#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r47 n HIS 0 N 0.00 1.94 -4.34 1.61 -0.00 -1.26 -4.70 115.22 108.47 2r47 n HIS 0 Ca 0.00 0.47 -0.34 0.00 -0.00 0.00 0.00 57.72 57.85 2r47 n HIS 0 Cb 0.00 -2.43 -0.13 0.00 -0.00 0.00 0.00 29.99 27.44 2r47 n HIS 0 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2r47 s MET 1 N -0.04 3.58 -0.16 1.57 1.00 -1.26 -5.06 119.30 118.93 2r47 s MET 1 Ca 0.73 -0.56 -0.05 0.00 0.00 0.00 0.00 55.69 55.81 2r47 s MET 1 Cb -0.73 -2.91 -0.03 0.00 0.00 0.00 0.00 34.83 31.16 2r47 s MET 1 CO 0.47 0.14 -0.00 -2.00 0.00 0.00 0.00 175.02 173.63 2r47 s GLU 2 N 0.62 3.72 0.07 2.03 2.56 -1.26 -5.08 118.70 121.36 2r47 s GLU 2 Ca -0.03 -0.46 -0.31 0.00 0.00 0.00 0.00 54.97 54.18 2r47 s GLU 2 Cb -0.15 -3.00 -0.07 0.00 2.00 0.00 0.00 34.13 32.91 2r47 s GLU 2 CO 0.02 0.29 1.48 0.21 -0.56 0.00 0.00 175.26 176.70 2r47 s LYS 3 N 0.27 4.26 -0.18 4.30 2.20 -1.26 -4.92 119.74 124.42 2r47 s LYS 3 Ca -0.01 2.13 -0.18 0.00 -0.36 0.00 0.00 55.97 57.56 2r47 s LYS 3 Cb -0.13 -3.44 -0.14 0.00 -1.51 0.00 0.00 37.83 32.60 2r47 s LYS 3 CO 0.02 -0.58 0.15 1.25 -0.36 0.00 0.00 175.35 175.83 2r47 h LEU 4 N 7.79 0.00 -7.14 5.43 5.85 -1.97 -3.50 115.31 121.76 2r47 h LEU 4 Ca -0.41 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.02 2r47 h LEU 4 Cb 1.20 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.10 2r47 h LEU 4 CO 0.90 1.17 0.42 -1.59 -0.34 0.00 0.00 178.44 179.00 2r47 s LYS 5 N -2.26 1.01 0.25 1.25 -2.85 -1.26 -5.17 119.74 110.70 2r47 s LYS 5 Ca -0.22 -0.42 0.06 0.00 -1.00 0.00 0.00 55.97 54.39 2r47 s LYS 5 Cb 0.03 0.44 -0.03 0.00 -2.06 0.00 0.00 37.83 36.21 2r47 s LYS 5 CO 0.46 -0.45 0.26 -1.21 0.10 0.00 0.00 175.35 174.51 2r47 s GLU 6 N -3.31 3.13 0.08 1.78 2.02 -1.26 -5.11 118.70 116.03 2r47 s GLU 6 Ca 0.06 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 54.05 2r47 s GLU 6 Cb -0.01 -2.69 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 2r47 s GLU 6 CO -0.07 0.41 0.11 -0.59 0.02 0.00 0.00 175.26 175.14 2r47 s PHE 7 N -2.07 0.33 -0.03 1.61 -0.12 -1.26 -5.15 117.98 111.29 2r47 s PHE 7 Ca 0.33 -0.80 0.01 0.00 -0.05 0.00 0.00 56.93 56.43 2r47 s PHE 7 Cb -0.08 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2r47 s PHE 7 CO 0.27 -0.49 -0.03 0.50 -0.05 0.00 0.00 175.22 175.42 2r47 s ARG 8 N -3.90 0.57 0.00 1.99 3.52 -1.26 -5.00 118.95 114.87 2r47 s ARG 8 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2r47 s ARG 8 Cb 0.06 -0.64 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 2r47 s ARG 8 CO -0.10 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2r47 n GLY 9 N 3.94 -0.28 0.21 8.12 0.00 -1.26 -4.20 105.19 111.72 2r47 n GLY 9 Ca -0.25 -1.72 -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 1.24 -0.39 -0.61 1.08 -1.99 -1.51 117.51 115.32 2r47 h ILE 10 Ca 0.00 -0.84 0.05 0.00 -0.39 0.00 0.00 64.86 63.68 2r47 h ILE 10 Cb 0.00 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 2r47 h ILE 10 CO 0.00 0.29 0.13 0.11 -0.69 0.00 0.00 178.15 177.99 2r47 h LYS 11 N 0.54 0.28 -0.35 2.37 1.57 -2.00 -0.95 116.57 118.03 2r47 h LYS 11 Ca 0.13 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.77 2r47 h LYS 11 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2r47 h LYS 11 CO 0.01 0.18 -0.28 0.93 -0.57 0.00 0.00 179.45 179.72 2r47 h GLU 12 N 0.29 0.74 -0.16 3.15 5.08 -1.71 -0.60 114.58 121.36 2r47 h GLU 12 Ca 0.18 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2r47 h GLU 12 Cb 0.17 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2r47 h GLU 12 CO -0.19 0.93 -0.06 1.25 -1.00 0.00 0.00 179.01 179.94 2r47 h HIS 13 N 0.63 -0.13 -0.72 4.33 2.76 -0.94 0.88 115.15 121.96 2r47 h HIS 13 Ca 0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2r47 h HIS 13 Cb 0.80 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2r47 h HIS 13 CO 0.04 -0.09 0.30 -0.07 -1.30 0.00 0.00 177.93 176.81 2r47 h LEU 14 N -0.03 0.98 -0.32 0.26 3.38 -1.10 -3.00 115.31 115.48 2r47 h LEU 14 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2r47 h LEU 14 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2r47 h LEU 14 CO -0.18 0.87 0.21 1.23 0.09 0.00 0.00 178.44 180.66 2r47 h GLY 15 N 1.02 0.45 2.00 0.83 0.00 -0.67 -0.91 103.07 105.80 2r47 h GLY 15 Ca 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2r47 h GLY 15 CO -0.02 0.17 -0.13 -0.39 0.00 0.00 0.00 176.54 176.16 2r47 h VAL 16 N 0.43 1.07 -0.23 4.60 -1.51 -0.82 -1.55 116.25 118.24 2r47 h VAL 16 Ca 0.12 -0.45 -0.08 0.00 -1.23 0.00 0.00 66.70 65.06 2r47 h VAL 16 Cb -0.04 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2r47 h VAL 16 CO -0.02 0.13 -0.17 0.15 -1.23 0.00 0.00 177.57 176.42 2r47 h PHE 17 N 0.00 0.62 -0.58 5.19 3.57 -1.27 -1.52 116.94 122.94 2r47 h PHE 17 Ca -0.00 -0.17 0.09 0.00 3.53 0.00 0.00 57.97 61.41 2r47 h PHE 17 Cb 0.23 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 2r47 h PHE 17 CO 0.00 0.83 0.21 0.00 -2.23 0.00 0.00 178.31 177.12 2r47 h ARG 18 N 0.23 0.37 -0.45 1.11 3.08 -0.68 -0.40 114.38 117.65 2r47 h ARG 18 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2r47 h ARG 18 Cb 0.70 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2r47 h ARG 18 CO 0.05 0.25 0.24 0.93 -1.07 0.00 0.00 179.97 180.36 2r47 h GLU 19 N 0.39 0.62 -0.83 0.04 5.08 -1.27 -1.98 114.58 116.62 2r47 h GLU 19 Ca 0.29 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2r47 h GLU 19 Cb 0.34 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2r47 h GLU 19 CO -0.29 0.50 0.52 0.00 -1.00 0.00 0.00 179.01 178.74 2r47 h ALA 20 N 1.09 1.12 -0.52 3.43 0.00 -0.43 -3.02 119.26 120.92 2r47 h ALA 20 Ca 0.16 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2r47 h ALA 20 Cb 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2r47 h ALA 20 CO -0.02 0.31 0.08 1.33 0.00 0.00 0.00 179.25 180.94 2r47 n VAL 21 N -4.60 2.67 0.11 0.00 0.24 -0.24 -4.63 118.33 111.89 2r47 n VAL 21 Ca 0.11 -1.71 0.05 0.00 -2.04 0.00 0.00 64.34 60.75 2r47 n VAL 21 Cb 0.13 -0.30 0.50 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 2.75 0.30 -0.21 7.34 2.10 -1.23 -1.32 116.57 126.30 2r47 h LYS 22 Ca 0.10 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2r47 h LYS 22 Cb 1.92 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.18 2r47 h LYS 22 CO 0.48 0.23 0.00 -0.25 -2.00 0.00 0.00 179.45 177.92 2r47 n ASP 23 N -4.47 2.86 -4.79 7.07 8.00 -1.26 -4.97 116.55 119.00 2r47 n ASP 23 Ca 0.00 -1.91 -0.32 0.00 0.71 0.00 0.00 54.79 53.28 2r47 n ASP 23 Cb 0.10 -0.13 0.06 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.74 2.46 -0.01 2.24 0.00 -0.50 -5.02 121.76 119.19 2r47 s ALA 24 Ca 0.34 0.28 -0.00 0.00 0.00 0.00 0.00 51.96 52.58 2r47 s ALA 24 Cb 0.21 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2r47 s ALA 24 CO 0.31 -1.43 -0.01 -0.85 0.00 0.00 0.00 175.76 173.77 2r47 n GLU 25 N -3.05 0.04 -4.21 0.00 0.28 -1.26 -5.00 120.64 107.43 2r47 n GLU 25 Ca 0.09 0.01 -0.26 0.00 -0.16 0.00 0.00 57.16 56.84 2r47 n GLU 25 Cb 0.53 -0.90 -0.17 0.00 1.43 0.00 0.00 31.44 32.33 2r47 n GLU 25 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2r47 s ARG 26 N -2.03 1.69 -0.07 3.44 3.52 -1.26 -0.52 118.95 123.72 2r47 s ARG 26 Ca -0.02 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.26 2r47 s ARG 26 Cb 0.01 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.83 2r47 s ARG 26 CO 0.03 -0.14 -0.18 0.42 -0.81 0.00 0.00 175.30 174.62 2r47 s ILE 27 N 1.25 1.59 -0.16 4.11 1.01 -0.46 -1.41 121.20 127.13 2r47 s ILE 27 Ca -0.03 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 2r47 s ILE 27 Cb -0.14 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 2r47 s ILE 27 CO -0.03 0.45 -0.01 -0.83 0.00 0.00 0.00 174.94 174.52 2r47 s GLY 28 N 0.37 1.77 -0.27 6.18 0.00 -0.69 -0.39 107.32 114.30 2r47 s GLY 28 Ca -0.13 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 2r47 s GLY 28 CO 0.05 -0.06 0.12 -1.36 0.00 0.00 0.00 173.10 171.85 2r47 s PHE 29 N 0.29 3.14 -0.22 1.90 0.08 0.91 -0.50 117.98 123.58 2r47 s PHE 29 Ca -0.01 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 2r47 s PHE 29 Cb -0.14 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 2r47 s PHE 29 CO 0.02 -0.31 -0.02 0.00 -0.10 0.00 0.00 175.22 174.81 2r47 s ALA 30 N 1.66 2.90 0.21 5.36 0.00 0.08 0.12 121.76 132.10 2r47 s ALA 30 Ca 0.06 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 2r47 s ALA 30 Cb -0.16 -1.76 0.06 0.00 0.00 0.00 0.00 23.12 21.26 2r47 s ALA 30 CO 0.06 -0.38 0.92 0.20 0.00 0.00 0.00 175.76 176.57 2r47 s GLY 31 N 1.40 -0.03 -0.16 0.00 0.00 -0.67 -0.94 107.32 106.92 2r47 s GLY 31 Ca 0.05 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.30 2r47 s GLY 31 CO -0.01 0.57 0.95 0.54 0.00 0.00 0.00 173.10 175.15 2r47 s VAL 32 N -2.93 4.80 0.21 1.40 0.11 -1.26 -0.07 120.40 122.66 2r47 s VAL 32 Ca 0.15 1.89 -0.31 0.00 -2.93 0.00 0.00 61.98 60.79 2r47 s VAL 32 Cb -0.03 -4.25 -0.16 0.00 -1.53 0.00 0.00 36.38 30.42 2r47 s VAL 32 CO 0.05 -0.03 1.00 -2.65 -3.33 0.00 0.00 175.10 170.14 2r47 n PRO 33 N 5.37 0.98 0.00 1.54 -0.02 -1.26 -3.20 135.00 138.41 2r47 n PRO 33 Ca 0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2r47 n PRO 33 Cb 0.48 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.72 2.44 0.61 -1.23 0.00 -1.26 -4.82 105.19 102.64 2r47 n GLY 34 Ca 0.14 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2r47 n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2r47 n VAL 35 N 0.00 0.51 0.00 1.61 0.24 -1.19 -4.57 118.33 114.93 2r47 n VAL 35 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2r47 n VAL 35 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2r47 n VAL 35 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2r47 n THR 37 N 0.23 0.00 0.09 3.34 -1.04 -1.23 -4.72 114.28 110.94 2r47 n THR 37 Ca 0.09 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.25 2r47 n THR 37 Cb 0.31 0.00 0.65 0.00 -1.82 0.00 0.00 70.33 69.47 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 0.04 -0.05 -2.82 0.11 -1.94 -1.28 132.00 126.06 2r47 h PRO 38 Ca 0.00 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 2r47 h PRO 38 Cb 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2r47 h PRO 38 CO 0.00 0.03 -0.94 0.74 -0.21 0.00 0.00 178.00 177.62 2r47 h PHE 39 N 0.05 1.00 -0.93 0.65 0.04 -1.96 -0.42 116.94 115.36 2r47 h PHE 39 Ca 0.16 -0.50 0.10 0.00 2.80 0.00 0.00 57.97 60.53 2r47 h PHE 39 Cb 0.59 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.53 2r47 h PHE 39 CO -0.00 1.34 0.57 0.00 -0.60 0.00 0.00 178.31 179.62 2r47 h ALA 40 N 0.51 1.35 0.06 2.45 0.00 -1.68 -1.89 119.26 120.07 2r47 h ALA 40 Ca -0.10 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 2r47 h ALA 40 Cb 1.58 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2r47 h ALA 40 CO 0.18 0.22 -1.08 1.96 0.00 0.00 0.00 179.25 180.54 2r47 h GLN 41 N 0.95 0.27 -0.02 0.00 4.20 -1.12 -1.48 115.11 117.92 2r47 h GLN 41 Ca 0.44 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2r47 h GLN 41 Cb 0.37 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2r47 h GLN 41 CO -0.24 1.12 0.01 1.25 -0.67 0.00 0.00 178.83 180.30 2r47 h LEU 42 N 0.11 0.02 -0.34 1.46 5.85 -0.93 -1.71 115.31 119.77 2r47 h LEU 42 Ca -0.09 -0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.27 2r47 h LEU 42 Cb 1.77 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 2r47 h LEU 42 CO 0.17 0.18 -0.84 -0.26 -0.34 0.00 0.00 178.44 177.36 2r47 h PHE 43 N -0.14 0.22 -0.39 1.25 0.04 -1.38 -2.59 116.94 113.95 2r47 h PHE 43 Ca 0.01 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.70 2r47 h PHE 43 Cb 0.17 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 2r47 h PHE 43 CO -0.02 0.92 0.14 0.00 -0.60 0.00 0.00 178.31 178.75 2r47 h ALA 44 N 1.04 0.46 -0.81 2.45 0.00 -1.33 -2.67 119.26 118.41 2r47 h ALA 44 Ca -0.03 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.00 2r47 h ALA 44 Cb 1.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2r47 h ALA 44 CO 0.12 -0.24 0.53 -0.92 0.00 0.00 0.00 179.25 178.74 2r47 h TYR 45 N 0.31 0.87 0.00 0.00 3.20 -1.08 -1.56 116.97 118.71 2r47 h TYR 45 Ca 0.18 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2r47 h TYR 45 Cb 0.15 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2r47 h TYR 45 CO -0.14 0.44 -0.24 0.00 -1.64 0.00 0.00 178.16 176.58 2r47 h ALA 46 N 1.57 1.31 -1.19 1.82 0.00 -1.16 -2.96 119.26 118.64 2r47 h ALA 46 Ca 0.36 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 54.53 2r47 h ALA 46 Cb 0.30 -0.04 -0.42 0.00 0.00 0.00 0.00 17.79 17.63 2r47 h ALA 46 CO -0.13 0.30 -0.86 1.33 0.00 0.00 0.00 179.25 179.89 2r47 n VAL 47 N -3.82 2.09 0.46 0.00 0.24 -0.66 -4.88 118.33 111.75 2r47 n VAL 47 Ca -0.02 -4.32 0.05 0.00 -2.04 0.00 0.00 64.34 58.01 2r47 n VAL 47 Cb 0.34 -0.73 0.25 0.00 -1.47 0.00 0.00 33.84 32.23 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 -0.46 0.13 0.00 7.34 1.85 -0.75 -1.17 116.66 123.59 2r47 n ARG 48 Ca 0.33 0.21 0.14 0.00 -1.00 0.00 0.00 57.85 57.52 2r47 n ARG 48 Cb 0.76 -1.50 0.59 0.00 -1.05 0.00 0.00 32.46 31.26 2r47 n ARG 48 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2r47 n ASP 49 N -1.31 0.07 -4.91 2.89 5.75 -1.26 -4.87 116.55 112.90 2r47 n ASP 49 Ca 0.04 0.34 -0.27 0.00 -0.01 0.00 0.00 54.79 54.89 2r47 n ASP 49 Cb 0.09 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 2r47 n ASP 49 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2r47 s LYS 50 N -2.95 3.58 -0.75 0.11 -0.14 -0.32 -5.03 119.74 114.24 2r47 s LYS 50 Ca 0.15 0.02 -0.25 0.00 -1.36 0.00 0.00 55.97 54.53 2r47 s LYS 50 Cb 0.19 -2.54 0.05 0.00 -1.68 0.00 0.00 37.83 33.85 2r47 s LYS 50 CO 0.54 0.03 1.20 0.34 -0.76 0.00 0.00 175.35 176.71 2r47 s ASP 51 N -3.71 6.21 -0.11 2.83 3.68 0.32 -4.99 116.67 120.90 2r47 s ASP 51 Ca 0.45 -0.74 -0.05 0.00 2.13 0.00 0.00 52.55 54.34 2r47 s ASP 51 Cb -0.10 -2.52 -0.04 0.00 -1.45 0.00 0.00 42.92 38.82 2r47 s ASP 51 CO 0.37 -1.67 0.06 0.20 0.13 0.00 0.00 175.17 174.25 2r47 s ASN 52 N 3.83 5.74 0.15 -0.34 0.01 -1.26 -1.36 114.94 121.71 2r47 s ASN 52 Ca 0.32 0.27 0.05 0.00 -0.71 0.00 0.00 52.86 52.79 2r47 s ASN 52 Cb -0.10 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.75 2r47 s ASN 52 CO 0.11 0.37 -0.11 0.27 -1.51 0.00 0.00 177.10 176.23 2r47 s ILE 53 N -0.78 1.20 -0.09 0.60 -4.36 0.48 -0.49 121.20 117.76 2r47 s ILE 53 Ca 0.13 -2.04 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 2r47 s ILE 53 Cb -0.12 -1.83 -0.00 0.00 1.25 0.00 0.00 42.46 41.76 2r47 s ILE 53 CO 0.03 -0.72 -0.23 0.12 0.24 0.00 0.00 174.94 174.38 2r47 s PHE 54 N -3.22 2.43 -0.22 1.37 5.36 0.63 -0.06 117.98 124.26 2r47 s PHE 54 Ca 0.16 -0.94 -0.04 0.00 -0.96 0.00 0.00 56.93 55.15 2r47 s PHE 54 Cb 0.02 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 41.06 2r47 s PHE 54 CO 0.01 -0.37 -0.03 0.42 -1.46 0.00 0.00 175.22 173.80 2r47 s ILE 55 N 0.27 3.56 0.06 3.12 1.01 0.33 -1.71 121.20 127.84 2r47 s ILE 55 Ca -0.15 -0.43 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 2r47 s ILE 55 Cb -0.17 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2r47 s ILE 55 CO 0.07 0.42 0.93 -2.16 0.00 0.00 0.00 174.94 174.21 2r47 s PRO 56 N 1.39 4.62 2.08 2.79 0.04 -1.26 -1.67 135.00 142.99 2r47 s PRO 56 Ca 0.05 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2r47 s PRO 56 Cb -0.14 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2r47 s PRO 56 CO -0.01 0.13 0.00 0.09 0.04 0.00 0.00 177.00 177.25 2r47 n ASN 57 N 3.18 0.00 -0.55 6.66 3.02 0.91 -0.80 115.26 127.67 2r47 n ASN 57 Ca 0.03 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.64 2r47 n ASN 57 Cb 0.50 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.58 -3.18 3.41 -2.24 -1.26 -4.05 114.28 108.55 2r47 n THR 58 Ca 0.00 -1.49 -0.45 0.00 -2.27 0.00 0.00 64.05 59.84 2r47 n THR 58 Cb 0.00 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.60 6.99 0.28 3.42 2.15 0.02 -4.83 116.67 123.10 2r47 s ASP 59 Ca 0.28 -2.94 0.02 0.00 0.43 0.00 0.00 52.55 50.34 2r47 s ASP 59 Cb 0.20 -2.29 0.63 0.00 -0.30 0.00 0.00 42.92 41.17 2r47 s ASP 59 CO 0.09 -0.61 1.75 0.15 -0.17 0.00 0.00 175.17 176.38 2r47 h PHE 60 N 7.47 0.80 0.00 -5.34 3.04 -1.93 -1.35 116.94 119.63 2r47 h PHE 60 Ca 0.19 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.17 2r47 h PHE 60 Cb 0.95 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2r47 h PHE 60 CO 0.98 0.13 0.00 -1.13 -2.02 0.00 0.00 178.31 176.27 2r47 n SER 61 N -4.90 0.26 -0.89 0.41 3.41 -1.26 -0.38 113.62 110.28 2r47 n SER 61 Ca 0.20 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 2r47 n SER 61 Cb 0.52 -0.64 0.18 0.00 -0.26 0.00 0.00 64.21 64.01 2r47 n SER 61 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2r47 n LYS 62 N -1.83 2.22 -1.65 4.33 5.02 -0.51 -4.97 118.16 120.78 2r47 n LYS 62 Ca 0.01 -1.78 -0.48 0.00 -2.02 0.00 0.00 58.31 54.04 2r47 n LYS 62 Cb 0.07 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2r47 n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2r47 n ALA 63 N 1.15 0.71 -2.41 7.82 0.00 0.49 -4.75 120.51 123.52 2r47 n ALA 63 Ca 0.15 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.76 2r47 n ALA 63 Cb 0.56 -2.28 -0.13 0.00 0.00 0.00 0.00 19.45 17.60 2r47 n ALA 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2r47 s ARG 64 N 0.99 1.50 0.36 0.00 0.52 -0.70 -0.30 118.95 121.33 2r47 s ARG 64 Ca 0.81 -1.30 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 2r47 s ARG 64 Cb -0.76 -1.95 -0.10 0.00 0.52 0.00 0.00 34.95 32.66 2r47 s ARG 64 CO 0.41 0.46 1.37 -1.59 0.02 0.00 0.00 175.30 175.97 2r47 s LYS 65 N -2.06 4.18 -0.27 3.54 -2.85 -0.94 -0.27 119.74 121.08 2r47 s LYS 65 Ca 0.15 2.33 -0.12 0.00 -1.00 0.00 0.00 55.97 57.33 2r47 s LYS 65 Cb -0.10 -2.97 -0.05 0.00 -2.06 0.00 0.00 37.83 32.65 2r47 s LYS 65 CO 0.07 -0.37 0.23 -0.51 0.10 0.00 0.00 175.35 174.87 2r47 s LEU 66 N -2.03 4.03 -0.01 2.77 1.43 0.36 -1.16 118.68 124.07 2r47 s LEU 66 Ca 0.52 0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.76 2r47 s LEU 66 Cb -0.42 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2r47 s LEU 66 CO 0.56 -0.07 -0.20 -1.61 0.23 0.00 0.00 176.35 175.25 2r47 s GLU 67 N 1.78 1.61 0.07 1.70 2.02 0.97 -4.61 118.70 122.25 2r47 s GLU 67 Ca 0.09 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 54.09 2r47 s GLU 67 Cb -0.16 -1.56 -0.06 0.00 0.10 0.00 0.00 34.13 32.45 2r47 s GLU 67 CO 0.10 0.43 0.82 0.08 0.02 0.00 0.00 175.26 176.71 2r47 s VAL 68 N -0.48 4.64 0.38 2.63 1.01 -1.26 -0.21 120.40 127.10 2r47 s VAL 68 Ca 0.08 1.76 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2r47 s VAL 68 Cb -0.08 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2r47 s VAL 68 CO -0.01 0.36 0.21 0.42 0.00 0.00 0.00 175.10 176.08 2r47 s THR 69 N -0.12 0.28 -0.15 3.92 -4.23 0.13 -4.95 115.64 110.52 2r47 s THR 69 Ca 0.41 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.12 2r47 s THR 69 Cb -0.21 -2.39 0.20 0.00 1.34 0.00 0.00 72.50 71.43 2r47 s THR 69 CO 0.25 0.00 1.59 -1.84 -0.54 0.00 0.00 174.62 174.08 2r47 n GLU 70 N -0.79 0.13 0.00 3.99 0.28 -1.26 -1.75 120.64 121.24 2r47 n GLU 70 Ca 0.00 0.63 0.11 0.00 -0.16 0.00 0.00 57.16 57.73 2r47 n GLU 70 Cb 0.64 -1.99 -0.06 0.00 1.43 0.00 0.00 31.44 31.46 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 -2.22 0.00 0.00 -1.84 4.01 -1.26 -5.09 117.16 110.76 2r47 n TYR 71 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2r47 n TYR 71 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.30 3.69 2.72 0.00 -0.72 -5.03 105.19 107.63 2r47 n GLY 72 Ca 0.06 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.48 5.04 0.23 1.61 1.01 -1.26 0.22 120.40 125.77 2r47 s VAL 73 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.07 2r47 s VAL 73 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2r47 s VAL 73 CO 0.00 0.48 -0.01 -1.61 0.00 0.00 0.00 175.10 173.96 2r47 s GLU 74 N 0.15 1.32 0.10 2.72 2.02 0.70 -4.90 118.70 120.82 2r47 s GLU 74 Ca 0.06 -1.67 -0.23 0.00 0.02 0.00 0.00 54.97 53.15 2r47 s GLU 74 Cb -0.12 -0.62 -0.07 0.00 0.10 0.00 0.00 34.13 33.43 2r47 s GLU 74 CO -0.00 -0.09 0.71 -0.51 0.02 0.00 0.00 175.26 175.39 2r47 s LEU 75 N -3.30 4.53 0.00 1.80 1.43 -1.26 -0.02 118.68 121.86 2r47 s LEU 75 Ca 0.28 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 2r47 s LEU 75 Cb 0.06 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2r47 s LEU 75 CO 0.08 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2r47 n GLY 76 N 1.90 3.37 3.77 -3.19 0.00 -0.31 -4.92 105.19 105.81 2r47 n GLY 76 Ca -0.06 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 4.13 1.53 0.14 1.61 -1.05 -1.26 -4.61 118.70 119.19 2r47 s GLU 77 Ca 0.00 0.60 -0.33 0.00 -0.15 0.00 0.00 54.97 55.09 2r47 s GLU 77 Cb 0.00 -1.86 -0.13 0.00 -0.44 0.00 0.00 34.13 31.70 2r47 s GLU 77 CO 0.00 -2.00 1.65 -0.89 0.95 0.00 0.00 175.26 174.97 2r47 n ILE 78 N -3.68 0.08 -3.96 1.83 -0.00 -1.26 -2.21 119.36 110.16 2r47 n ILE 78 Ca 0.07 -0.01 -0.31 0.00 -0.00 0.00 0.00 62.75 62.49 2r47 n ILE 78 Cb 0.57 -1.68 -0.14 0.00 -0.00 0.00 0.00 39.64 38.39 2r47 n ILE 78 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2r47 s SER 79 N 1.36 4.62 0.44 4.38 0.15 0.58 -4.80 113.70 120.44 2r47 s SER 79 Ca 0.80 -2.58 -0.05 0.00 0.70 0.00 0.00 55.95 54.81 2r47 s SER 79 Cb -0.64 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2r47 s SER 79 CO 0.38 -0.32 0.73 -2.16 1.20 0.00 0.00 173.24 173.07 2r47 s PRO 80 N 0.32 3.57 0.00 5.44 0.04 -1.26 -4.60 135.00 138.51 2r47 s PRO 80 Ca 0.14 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.33 2r47 s PRO 80 Cb -0.22 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2r47 s PRO 80 CO -0.04 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.31 2r47 n GLY 81 N -1.97 3.78 3.82 0.56 0.00 -1.26 -5.13 105.19 105.00 2r47 n GLY 81 Ca -0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 2r47 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r47 s ASN 82 N 0.00 3.41 0.27 1.61 6.03 -1.26 -5.07 114.94 119.93 2r47 s ASN 82 Ca 0.00 0.75 0.12 0.00 -1.03 0.00 0.00 52.86 52.70 2r47 s ASN 82 Cb 0.00 -1.17 -0.05 0.00 -3.03 0.00 0.00 41.25 37.00 2r47 s ASN 82 CO 0.00 -2.59 -0.20 0.68 -2.03 0.00 0.00 177.10 172.96 2r47 s VAL 83 N -3.44 2.49 -0.35 3.54 -7.23 0.17 -4.95 120.40 110.63 2r47 s VAL 83 Ca 0.66 -2.35 0.22 0.00 -1.81 0.00 0.00 61.98 58.70 2r47 s VAL 83 Cb -0.11 -2.29 -0.24 0.00 0.56 0.00 0.00 36.38 34.30 2r47 s VAL 83 CO 0.52 -0.37 0.73 -0.90 -0.31 0.00 0.00 175.10 174.78 2r47 n ASP 84 N -0.52 0.40 -4.01 4.85 5.68 -0.50 -1.96 116.55 120.48 2r47 n ASP 84 Ca -0.06 -0.19 -0.27 0.00 -0.50 0.00 0.00 54.79 53.78 2r47 n ASP 84 Cb 0.60 1.40 -0.17 0.00 -1.14 0.00 0.00 41.12 41.81 2r47 n ASP 84 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2r47 s VAL 85 N -3.34 1.25 -0.23 2.12 1.01 -1.06 -1.29 120.40 118.86 2r47 s VAL 85 Ca -0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2r47 s VAL 85 Cb 0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 2r47 s VAL 85 CO 0.87 0.39 0.03 -0.22 0.00 0.00 0.00 175.10 176.16 2r47 s LEU 86 N 0.99 3.27 -0.32 3.92 2.96 -0.28 -1.71 118.68 127.51 2r47 s LEU 86 Ca -0.08 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.50 2r47 s LEU 86 Cb -0.15 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.69 2r47 s LEU 86 CO -0.01 -0.00 0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 2r47 s VAL 87 N 1.41 4.35 -0.08 1.68 1.01 0.35 -1.12 120.40 128.00 2r47 s VAL 87 Ca 0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2r47 s VAL 87 Cb -0.15 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2r47 s VAL 87 CO 0.01 -0.00 0.66 -0.76 0.00 0.00 0.00 175.10 175.02 2r47 s LEU 88 N 1.55 4.30 0.09 3.92 1.02 0.31 -0.74 118.68 129.14 2r47 s LEU 88 Ca 0.03 1.11 -0.10 0.00 0.02 0.00 0.00 54.13 55.20 2r47 s LEU 88 Cb -0.18 -3.01 -0.06 0.00 0.02 0.00 0.00 46.19 42.96 2r47 s LEU 88 CO 0.05 -0.11 0.40 -0.76 0.02 0.00 0.00 176.35 175.95 2r47 s LEU 89 N 0.85 4.34 0.44 1.79 1.02 -0.12 -0.93 118.68 126.06 2r47 s LEU 89 Ca 0.35 0.78 0.23 0.00 0.02 0.00 0.00 54.13 55.51 2r47 s LEU 89 Cb -0.17 -3.03 1.22 0.00 0.02 0.00 0.00 46.19 44.23 2r47 s LEU 89 CO 0.16 0.16 1.79 1.23 0.02 0.00 0.00 176.35 179.71 2r47 h GLY 90 N 3.62 0.90 2.00 -3.19 0.00 -1.72 -1.79 103.07 102.88 2r47 h GLY 90 Ca -0.49 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2r47 h GLY 90 CO 0.67 -0.10 -0.08 -1.33 0.00 0.00 0.00 176.54 175.70 2r47 h GLY 91 N 0.29 0.00 0.56 4.60 0.00 -1.94 -1.18 103.07 105.40 2r47 h GLY 91 Ca 0.58 0.00 0.17 0.00 0.00 0.00 0.00 47.33 48.08 2r47 h GLY 91 CO -0.22 0.00 0.53 1.41 0.00 0.00 0.00 176.54 178.26 2r47 h LEU 92 N 0.00 0.33 -0.74 3.11 3.38 -1.66 -2.34 115.31 117.40 2r47 h LEU 92 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r47 h LEU 92 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2r47 h LEU 92 CO 0.01 0.15 0.00 -1.54 0.09 0.00 0.00 178.44 177.15 2r47 n SER 93 N -4.46 1.12 -4.81 -0.43 3.41 -0.45 -1.69 113.62 106.31 2r47 n SER 93 Ca 0.16 -1.48 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 2r47 n SER 93 Cb 0.62 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.93 4.25 0.00 4.33 -1.94 -0.88 -4.91 119.30 118.22 2r47 s MET 94 Ca 0.36 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 55.19 2r47 s MET 94 Cb 0.19 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 34.10 2r47 s MET 94 CO 0.30 0.43 0.00 -2.30 -0.01 0.00 0.00 175.02 173.44 2r47 n PRO 95 N 0.84 0.00 0.00 2.03 -0.02 -1.26 -4.35 135.00 132.24 2r47 n PRO 95 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2r47 n PRO 95 Cb 0.51 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 2r47 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r47 n GLY 98 N 1.11 1.62 3.21 -1.23 0.00 -1.26 -5.15 105.19 103.48 2r47 n GLY 98 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 2r47 n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2r47 s SER 99 N 0.00 1.50 0.35 1.61 1.04 -0.68 -5.04 113.70 112.47 2r47 s SER 99 Ca 0.00 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.18 2r47 s SER 99 Cb 0.00 0.03 -0.11 0.00 0.10 0.00 0.00 66.02 66.04 2r47 s SER 99 CO 0.00 -0.36 1.40 -0.62 0.98 0.00 0.00 173.24 174.64 2r47 s ASP 100 N -2.96 6.57 0.24 7.02 -1.08 -1.26 -4.77 116.67 120.42 2r47 s ASP 100 Ca 0.12 2.85 -0.06 0.00 -0.52 0.00 0.00 52.55 54.94 2r47 s ASP 100 Cb 0.02 -2.66 0.30 0.00 -1.46 0.00 0.00 42.92 39.13 2r47 s ASP 100 CO -0.01 -0.70 1.85 -0.29 0.52 0.00 0.00 175.17 176.54 2r47 h ILE 101 N 3.04 1.06 0.00 4.11 6.09 -2.00 -0.94 117.51 128.87 2r47 h ILE 101 Ca -0.50 -0.33 -0.03 0.00 -1.37 0.00 0.00 64.86 62.63 2r47 h ILE 101 Cb 1.23 0.01 -0.00 0.00 0.47 0.00 0.00 36.82 38.53 2r47 h ILE 101 CO 0.66 0.18 -0.15 1.05 -3.07 0.00 0.00 178.15 176.81 2r47 h GLU 102 N 0.96 0.00 -0.06 2.19 9.09 -1.98 -0.97 114.58 123.81 2r47 h GLU 102 Ca 0.36 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.64 2r47 h GLU 102 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.22 2r47 h GLU 102 CO -0.16 0.15 -0.54 -0.44 0.05 0.00 0.00 179.01 178.08 2r47 h ASP 103 N 0.00 0.17 0.52 3.06 5.19 -1.60 -1.05 116.42 122.71 2r47 h ASP 103 Ca -0.00 -0.09 -0.26 0.00 -0.62 0.00 0.00 57.03 56.06 2r47 h ASP 103 Cb 0.82 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.29 2r47 h ASP 103 CO 0.02 0.68 -1.17 -0.37 -3.12 0.00 0.00 179.24 175.28 2r47 h VAL 104 N 0.12 1.45 -0.70 -1.35 -1.51 -0.95 -2.55 116.25 110.77 2r47 h VAL 104 Ca 0.00 -2.85 0.01 0.00 -1.23 0.00 0.00 66.70 62.63 2r47 h VAL 104 Cb 0.99 2.79 -0.04 0.00 -2.13 0.00 0.00 31.29 32.90 2r47 h VAL 104 CO 0.08 0.84 0.46 0.11 -1.23 0.00 0.00 177.57 177.83 2r47 h LYS 105 N 0.13 0.90 -0.45 5.19 1.57 -1.07 -0.05 116.57 122.79 2r47 h LYS 105 Ca -0.13 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2r47 h LYS 105 Cb 1.86 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 2r47 h LYS 105 CO 0.20 0.59 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.31 2r47 h LYS 106 N 0.92 0.84 -0.40 3.15 1.63 -1.24 -1.95 116.57 119.52 2r47 h LYS 106 Ca 0.26 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2r47 h LYS 106 Cb -0.08 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 2r47 h LYS 106 CO -0.06 0.93 0.12 1.25 -3.45 0.00 0.00 179.45 178.25 2r47 h LEU 107 N 0.75 0.59 -0.88 5.20 5.85 -0.72 0.13 115.31 126.23 2r47 h LEU 107 Ca 0.12 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2r47 h LEU 107 Cb 0.66 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2r47 h LEU 107 CO 0.05 0.64 0.56 0.58 -0.34 0.00 0.00 178.44 179.93 2r47 h VAL 108 N 0.51 1.24 -0.80 1.05 2.07 -1.01 0.39 116.25 119.70 2r47 h VAL 108 Ca 0.13 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2r47 h VAL 108 Cb 0.26 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 2r47 h VAL 108 CO -0.00 0.24 0.53 -0.08 0.02 0.00 0.00 177.57 178.27 2r47 h GLU 109 N 1.20 1.03 0.17 1.57 4.57 -1.03 -2.79 114.58 119.30 2r47 h GLU 109 Ca 0.32 -0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 58.11 2r47 h GLU 109 Cb -0.09 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.27 2r47 h GLU 109 CO -0.06 0.68 -1.59 -0.44 -1.18 0.00 0.00 179.01 176.42 2r47 h ASP 110 N 1.06 0.56 0.39 1.04 3.32 0.54 -3.39 116.42 119.94 2r47 h ASP 110 Ca 0.30 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2r47 h ASP 110 Cb -0.09 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2r47 h ASP 110 CO -0.08 1.62 -1.49 0.00 -1.72 0.00 0.00 179.24 177.57 2r47 n ALA 111 N -2.74 2.87 -3.46 3.45 0.00 0.13 -4.80 120.51 115.96 2r47 n ALA 111 Ca -0.19 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.48 2r47 n ALA 111 Cb 1.07 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 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 -4.65 3.74 0.56 0.00 1.98 -1.05 0.45 118.68 119.70 2r47 s LEU 112 Ca -0.03 -0.96 -0.19 0.00 -2.89 0.00 0.00 54.13 50.05 2r47 s LEU 112 Cb 0.13 -1.77 -0.08 0.00 0.66 0.00 0.00 46.19 45.12 2r47 s LEU 112 CO 0.85 -0.21 0.70 -0.62 -1.89 0.00 0.00 176.35 175.18 2r47 n GLU 113 N 4.74 0.70 -1.66 1.98 1.02 -0.83 -4.78 120.64 121.80 2r47 n GLU 113 Ca -0.14 0.27 -0.57 0.00 -0.02 0.00 0.00 57.16 56.70 2r47 n GLU 113 Cb 0.46 -1.86 -0.07 0.00 -0.02 0.00 0.00 31.44 29.95 2r47 n GLU 113 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2r47 n GLU 114 N -0.29 0.99 -0.99 3.49 4.71 -1.26 0.29 120.64 127.58 2r47 n GLU 114 Ca 0.12 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 2r47 n GLU 114 Cb 0.46 -2.01 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 2r47 n GLU 114 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2r47 n GLY 115 N 3.44 0.47 3.84 0.62 0.00 -1.26 -5.02 105.19 107.28 2r47 n GLY 115 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2r47 n GLY 115 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r47 s GLY 116 N -2.00 1.61 -0.13 -0.02 0.00 0.14 -5.04 107.32 101.88 2r47 s GLY 116 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.26 2r47 s GLY 116 CO 0.00 0.09 0.25 -0.54 0.00 0.00 0.00 173.10 172.90 2r47 s GLU 117 N -5.28 4.02 -0.27 2.90 2.02 -0.41 -4.95 118.70 116.72 2r47 s GLU 117 Ca 0.61 0.04 -0.10 0.00 0.02 0.00 0.00 54.97 55.53 2r47 s GLU 117 Cb -0.13 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 2r47 s GLU 117 CO 0.53 0.43 0.17 -1.17 0.02 0.00 0.00 175.26 175.24 2r47 s LEU 118 N -0.11 3.99 0.27 1.80 2.96 -1.26 -1.12 118.68 125.20 2r47 s LEU 118 Ca 0.16 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2r47 s LEU 118 Cb -0.13 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2r47 s LEU 118 CO 0.04 -0.02 -0.10 -0.04 -1.32 0.00 0.00 176.35 174.91 2r47 s MET 119 N 1.54 1.54 -0.04 1.98 -1.94 -0.27 0.48 119.30 122.58 2r47 s MET 119 Ca 0.07 -1.75 0.02 0.00 -1.71 0.00 0.00 55.69 52.32 2r47 s MET 119 Cb -0.15 -1.29 0.01 0.00 2.01 0.00 0.00 34.83 35.41 2r47 s MET 119 CO 0.09 0.13 -0.09 0.20 -0.01 0.00 0.00 175.02 175.33 2r47 s GLY 120 N -3.44 0.61 -0.19 -0.03 0.00 -0.57 -0.53 107.32 103.18 2r47 s GLY 120 Ca 0.28 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.71 2r47 s GLY 120 CO 0.11 0.11 -0.16 1.08 0.00 0.00 0.00 173.10 174.24 2r47 s LEU 121 N 0.53 2.24 0.27 0.66 1.43 -0.11 -0.84 118.68 122.85 2r47 s LEU 121 Ca -0.09 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 2r47 s LEU 121 Cb -0.13 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2r47 s LEU 121 CO 0.02 -0.07 0.38 0.00 0.23 0.00 0.00 176.35 176.91 2r47 s TYR 123 N -3.71 2.40 -1.79 0.00 2.02 -1.26 -1.24 117.35 113.77 2r47 s TYR 123 Ca 0.30 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2r47 s TYR 123 Cb 0.01 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 2r47 s TYR 123 CO 0.14 0.30 0.00 -1.33 -1.57 0.00 0.00 175.55 173.09 2r47 n MET 124 N 1.12 -1.63 -2.80 -0.62 2.81 0.10 -2.25 117.12 113.85 2r47 n MET 124 Ca -0.17 1.02 -0.22 0.00 -1.81 0.00 0.00 57.70 56.52 2r47 n MET 124 Cb 0.53 -5.64 0.02 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 -1.89 -6.07 -0.21 7.83 2.03 -1.26 -4.90 116.55 112.08 2r47 n ASP 125 Ca -0.24 -0.19 -0.01 0.00 0.52 0.00 0.00 54.79 54.86 2r47 n ASP 125 Cb 0.69 -4.95 0.10 0.00 -0.72 0.00 0.00 41.12 36.24 2r47 n ASP 125 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2r47 h MET 126 N -0.90 0.50 -0.24 -0.67 1.85 -1.81 -1.57 114.93 112.09 2r47 h MET 126 Ca -0.52 -0.03 -0.07 0.00 -0.61 0.00 0.00 59.70 58.47 2r47 h MET 126 Cb 1.37 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 2r47 h MET 126 CO 0.57 0.33 -0.13 0.74 -0.40 0.00 0.00 176.91 178.02 2r47 h PHE 127 N 0.52 0.59 -0.55 1.39 0.04 -1.88 -0.80 116.94 116.24 2r47 h PHE 127 Ca 0.29 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2r47 h PHE 127 Cb 0.28 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2r47 h PHE 127 CO -0.12 0.79 0.35 0.00 -0.60 0.00 0.00 178.31 178.72 2r47 h ALA 128 N 0.71 0.71 -0.30 2.45 0.00 -1.89 -0.93 119.26 120.01 2r47 h ALA 128 Ca 0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2r47 h ALA 128 Cb 0.64 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2r47 h ALA 128 CO 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.24 2r47 h ARG 129 N 0.70 0.52 0.00 0.00 3.08 -1.10 -1.51 114.38 116.07 2r47 h ARG 129 Ca 0.21 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2r47 h ARG 129 Cb -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2r47 h ARG 129 CO -0.08 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 2r47 n ALA 130 N -2.48 2.19 -0.95 0.04 0.00 -0.32 -4.88 120.51 114.11 2r47 n ALA 130 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2r47 n ALA 130 Cb 0.33 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.56 0.50 0.16 0.00 0.00 -0.57 -4.96 105.19 100.89 2r47 n GLY 131 Ca 0.12 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.35 -2.45 115.95 117.82 2r47 h TRP 132 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 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 -0.26 1.88 -3.56 0.00 0.00 178.44 176.50 2r47 h TYR 133 N 0.00 0.00 0.00 0.49 -1.99 -1.83 -0.20 116.97 113.44 2r47 h TYR 133 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2r47 h TYR 133 Cb 0.65 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 2r47 h TYR 133 CO 0.00 0.26 -1.16 0.39 -0.00 0.00 0.00 178.16 177.65 2r47 n GLU 134 N -4.14 0.61 0.01 4.88 1.02 -0.94 -1.35 120.64 120.73 2r47 n GLU 134 Ca -0.02 0.09 -0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2r47 n GLU 134 Cb 0.32 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 29.85 2r47 n GLU 134 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2r47 n LEU 135 N -2.64 0.63 -4.41 -4.62 4.77 -1.11 -4.72 117.00 104.90 2r47 n LEU 135 Ca -0.01 0.28 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 2r47 n LEU 135 Cb 0.58 0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 2r47 n LEU 135 CO 0.41 0.18 -0.46 -0.76 -1.33 0.00 0.00 177.39 175.43 2r47 s LEU 136 N -5.58 2.57 -0.96 2.23 1.02 -0.10 -5.02 118.68 112.83 2r47 s LEU 136 Ca -0.05 -1.03 -0.04 0.00 0.02 0.00 0.00 54.13 53.04 2r47 s LEU 136 Cb 0.09 -0.89 0.24 0.00 0.02 0.00 0.00 46.19 45.65 2r47 s LEU 136 CO 0.83 -0.07 0.89 -0.67 0.02 0.00 0.00 176.35 177.34 2r47 n ASP 137 N -0.50 4.59 -4.75 2.29 2.03 -1.26 -1.18 116.55 117.77 2r47 n ASP 137 Ca -0.06 -3.11 -0.41 0.00 0.52 0.00 0.00 54.79 51.73 2r47 n ASP 137 Cb 0.60 -1.15 -0.04 0.00 -0.72 0.00 0.00 41.12 39.82 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 -1.37 3.49 -0.06 -0.67 0.08 -1.26 -4.75 117.98 113.44 2r47 s PHE 138 Ca 0.29 1.58 -0.07 0.00 0.12 0.00 0.00 56.93 58.85 2r47 s PHE 138 Cb -0.08 -3.36 -0.29 0.00 -0.57 0.00 0.00 43.02 38.72 2r47 s PHE 138 CO -0.11 -0.87 0.61 -0.44 -0.10 0.00 0.00 175.22 174.31 2r47 h ASP 139 N 4.31 0.50 -3.66 1.36 3.32 -0.37 -3.45 116.42 118.44 2r47 h ASP 139 Ca -0.46 -0.83 -0.18 0.00 0.02 0.00 0.00 57.03 55.58 2r47 h ASP 139 Cb 1.21 -0.16 -0.27 0.00 0.22 0.00 0.00 39.33 40.33 2r47 h ASP 139 CO 0.69 1.72 -0.46 0.00 -1.72 0.00 0.00 179.24 179.47 2r47 s VAL 141 N 0.51 1.47 -0.20 0.00 1.01 -1.26 -1.51 120.40 120.41 2r47 s VAL 141 Ca -0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2r47 s VAL 141 Cb -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2r47 s VAL 141 CO -0.03 0.42 -0.11 -0.63 0.00 0.00 0.00 175.10 174.76 2r47 s ILE 142 N 0.04 2.84 -0.06 2.22 1.01 -0.02 -4.96 121.20 122.27 2r47 s ILE 142 Ca -0.04 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.99 2r47 s ILE 142 Cb -0.12 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2r47 s ILE 142 CO 0.02 0.47 -0.24 0.21 0.00 0.00 0.00 174.94 175.41 2r47 s ASN 143 N 1.38 3.17 -0.02 3.58 3.04 -1.26 -1.65 114.94 123.18 2r47 s ASN 143 Ca 0.05 -0.48 0.05 0.00 0.04 0.00 0.00 52.86 52.53 2r47 s ASN 143 Cb -0.14 -0.81 -0.01 0.00 -1.54 0.00 0.00 41.25 38.75 2r47 s ASN 143 CO -0.07 0.26 -0.18 0.00 -3.04 0.00 0.00 177.10 174.07 2r47 s ALA 144 N -0.23 1.54 -0.01 1.71 0.00 -0.37 -4.98 121.76 119.41 2r47 s ALA 144 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2r47 s ALA 144 Cb -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 2r47 s ALA 144 CO 0.03 0.36 0.05 -0.51 0.00 0.00 0.00 175.76 175.69 2r47 s ASP 145 N -0.35 5.48 -0.07 0.00 1.01 -1.26 -0.73 116.67 120.75 2r47 s ASP 145 Ca 0.05 0.10 0.05 0.00 0.71 0.00 0.00 52.55 53.46 2r47 s ASP 145 Cb -0.08 -1.53 -0.01 0.00 1.01 0.00 0.00 42.92 42.32 2r47 s ASP 145 CO -0.00 0.28 -0.23 -0.63 0.21 0.00 0.00 175.17 174.80 2r47 s ILE 146 N -1.14 1.92 0.19 0.77 -1.09 -1.26 -4.98 121.20 115.61 2r47 s ILE 146 Ca 0.21 -0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 2r47 s ILE 146 Cb -0.12 -1.64 0.02 0.00 -1.58 0.00 0.00 42.46 39.14 2r47 s ILE 146 CO 0.12 0.53 0.49 1.51 -1.23 0.00 0.00 174.94 176.36 2r47 s ASP 147 N 0.06 -0.21 0.00 3.58 1.47 -1.26 -5.07 116.67 115.24 2r47 s ASP 147 Ca -0.09 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.08 2r47 s ASP 147 Cb -0.15 0.56 0.00 0.00 -0.34 0.00 0.00 42.92 42.99 2r47 s ASP 147 CO 0.05 -1.04 0.00 0.61 0.68 0.00 0.00 175.17 175.47 2r47 n GLY 148 N -0.32 1.26 3.09 2.12 0.00 -1.26 -5.17 105.19 104.90 2r47 n GLY 148 Ca -0.09 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 2r47 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r47 s TYR 149 N -4.25 -0.20 -0.14 1.61 2.02 -1.26 -5.15 117.35 109.98 2r47 s TYR 149 Ca 0.00 0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 57.13 2r47 s TYR 149 Cb 0.00 0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 2r47 s TYR 149 CO 0.00 -0.13 0.04 0.08 -1.57 0.00 0.00 175.55 173.96 2r47 s VAL 150 N -0.07 4.58 0.15 0.71 1.01 -1.26 -5.12 120.40 120.41 2r47 s VAL 150 Ca -0.02 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2r47 s VAL 150 Cb -0.02 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2r47 s VAL 150 CO 0.01 0.53 -0.22 -0.76 0.00 0.00 0.00 175.10 174.65 2r47 s LEU 151 N -0.16 2.39 0.02 3.92 1.02 -1.26 -5.15 118.68 119.46 2r47 s LEU 151 Ca 0.06 -0.81 0.05 0.00 0.02 0.00 0.00 54.13 53.46 2r47 s LEU 151 Cb -0.12 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 45.07 2r47 s LEU 151 CO 0.02 0.06 -0.16 -0.60 0.02 0.00 0.00 176.35 175.69 2r47 s ARG 152 N -2.45 1.12 0.00 1.70 6.06 -1.26 -5.37 118.95 118.74 2r47 s ARG 152 Ca 0.15 -0.73 0.24 0.00 -2.50 0.00 0.00 55.73 52.89 2r47 s ARG 152 Cb -0.08 -1.14 0.19 0.00 0.06 0.00 0.00 34.95 33.98 2r47 s ARG 152 CO 0.07 0.29 1.26 0.41 -2.50 0.00 0.00 175.30 174.83