.52 2.11 6.09 -1.98 -0.75 117.51 123.62 2r47 h ILE 101 Ca -0.46 -1.30 -0.10 0.00 -1.37 0.00 0.00 64.86 61.63 2r47 h ILE 101 Cb 1.24 1.72 -0.02 0.00 0.47 0.00 0.00 36.82 40.23 2r47 h ILE 101 CO 0.55 0.36 -0.07 -0.08 -3.07 0.00 0.00 178.15 175.83 2r47 h GLU 102 N 0.00 0.93 -0.77 2.19 4.57 -1.99 0.12 114.58 119.63 2r47 h GLU 102 Ca -0.00 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.83 2r47 h GLU 102 Cb 0.69 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2r47 h GLU 102 CO 0.05 0.96 0.34 -0.44 -1.18 0.00 0.00 179.01 178.73 2r47 h ASP 103 N 0.84 1.04 -0.49 1.04 3.32 -1.54 -1.13 116.42 119.50 2r47 h ASP 103 Ca 0.14 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2r47 h ASP 103 Cb 0.59 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2r47 h ASP 103 CO 0.04 0.90 -0.02 0.58 -1.72 0.00 0.00 179.24 179.02 2r47 h VAL 104 N 1.10 1.27 -0.80 -1.35 2.07 -0.95 -1.20 116.25 116.38 2r47 h VAL 104 Ca 0.26 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 2r47 h VAL 104 Cb 0.17 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2r47 h VAL 104 CO -0.03 0.39 0.33 0.11 0.02 0.00 0.00 177.57 178.40 2r47 h LYS 105 N 0.75 1.18 -0.74 1.57 1.57 -0.60 -0.77 116.57 119.54 2r47 h LYS 105 Ca 0.14 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2r47 h LYS 105 Cb 0.55 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2r47 h LYS 105 CO 0.03 0.95 0.26 -0.22 -0.57 0.00 0.00 179.45 179.89 2r47 h LYS 106 N 1.16 1.13 -0.50 3.15 3.64 -1.09 -0.79 116.57 123.26 2r47 h LYS 106 Ca 0.27 -0.23 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2r47 h LYS 106 Cb 0.20 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 2r47 h LYS 106 CO -0.02 0.95 0.26 1.25 -2.27 0.00 0.00 179.45 179.61 2r47 h LEU 107 N 1.08 0.38 -0.82 5.20 5.85 -0.80 0.69 115.31 126.89 2r47 h LEU 107 Ca 0.24 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 2r47 h LEU 107 Cb 0.27 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2r47 h LEU 107 CO -0.01 0.27 0.40 0.58 -0.34 0.00 0.00 178.44 179.33 2r47 h VAL 108 N 0.51 1.25 -0.43 1.05 2.07 -0.73 0.18 116.25 120.15 2r47 h VAL 108 Ca 0.22 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2r47 h VAL 108 Cb 0.11 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 2r47 h VAL 108 CO -0.14 0.30 0.13 -0.08 0.02 0.00 0.00 177.57 177.80 2r47 h GLU 109 N 1.15 0.66 -0.02 1.57 4.57 -0.72 -1.80 114.58 119.99 2r47 h GLU 109 Ca 0.28 -0.14 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 2r47 h GLU 109 Cb 0.11 -0.10 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2r47 h GLU 109 CO -0.04 0.65 -0.39 -0.44 -1.18 0.00 0.00 179.01 177.61 2r47 h ASP 110 N 0.55 0.38 0.29 1.04 3.32 -0.66 -3.40 116.42 117.93 2r47 h ASP 110 Ca 0.14 -0.73 -0.31 0.00 0.02 0.00 0.00 57.03 56.14 2r47 h ASP 110 Cb 0.26 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 2r47 h ASP 110 CO -0.00 1.06 -1.98 0.00 -1.72 0.00 0.00 179.24 176.59 2r47 n ALA 111 N -2.55 1.54 -2.63 3.45 0.00 0.61 -4.79 120.51 116.13 2r47 n ALA 111 Ca -0.10 -0.99 -0.41 0.00 0.00 0.00 0.00 53.44 51.95 2r47 n ALA 111 Cb 0.56 -0.58 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 2r47 n ALA 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2r47 s LEU 112 N -5.80 4.07 0.40 0.00 2.96 -0.68 -1.24 118.68 118.39 2r47 s LEU 112 Ca -0.07 0.77 -0.23 0.00 -0.22 0.00 0.00 54.13 54.38 2r47 s LEU 112 Cb 0.07 -2.91 -0.13 0.00 0.50 0.00 0.00 46.19 43.72 2r47 s LEU 112 CO 0.83 -0.39 0.61 -0.62 -1.32 0.00 0.00 176.35 175.46 2r47 n GLU 113 N 5.72 0.65 -1.66 1.98 1.02 -0.09 -4.81 120.64 123.44 2r47 n GLU 113 Ca 0.00 0.23 -0.45 0.00 -0.02 0.00 0.00 57.16 56.93 2r47 n GLU 113 Cb 0.49 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2r47 n GLU 113 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r47 n GLU 114 N 0.59 1.98 -0.78 3.49 4.07 -1.26 -1.26 120.64 127.48 2r47 n GLU 114 Ca 0.12 0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.92 2r47 n GLU 114 Cb 0.38 -2.37 0.00 0.00 -0.06 0.00 0.00 31.44 29.39 2r47 n GLU 114 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2r47 n GLY 115 N 2.28 1.09 3.66 8.31 0.00 -1.26 -5.04 105.19 114.23 2r47 n GLY 115 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2r47 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r47 n GLY 116 N -2.00 -1.84 3.60 -0.02 0.00 -0.38 -5.06 105.19 99.48 2r47 n GLY 116 Ca 0.00 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 2r47 n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2r47 s GLU 117 N -5.72 3.11 -0.23 1.61 2.56 -0.41 -5.01 118.70 114.61 2r47 s GLU 117 Ca 0.72 -0.48 -0.08 0.00 0.00 0.00 0.00 54.97 55.13 2r47 s GLU 117 Cb -0.03 -2.77 -0.03 0.00 2.00 0.00 0.00 34.13 33.30 2r47 s GLU 117 CO 0.52 0.55 0.08 -1.17 -0.56 0.00 0.00 175.26 174.69 2r47 s LEU 118 N -0.49 3.61 0.19 2.70 2.96 -1.26 -1.47 118.68 124.92 2r47 s LEU 118 Ca 0.08 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.99 2r47 s LEU 118 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2r47 s LEU 118 CO 0.02 0.02 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.82 2r47 s MET 119 N 1.27 1.44 -0.03 1.98 -1.94 0.02 -0.09 119.30 121.95 2r47 s MET 119 Ca 0.05 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 52.59 2r47 s MET 119 Cb -0.15 -1.65 -0.01 0.00 2.01 0.00 0.00 34.83 35.03 2r47 s MET 119 CO 0.04 0.35 -0.22 0.20 -0.01 0.00 0.00 175.02 175.38 2r47 s GLY 120 N -2.72 1.12 -0.17 -0.03 0.00 -0.56 -0.43 107.32 104.53 2r47 s GLY 120 Ca 0.19 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2r47 s GLY 120 CO 0.09 -0.66 -0.10 -2.27 0.00 0.00 0.00 173.10 170.16 2r47 s LEU 121 N -0.30 1.88 0.26 0.66 2.96 -0.42 -0.29 118.68 123.43 2r47 s LEU 121 Ca 0.02 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2r47 s LEU 121 Cb -0.11 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 2r47 s LEU 121 CO 0.01 -0.13 0.33 0.00 -1.32 0.00 0.00 176.35 175.24 2r47 s TYR 123 N -3.81 2.38 -1.96 0.00 2.02 -1.26 -1.29 117.35 113.42 2r47 s TYR 123 Ca 0.32 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2r47 s TYR 123 Cb 0.02 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2r47 s TYR 123 CO 0.14 0.42 0.00 -1.33 -1.57 0.00 0.00 175.55 173.22 2r47 n MET 124 N 0.57 -1.59 -2.90 -0.62 2.81 -0.23 -2.28 117.12 112.87 2r47 n MET 124 Ca -0.15 1.10 -0.17 0.00 -1.81 0.00 0.00 57.70 56.67 2r47 n MET 124 Cb 0.54 -5.66 0.03 0.00 -0.71 0.00 0.00 33.22 27.42 2r47 n MET 124 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2r47 n ASP 125 N -1.77 -5.15 -0.18 7.83 2.03 -1.26 -4.92 116.55 113.13 2r47 n ASP 125 Ca -0.23 -0.24 -0.02 0.00 0.52 0.00 0.00 54.79 54.81 2r47 n ASP 125 Cb 0.69 -3.97 0.08 0.00 -0.72 0.00 0.00 41.12 37.20 2r47 n ASP 125 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2r47 h MET 126 N -1.20 0.43 -0.17 -0.67 2.86 -1.82 -1.96 114.93 112.40 2r47 h MET 126 Ca -0.42 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.17 2r47 h MET 126 Cb 1.28 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2r47 h MET 126 CO 0.44 0.28 0.01 0.74 1.06 0.00 0.00 176.91 179.44 2r47 h PHE 127 N 0.44 0.31 -0.58 -0.22 0.04 -1.89 -1.09 116.94 113.95 2r47 h PHE 127 Ca 0.27 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2r47 h PHE 127 Cb 0.27 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 2r47 h PHE 127 CO -0.14 0.48 0.37 0.00 -0.60 0.00 0.00 178.31 178.42 2r47 h ALA 128 N 0.79 0.73 -0.13 2.45 0.00 -1.92 -0.53 119.26 120.65 2r47 h ALA 128 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2r47 h ALA 128 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2r47 h ALA 128 CO 0.01 0.19 -0.15 0.00 0.00 0.00 0.00 179.25 179.30 2r47 h ARG 129 N 0.78 0.21 -0.00 0.00 3.08 -1.16 -1.65 114.38 115.64 2r47 h ARG 129 Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2r47 h ARG 129 Cb -0.06 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2r47 h ARG 129 CO -0.04 0.37 -0.03 0.00 -1.07 0.00 0.00 179.97 179.20 2r47 n ALA 130 N -2.49 2.57 -0.60 0.04 0.00 -0.43 -4.90 120.51 114.70 2r47 n ALA 130 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2r47 n ALA 130 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2r47 n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r47 n GLY 131 N 1.28 0.72 0.15 0.00 0.00 -0.62 -4.97 105.19 101.75 2r47 n GLY 131 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2r47 n GLY 131 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2r47 h TRP 132 N 0.00 0.00 0.00 1.61 4.06 -1.29 -2.01 115.95 118.32 2r47 h TRP 132 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 2r47 h TRP 132 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 2r47 h TRP 132 CO 0.00 0.00 -0.35 1.88 -3.56 0.00 0.00 178.44 176.41 2r47 h TYR 133 N 0.00 0.00 0.07 0.49 -1.99 -1.82 0.59 116.97 114.30 2r47 h TYR 133 Ca 0.00 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.46 2r47 h TYR 133 Cb 0.55 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 2r47 h TYR 133 CO 0.00 0.35 -1.34 0.93 -0.00 0.00 0.00 178.16 178.09 2r47 h GLU 134 N 0.00 0.14 0.00 4.88 5.08 -1.66 0.05 114.58 123.08 2r47 h GLU 134 Ca -0.00 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 57.97 2r47 h GLU 134 Cb 0.67 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2r47 h GLU 134 CO 0.04 1.01 -1.02 -0.07 -1.00 0.00 0.00 179.01 177.97 2r47 h LEU 135 N 0.04 0.00 -8.93 1.33 3.38 -1.20 -3.43 115.31 106.49 2r47 h LEU 135 Ca -0.16 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.33 2r47 h LEU 135 Cb 1.93 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.54 2r47 h LEU 135 CO 0.15 0.55 -0.74 -0.76 0.09 0.00 0.00 178.44 177.72 2r47 s LEU 136 N -6.08 2.55 -1.03 1.67 1.43 0.18 -5.02 118.68 112.38 2r47 s LEU 136 Ca 0.00 -1.00 -0.05 0.00 -1.03 0.00 0.00 54.13 52.05 2r47 s LEU 136 Cb 0.08 -0.76 0.27 0.00 0.03 0.00 0.00 46.19 45.82 2r47 s LEU 136 CO 0.78 -0.12 1.08 -0.67 0.23 0.00 0.00 176.35 177.66 2r47 n ASP 137 N -0.34 5.26 -4.77 2.29 2.03 -1.26 -1.43 116.55 118.33 2r47 n ASP 137 Ca -0.08 -3.17 -0.40 0.00 0.52 0.00 0.00 54.79 51.66 2r47 n ASP 137 Cb 0.60 -1.23 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 2r47 n ASP 137 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2r47 s PHE 138 N -1.70 3.19 0.02 -0.67 0.08 -1.26 -4.77 117.98 112.87 2r47 s PHE 138 Ca 0.31 1.52 -0.05 0.00 0.12 0.00 0.00 56.93 58.83 2r47 s PHE 138 Cb -0.05 -3.51 -0.29 0.00 -0.57 0.00 0.00 43.02 38.61 2r47 s PHE 138 CO -0.05 -1.39 0.93 -0.44 -0.10 0.00 0.00 175.22 174.17 2r47 h ASP 139 N 3.30 0.46 -3.80 1.36 3.32 -0.89 -3.44 116.42 116.73 2r47 h ASP 139 Ca -0.48 -0.58 -0.12 0.00 0.02 0.00 0.00 57.03 55.87 2r47 h ASP 139 Cb 1.23 -0.15 -0.24 0.00 0.22 0.00 0.00 39.33 40.38 2r47 h ASP 139 CO 0.65 1.47 -0.22 0.00 -1.72 0.00 0.00 179.24 179.42 2r47 s VAL 141 N 0.38 1.16 -0.20 0.00 1.01 -1.26 -1.50 120.40 120.00 2r47 s VAL 141 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2r47 s VAL 141 Cb -0.04 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.37 2r47 s VAL 141 CO -0.01 0.33 -0.14 -0.63 0.00 0.00 0.00 175.10 174.65 2r47 s ILE 142 N -0.21 2.57 -0.07 2.22 1.01 0.61 -4.95 121.20 122.38 2r47 s ILE 142 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2r47 s ILE 142 Cb -0.07 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2r47 s ILE 142 CO 0.00 0.49 -0.24 0.21 0.00 0.00 0.00 174.94 175.40 2r47 s ASN 143 N 1.36 3.10 0.06 3.58 2.47 -1.26 -1.36 114.94 122.89 2r47 s ASN 143 Ca 0.05 -0.53 0.07 0.00 0.42 0.00 0.00 52.86 52.88 2r47 s ASN 143 Cb -0.13 -1.06 -0.03 0.00 -1.45 0.00 0.00 41.25 38.57 2r47 s ASN 143 CO -0.09 0.21 -0.21 0.00 -3.72 0.00 0.00 177.10 173.29 2r47 s ALA 144 N 0.03 1.76 0.04 1.71 0.00 -0.41 -4.97 121.76 119.92 2r47 s ALA 144 Ca -0.09 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.81 2r47 s ALA 144 Cb -0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2r47 s ALA 144 CO 0.06 0.38 -0.02 -0.51 0.00 0.00 0.00 175.76 175.68 2r47 s ASP 145 N -1.34 4.95 -0.09 0.00 1.01 -1.26 -1.06 116.67 118.88 2r47 s ASP 145 Ca 0.07 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.24 2r47 s ASP 145 Cb -0.09 -1.20 -0.01 0.00 1.01 0.00 0.00 42.92 42.63 2r47 s ASP 145 CO 0.02 0.23 -0.22 -0.63 0.21 0.00 0.00 175.17 174.78 2r47 s ILE 146 N -1.18 2.23 0.10 0.77 -1.09 -1.26 -5.00 121.20 115.77 2r47 s ILE 146 Ca 0.22 -0.97 -0.09 0.00 -2.23 0.00 0.00 60.65 57.57 2r47 s ILE 146 Cb -0.11 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 2r47 s ILE 146 CO 0.13 0.56 0.22 1.51 -1.23 0.00 0.00 174.94 176.13 2r47 s ASP 147 N 0.20 0.08 0.00 3.58 1.47 -1.26 -5.09 116.67 115.65 2r47 s ASP 147 Ca -0.14 -0.64 0.00 0.00 1.18 0.00 0.00 52.55 52.95 2r47 s ASP 147 Cb -0.17 0.36 0.00 0.00 -0.34 0.00 0.00 42.92 42.78 2r47 s ASP 147 CO 0.07 -0.76 0.00 0.61 0.68 0.00 0.00 175.17 175.77 2r47 n GLY 148 N -0.09 1.65 3.19 2.12 0.00 -1.26 -5.17 105.19 105.63 2r47 n GLY 148 Ca -0.14 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2r47 n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r47 s TYR 149 N -4.00 0.24 -0.09 1.61 1.13 -1.26 -5.15 117.35 109.83 2r47 s TYR 149 Ca 0.00 -0.68 0.01 0.00 -1.41 0.00 0.00 57.07 54.99 2r47 s TYR 149 Cb 0.00 -0.12 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 2r47 s TYR 149 CO 0.00 -0.52 -0.10 0.08 -2.51 0.00 0.00 175.55 172.50 2r47 s VAL 150 N -3.88 3.40 0.13 -3.49 1.01 -1.26 -5.13 120.40 111.19 2r47 s VAL 150 Ca 0.06 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2r47 s VAL 150 Cb 0.05 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2r47 s VAL 150 CO -0.10 0.57 -0.19 -0.76 0.00 0.00 0.00 175.10 174.62 2r47 s LEU 151 N -0.40 2.37 0.05 3.92 1.02 -1.26 -5.16 118.68 119.22 2r47 s LEU 151 Ca 0.05 -0.77 0.08 0.00 0.02 0.00 0.00 54.13 53.51 2r47 s LEU 151 Cb -0.12 -0.81 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 2r47 s LEU 151 CO 0.02 -0.01 -0.21 -0.13 0.02 0.00 0.00 176.35 176.04 2r47 s ARG 152 N -2.35 1.38 0.00 1.70 0.52 -1.26 -5.37 118.95 113.57 2r47 s ARG 152 Ca 0.10 -1.00 0.27 0.00 -0.52 0.00 0.00 55.73 54.59 2r47 s ARG 152 Cb -0.08 -1.54 0.93 0.00 0.52 0.00 0.00 34.95 34.78 2r47 s ARG 152 CO 0.05 0.39 1.68 0.41 0.02 0.00 0.00 175.30 177.84