#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ds9 n ALA 2 N 0.00 0.00 -3.00 3.04 0.00 -1.26 0.10 120.51 119.39 1ds9 n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ds9 n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ds9 n ALA 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ds9 n LYS 3 N 0.00 0.00 -3.20 0.00 4.81 -1.26 -4.71 118.16 113.80 1ds9 n LYS 3 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1ds9 n LYS 3 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 1ds9 n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ds9 s ALA 4 N -1.00 -2.26 0.00 3.14 0.00 -1.26 -4.77 121.76 115.61 1ds9 s ALA 4 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1ds9 s ALA 4 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1ds9 s ALA 4 CO 0.00 -2.03 0.00 2.41 0.00 0.00 0.00 175.76 176.14 1ds9 n THR 5 N 4.87 0.00 -2.64 0.00 -1.04 -1.26 -4.47 114.28 109.75 1ds9 n THR 5 Ca 0.08 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.86 1ds9 n THR 5 Cb 0.55 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.16 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ds9 s THR 6 N 0.58 2.17 -0.02 12.58 2.01 -1.26 -2.38 115.64 129.32 1ds9 s THR 6 Ca 0.00 -0.64 -0.23 0.00 0.31 0.00 0.00 61.69 61.13 1ds9 s THR 6 Cb 0.00 -2.53 -0.16 0.00 0.01 0.00 0.00 72.50 69.82 1ds9 s THR 6 CO 0.00 0.00 1.07 0.40 -0.69 0.00 0.00 174.62 175.40 1ds9 h ILE 7 N -0.42 0.77 -0.47 1.82 2.04 -1.93 0.56 117.51 119.88 1ds9 h ILE 7 Ca -0.36 -0.84 -0.14 0.00 1.00 0.00 0.00 64.86 64.52 1ds9 h ILE 7 Cb 1.27 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1ds9 h ILE 7 CO 0.41 0.16 -0.24 0.11 0.00 0.00 0.00 178.15 178.59 1ds9 h LYS 8 N -0.80 1.00 -0.29 2.37 1.57 -1.95 -1.66 116.57 116.80 1ds9 h LYS 8 Ca -0.03 -0.44 -0.08 0.00 -1.87 0.00 0.00 60.65 58.23 1ds9 h LYS 8 Cb 0.51 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1ds9 h LYS 8 CO 0.05 1.12 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.47 1ds9 h ASP 9 N 0.85 0.62 -0.02 0.86 3.32 -1.95 0.39 116.42 120.49 1ds9 h ASP 9 Ca 0.10 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ds9 h ASP 9 Cb 0.83 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 1ds9 h ASP 9 CO 0.07 0.89 0.01 0.00 -1.72 0.00 0.00 179.24 178.49 1ds9 h ALA 10 N 0.75 0.02 -0.26 3.45 0.00 0.21 0.40 119.26 123.83 1ds9 h ALA 10 Ca 0.06 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1ds9 h ALA 10 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ds9 h ALA 10 CO 0.04 -0.46 -0.28 0.82 0.00 0.00 0.00 179.25 179.37 1ds9 h ILE 11 N -0.02 1.31 -0.95 0.00 2.04 -1.29 0.02 117.51 118.62 1ds9 h ILE 11 Ca 0.01 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1ds9 h ILE 11 Cb 0.04 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1ds9 h ILE 11 CO -0.00 0.46 0.63 0.03 0.00 0.00 0.00 178.15 179.27 1ds9 h ARG 12 N 0.37 1.23 -0.48 2.37 3.08 -0.08 0.41 114.38 121.28 1ds9 h ARG 12 Ca 0.04 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1ds9 h ARG 12 Cb 0.85 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1ds9 h ARG 12 CO 0.07 0.82 -0.03 0.82 -1.07 0.00 0.00 179.97 180.57 1ds9 h ILE 13 N 1.27 1.27 0.00 2.04 2.04 -0.07 0.08 117.51 124.14 1ds9 h ILE 13 Ca 0.35 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1ds9 h ILE 13 Cb -0.12 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1ds9 h ILE 13 CO -0.09 0.39 0.00 -0.26 0.00 0.00 0.00 178.15 178.19 1ds9 h PHE 14 N 0.73 0.00 0.01 1.37 0.04 0.15 0.89 116.94 120.14 1ds9 h PHE 14 Ca 0.13 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.61 1ds9 h PHE 14 Cb 0.55 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.66 1ds9 h PHE 14 CO 0.04 0.00 -1.70 1.49 -0.60 0.00 0.00 178.31 177.54 1ds9 h GLU 15 N 0.00 0.02 0.00 1.51 4.22 0.39 0.92 114.58 121.64 1ds9 h GLU 15 Ca 0.00 -0.03 -0.34 0.00 0.08 0.00 0.00 59.36 59.06 1ds9 h GLU 15 Cb 0.53 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1ds9 h GLU 15 CO 0.00 0.56 -2.15 0.39 -2.18 0.00 0.00 179.01 175.63 1ds9 n GLU 16 N -3.09 0.67 -0.03 1.92 -0.58 -0.04 -3.38 120.64 116.11 1ds9 n GLU 16 Ca -0.17 0.10 -0.02 0.00 -0.42 0.00 0.00 57.16 56.65 1ds9 n GLU 16 Cb 1.05 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.29 1ds9 n GLU 16 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ds9 n ARG 17 N -2.86 0.17 0.22 3.49 1.74 0.31 -4.51 116.66 115.23 1ds9 n ARG 17 Ca -0.27 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.15 1ds9 n ARG 17 Cb 1.12 -0.97 0.40 0.00 -1.02 0.00 0.00 32.46 31.99 1ds9 n ARG 17 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ds9 h LYS 18 N -0.35 0.00 -5.41 5.56 1.79 0.93 -3.44 116.57 115.64 1ds9 h LYS 18 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1ds9 h LYS 18 Cb 0.25 0.00 0.19 0.00 -1.58 0.00 0.00 32.23 31.09 1ds9 h LYS 18 CO 0.00 0.17 -0.82 0.43 -1.08 0.00 0.00 179.45 178.15 1ds9 n SER 19 N -3.25 -5.63 -3.42 0.86 7.64 0.30 -4.93 113.62 105.20 1ds9 n SER 19 Ca 0.01 -0.67 -0.17 0.00 1.01 0.00 0.00 58.87 59.05 1ds9 n SER 19 Cb 0.46 -5.07 -0.03 0.00 -1.01 0.00 0.00 64.21 58.56 1ds9 n SER 19 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ds9 n VAL 20 N -3.35 0.00 -3.29 0.44 0.24 -0.24 -4.95 118.33 107.17 1ds9 n VAL 20 Ca -0.11 -1.26 -0.26 0.00 -2.04 0.00 0.00 64.34 60.67 1ds9 n VAL 20 Cb 0.63 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.15 1ds9 n VAL 20 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1ds9 n VAL 21 N -0.70 1.97 0.00 3.34 0.31 -1.26 -4.58 118.33 117.41 1ds9 n VAL 21 Ca -0.11 -5.10 0.00 0.00 -0.01 0.00 0.00 64.34 59.13 1ds9 n VAL 21 Cb 0.34 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 1ds9 n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ds9 n ALA 22 N 0.71 -0.04 -3.95 3.52 0.00 -1.26 -4.77 120.51 114.72 1ds9 n ALA 22 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1ds9 n ALA 22 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1ds9 n ALA 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ds9 n THR 23 N -0.96 -2.49 -2.65 0.00 -1.04 -1.26 -0.08 114.28 105.79 1ds9 n THR 23 Ca 0.00 -0.21 -0.20 0.00 -2.04 0.00 0.00 64.05 61.60 1ds9 n THR 23 Cb 0.00 -2.71 0.00 0.00 -1.82 0.00 0.00 70.33 65.80 1ds9 n THR 23 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ds9 n GLU 24 N -4.48 -2.79 -2.92 -2.82 2.13 -1.26 -4.94 120.64 103.56 1ds9 n GLU 24 Ca -0.09 0.86 -0.38 0.00 0.66 0.00 0.00 57.16 58.21 1ds9 n GLU 24 Cb 0.58 -5.57 -0.06 0.00 0.27 0.00 0.00 31.44 26.66 1ds9 n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ds9 s ALA 25 N -2.99 3.36 0.45 4.31 0.00 0.88 -4.72 121.76 123.05 1ds9 s ALA 25 Ca 0.11 0.39 0.14 0.00 0.00 0.00 0.00 51.96 52.60 1ds9 s ALA 25 Cb -0.05 -3.02 1.02 0.00 0.00 0.00 0.00 23.12 21.07 1ds9 s ALA 25 CO 0.14 0.26 2.01 0.93 0.00 0.00 0.00 175.76 179.10 1ds9 h GLU 26 N 3.74 0.04 -4.57 0.00 5.08 -1.51 -3.37 114.58 113.98 1ds9 h GLU 26 Ca -0.47 -0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.19 1ds9 h GLU 26 Cb 1.20 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.11 1ds9 h GLU 26 CO 0.66 0.18 -0.59 0.15 -1.00 0.00 0.00 179.01 178.41 1ds9 s LYS 27 N -4.74 2.20 -0.23 2.33 1.02 -1.25 0.33 119.74 119.39 1ds9 s LYS 27 Ca -0.04 -1.60 -0.03 0.00 0.02 0.00 0.00 55.97 54.32 1ds9 s LYS 27 Cb 0.16 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.99 1ds9 s LYS 27 CO 0.70 -0.91 -0.05 0.08 -0.92 0.00 0.00 175.35 174.25 1ds9 s VAL 28 N 1.21 3.22 -0.94 3.17 1.01 -0.58 -4.91 120.40 122.58 1ds9 s VAL 28 Ca 0.04 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1ds9 s VAL 28 Cb -0.22 -2.51 0.21 0.00 0.00 0.00 0.00 36.38 33.86 1ds9 s VAL 28 CO -0.02 0.36 0.97 -1.61 0.00 0.00 0.00 175.10 174.80 1ds9 s GLU 29 N 1.44 3.78 0.78 2.72 2.02 -1.26 -1.01 118.70 127.17 1ds9 s GLU 29 Ca 0.04 -2.50 -0.05 0.00 0.02 0.00 0.00 54.97 52.48 1ds9 s GLU 29 Cb -0.15 -4.61 0.15 0.00 0.10 0.00 0.00 34.13 29.62 1ds9 s GLU 29 CO -0.04 -1.42 1.08 -0.51 0.02 0.00 0.00 175.26 174.39 1ds9 s LEU 30 N 0.47 2.91 0.00 1.80 2.01 0.14 -4.79 118.68 121.21 1ds9 s LEU 30 Ca 0.26 -0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.20 1ds9 s LEU 30 Cb -0.08 -2.07 0.00 0.00 0.01 0.00 0.00 46.19 44.05 1ds9 s LEU 30 CO -0.08 -2.08 0.00 1.57 1.01 0.00 0.00 176.35 176.77 1ds9 n HIS 31 N -3.07 0.00 -3.97 0.29 -0.00 -1.26 -3.97 115.22 103.24 1ds9 n HIS 31 Ca 0.15 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.21 1ds9 n HIS 31 Cb 0.60 0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.46 1ds9 n HIS 31 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ds9 n GLY 32 N 3.16 2.37 0.82 1.57 0.00 -1.26 0.10 105.19 111.95 1ds9 n GLY 32 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 1ds9 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ds9 n MET 33 N -0.45 0.13 -4.97 1.61 0.00 -0.20 -4.80 117.12 108.43 1ds9 n MET 33 Ca 0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 57.70 56.62 1ds9 n MET 33 Cb 0.46 0.68 -0.15 0.00 0.00 0.00 0.00 33.22 34.21 1ds9 n MET 33 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1ds9 s ILE 34 N -2.40 2.26 0.37 2.02 -4.36 -1.24 -4.19 121.20 113.66 1ds9 s ILE 34 Ca 0.09 -1.26 0.06 0.00 -0.26 0.00 0.00 60.65 59.29 1ds9 s ILE 34 Cb 0.00 -1.87 0.19 0.00 1.25 0.00 0.00 42.46 42.03 1ds9 s ILE 34 CO 0.06 0.43 1.93 1.55 0.24 0.00 0.00 174.94 179.15 1ds9 h PRO 35 N 4.95 0.45 0.00 0.37 0.13 -1.50 -2.27 132.00 134.14 1ds9 h PRO 35 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1ds9 h PRO 35 Cb 1.14 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ds9 h PRO 35 CO 0.45 0.45 0.00 -0.35 -0.23 0.00 0.00 178.00 178.33 1ds9 n PRO 36 N -4.33 0.83 -1.51 1.56 -0.04 -1.26 0.57 135.00 130.83 1ds9 n PRO 36 Ca 0.01 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.98 1ds9 n PRO 36 Cb 0.20 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1ds9 n PRO 36 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ds9 n ILE 37 N -0.82 0.26 -0.07 0.52 3.06 -0.85 -4.80 119.36 116.66 1ds9 n ILE 37 Ca 0.13 -0.27 -0.07 0.00 -2.50 0.00 0.00 62.75 60.03 1ds9 n ILE 37 Cb 0.06 -1.82 -0.02 0.00 0.54 0.00 0.00 39.64 38.40 1ds9 n ILE 37 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 1ds9 n GLU 38 N 8.03 0.42 -3.93 9.51 2.13 -1.26 -1.66 120.64 133.88 1ds9 n GLU 38 Ca 0.37 0.17 -0.15 0.00 0.66 0.00 0.00 57.16 58.20 1ds9 n GLU 38 Cb 0.27 -1.23 -0.15 0.00 0.27 0.00 0.00 31.44 30.59 1ds9 n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1ds9 s LYS 39 N -2.63 0.18 -0.51 5.31 -2.85 -1.26 -2.88 119.74 115.10 1ds9 s LYS 39 Ca -0.23 0.03 -0.15 0.00 -1.00 0.00 0.00 55.97 54.62 1ds9 s LYS 39 Cb 0.03 -0.30 0.11 0.00 -2.06 0.00 0.00 37.83 35.62 1ds9 s LYS 39 CO 0.34 -0.06 0.44 -1.64 0.10 0.00 0.00 175.35 174.53 1ds9 s MET 40 N 0.55 2.89 0.34 1.78 -1.94 -1.26 -4.20 119.30 117.46 1ds9 s MET 40 Ca -0.05 -1.61 0.03 0.00 -1.71 0.00 0.00 55.69 52.35 1ds9 s MET 40 Cb -0.08 -4.17 0.59 0.00 2.01 0.00 0.00 34.83 33.18 1ds9 s MET 40 CO -0.01 -1.21 1.93 -0.44 -0.01 0.00 0.00 175.02 175.28 1ds9 h ASP 41 N 8.77 0.63 -0.36 3.03 5.19 -1.70 -1.28 116.42 130.70 1ds9 h ASP 41 Ca -0.28 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.12 1ds9 h ASP 41 Cb 1.10 -0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.39 1ds9 h ASP 41 CO 0.96 0.57 0.03 0.00 -3.12 0.00 0.00 179.24 177.68 1ds9 h ALA 42 N 1.52 0.36 -0.66 3.45 0.00 -1.80 0.05 119.26 122.18 1ds9 h ALA 42 Ca 0.17 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ds9 h ALA 42 Cb 0.14 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ds9 h ALA 42 CO -0.02 -0.37 0.37 1.15 0.00 0.00 0.00 179.25 180.38 1ds9 h THR 43 N 0.14 1.20 -0.81 0.00 2.02 -1.72 0.81 112.91 114.55 1ds9 h THR 43 Ca 0.17 -0.50 0.19 0.00 0.77 0.00 0.00 66.41 67.04 1ds9 h THR 43 Cb 0.22 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 1ds9 h THR 43 CO -0.26 0.22 0.55 -0.07 0.37 0.00 0.00 175.52 176.33 1ds9 h LEU 44 N 0.90 0.31 0.00 2.58 4.07 0.07 -0.46 115.31 122.79 1ds9 h LEU 44 Ca 0.23 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1ds9 h LEU 44 Cb 0.03 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ds9 h LEU 44 CO -0.04 0.14 -0.97 -1.20 -1.08 0.00 0.00 178.44 175.29 1ds9 n SER 45 N -4.46 1.91 0.30 -0.43 7.64 -0.44 -4.44 113.62 113.71 1ds9 n SER 45 Ca 0.17 0.32 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1ds9 n SER 45 Cb 0.66 -0.73 0.58 0.00 -1.01 0.00 0.00 64.21 63.71 1ds9 n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ds9 h THR 46 N -0.97 0.00 -1.00 0.44 1.03 0.58 -2.08 112.91 110.90 1ds9 h THR 46 Ca 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 66.41 66.67 1ds9 h THR 46 Cb 0.97 0.47 -0.13 0.00 -1.07 0.00 0.00 68.15 68.39 1ds9 h THR 46 CO 0.00 0.00 0.59 0.17 -0.01 0.00 0.00 175.52 176.27 1ds9 h LEU 47 N 0.00 0.62 -0.73 0.00 8.10 -1.23 1.18 115.31 123.25 1ds9 h LEU 47 Ca 0.00 0.16 -0.01 0.00 0.11 0.00 0.00 57.88 58.13 1ds9 h LEU 47 Cb 0.89 0.07 -0.03 0.00 -0.44 0.00 0.00 40.66 41.15 1ds9 h LEU 47 CO 0.00 0.01 0.40 0.50 -4.11 0.00 0.00 178.44 175.24 1ds9 h LYS 48 N 0.49 1.02 -0.93 0.17 3.64 -1.66 -1.75 116.57 117.55 1ds9 h LYS 48 Ca 0.68 -0.12 -0.54 0.00 -1.27 0.00 0.00 60.65 59.40 1ds9 h LYS 48 Cb 1.40 -0.20 -0.29 0.00 -0.41 0.00 0.00 32.23 32.73 1ds9 h LYS 48 CO -0.53 0.76 0.61 0.00 -2.27 0.00 0.00 179.45 178.03 1ds9 n ALA 49 N -2.35 5.70 -2.54 5.00 0.00 0.34 -4.96 120.51 121.69 1ds9 n ALA 49 Ca 0.06 -3.12 -0.29 0.00 0.00 0.00 0.00 53.44 50.09 1ds9 n ALA 49 Cb 0.09 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.99 1ds9 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n LYS 51 N 0.66 0.00 -4.77 0.00 4.81 -0.80 -4.68 118.16 113.38 1ds9 n LYS 51 Ca -0.14 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.97 1ds9 n LYS 51 Cb 0.53 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.42 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1ds9 s HIS 52 N -2.00 2.69 -0.07 5.64 2.46 0.15 -0.98 115.29 123.18 1ds9 s HIS 52 Ca 0.00 -1.14 0.03 0.00 0.47 0.00 0.00 55.06 54.43 1ds9 s HIS 52 Cb 0.00 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.64 1ds9 s HIS 52 CO 0.00 -0.50 -0.17 -1.17 -2.47 0.00 0.00 174.74 170.43 1ds9 s LEU 53 N 0.66 1.85 -0.09 8.88 2.96 -0.56 -1.53 118.68 130.87 1ds9 s LEU 53 Ca -0.10 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1ds9 s LEU 53 Cb -0.16 -1.03 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 1ds9 s LEU 53 CO 0.02 0.11 -0.24 0.00 -1.32 0.00 0.00 176.35 174.91 1ds9 s ALA 54 N 0.36 2.17 0.10 5.97 0.00 -0.18 -0.40 121.76 129.78 1ds9 s ALA 54 Ca -0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1ds9 s ALA 54 Cb -0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1ds9 s ALA 54 CO 0.05 0.33 0.12 -0.51 0.00 0.00 0.00 175.76 175.74 1ds9 s LEU 55 N 0.17 1.72 0.00 0.00 1.02 0.11 0.27 118.68 121.97 1ds9 s LEU 55 Ca -0.14 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.11 1ds9 s LEU 55 Cb -0.17 0.68 0.00 0.00 0.02 0.00 0.00 46.19 46.72 1ds9 s LEU 55 CO 0.07 -0.72 0.00 -0.24 0.02 0.00 0.00 176.35 175.48 1ds9 n SER 56 N -0.05 0.00 -4.26 2.29 2.88 0.28 -2.56 113.62 112.21 1ds9 n SER 56 Ca -0.11 0.00 -0.44 0.00 -1.33 0.00 0.00 58.87 56.99 1ds9 n SER 56 Cb 0.62 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1ds9 n SER 56 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ds9 s THR 57 N -0.27 4.86 -0.29 2.46 -1.32 0.58 0.79 115.64 122.46 1ds9 s THR 57 Ca 0.00 -2.16 0.03 0.00 -1.21 0.00 0.00 61.69 58.35 1ds9 s THR 57 Cb 0.00 -4.10 0.07 0.00 -1.51 0.00 0.00 72.50 66.97 1ds9 s THR 57 CO 0.00 -0.90 -0.05 0.54 -2.21 0.00 0.00 174.62 171.99 1ds9 s ASN 58 N 2.38 4.58 -0.19 8.08 4.22 0.17 -1.03 114.94 133.15 1ds9 s ASN 58 Ca 0.11 -1.64 -0.15 0.00 -2.14 0.00 0.00 52.86 49.05 1ds9 s ASN 58 Cb -0.20 -1.58 -0.04 0.00 1.28 0.00 0.00 41.25 40.70 1ds9 s ASN 58 CO -0.03 -0.26 0.34 0.21 -2.04 0.00 0.00 177.10 175.32 1ds9 s ASN 59 N 1.05 6.41 -0.01 3.54 3.84 -1.26 -1.47 114.94 127.04 1ds9 s ASN 59 Ca -0.02 0.47 0.02 0.00 0.21 0.00 0.00 52.86 53.54 1ds9 s ASN 59 Cb -0.20 -2.20 -0.01 0.00 -0.55 0.00 0.00 41.25 38.29 1ds9 s ASN 59 CO -0.06 -0.01 -0.08 0.27 -2.79 0.00 0.00 177.10 174.44 1ds9 s ILE 60 N 1.02 0.61 -0.15 -5.21 -4.36 -0.54 -1.14 121.20 111.44 1ds9 s ILE 60 Ca 0.17 -0.33 -0.06 0.00 -0.26 0.00 0.00 60.65 60.17 1ds9 s ILE 60 Cb -0.14 -0.52 -0.24 0.00 1.25 0.00 0.00 42.46 42.81 1ds9 s ILE 60 CO 0.06 0.18 0.26 1.21 0.24 0.00 0.00 174.94 176.89 1ds9 n GLU 61 N 2.93 0.73 -0.00 0.37 4.07 0.19 -4.48 120.64 124.46 1ds9 n GLU 61 Ca -0.14 0.26 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 1ds9 n GLU 61 Cb 0.57 -1.68 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 1ds9 n GLU 61 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ds9 n LYS 62 N -3.51 2.96 -4.19 5.31 3.00 -0.67 -4.71 118.16 116.36 1ds9 n LYS 62 Ca -0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 57.85 1ds9 n LYS 62 Cb 1.02 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.95 1ds9 n LYS 62 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ds9 s ILE 63 N 0.48 0.74 0.78 3.15 -5.25 -1.14 -4.79 121.20 115.17 1ds9 s ILE 63 Ca 0.00 -1.96 -0.13 0.00 -0.99 0.00 0.00 60.65 57.57 1ds9 s ILE 63 Cb 0.00 -1.77 0.18 0.00 2.95 0.00 0.00 42.46 43.82 1ds9 s ILE 63 CO 0.00 -0.80 1.02 -0.24 -1.79 0.00 0.00 174.94 173.13 1ds9 n SER 64 N -0.09 -0.08 -4.54 4.36 2.88 -1.25 -4.18 113.62 110.72 1ds9 n SER 64 Ca -0.11 -1.34 -0.41 0.00 -1.33 0.00 0.00 58.87 55.68 1ds9 n SER 64 Cb 0.61 -0.79 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1ds9 n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ds9 n SER 65 N -3.73 2.38 -0.13 -3.46 2.88 -1.26 -4.77 113.62 105.52 1ds9 n SER 65 Ca 0.13 -0.12 0.27 0.00 -1.33 0.00 0.00 58.87 57.82 1ds9 n SER 65 Cb 0.45 -1.47 0.62 0.00 -0.75 0.00 0.00 64.21 63.06 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 1ds9 h LEU 66 N 16.65 0.00 -0.62 2.46 -0.00 -1.89 0.76 115.31 132.68 1ds9 h LEU 66 Ca -0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.46 1ds9 h LEU 66 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1ds9 h LEU 66 CO 1.10 0.00 -0.68 0.77 -0.00 0.00 0.00 178.44 179.63 1ds9 h SER 67 N 0.00 0.00 0.24 0.17 4.64 -1.97 -1.16 113.55 115.48 1ds9 h SER 67 Ca 0.41 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.39 1ds9 h SER 67 Cb 2.17 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.22 1ds9 h SER 67 CO -0.00 0.68 -1.97 0.61 -0.87 0.00 0.00 176.83 175.28 1ds9 n GLY 68 N 0.47 -0.75 0.18 -0.77 0.00 0.25 -3.84 105.19 100.73 1ds9 n GLY 68 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1ds9 n GLY 68 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ds9 h MET 69 N 0.03 0.58 -0.11 1.61 -1.53 -1.12 -3.02 114.93 111.38 1ds9 h MET 69 Ca -0.40 -0.37 0.03 0.00 -3.44 0.00 0.00 59.70 55.53 1ds9 h MET 69 Cb 2.04 0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 33.13 1ds9 h MET 69 CO 0.06 0.98 0.09 1.05 0.14 0.00 0.00 176.91 179.23 1ds9 h GLU 70 N 0.25 0.00 -0.11 0.39 4.11 -1.38 -1.44 114.58 116.39 1ds9 h GLU 70 Ca 0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.47 1ds9 h GLU 70 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ds9 h GLU 70 CO 0.08 0.00 0.26 -0.91 0.07 0.00 0.00 179.01 178.51 1ds9 h ASN 71 N 0.00 0.00 -3.08 3.06 2.35 -1.63 -3.32 115.58 112.96 1ds9 h ASN 71 Ca 0.05 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.40 1ds9 h ASN 71 Cb 0.23 0.00 0.22 0.00 0.05 0.00 0.00 38.32 38.82 1ds9 h ASN 71 CO -0.00 0.00 -0.08 -0.76 -1.65 0.00 0.00 177.43 174.94 1ds9 s LEU 72 N -6.54 -0.40 0.00 1.61 2.01 -0.54 -4.72 118.68 110.10 1ds9 s LEU 72 Ca -0.04 1.15 0.00 0.00 0.01 0.00 0.00 54.13 55.25 1ds9 s LEU 72 Cb 0.12 -2.76 0.00 0.00 0.01 0.00 0.00 46.19 43.56 1ds9 s LEU 72 CO 0.41 -4.97 0.00 0.54 1.01 0.00 0.00 176.35 173.33 1ds9 n ARG 73 N -5.40 0.00 -3.78 1.70 5.12 -0.15 -4.39 116.66 109.75 1ds9 n ARG 73 Ca 0.08 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.63 1ds9 n ARG 73 Cb 0.57 -0.17 -0.13 0.00 -1.16 0.00 0.00 32.46 31.57 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ds9 s ILE 74 N -1.66 4.03 -0.48 0.55 1.09 -0.56 -1.37 121.20 122.79 1ds9 s ILE 74 Ca 0.00 -0.43 -0.03 0.00 -1.10 0.00 0.00 60.65 59.08 1ds9 s ILE 74 Cb 0.00 -2.96 0.13 0.00 -1.06 0.00 0.00 42.46 38.57 1ds9 s ILE 74 CO 0.00 0.25 0.29 -0.22 -0.10 0.00 0.00 174.94 175.16 1ds9 s LEU 75 N 1.55 5.29 -0.37 2.97 2.96 0.15 -1.49 118.68 129.74 1ds9 s LEU 75 Ca 0.05 -2.27 -0.22 0.00 -0.22 0.00 0.00 54.13 51.47 1ds9 s LEU 75 Cb -0.16 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1ds9 s LEU 75 CO 0.02 -0.50 0.70 -0.44 -1.32 0.00 0.00 176.35 174.81 1ds9 s SER 76 N 1.56 6.47 0.04 3.68 0.01 0.46 -0.28 113.70 125.63 1ds9 s SER 76 Ca 0.11 0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.56 1ds9 s SER 76 Cb -0.22 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1ds9 s SER 76 CO -0.04 -0.67 -0.04 -0.22 0.41 0.00 0.00 173.24 172.68 1ds9 s LEU 77 N 2.90 2.34 0.00 2.44 0.20 0.15 0.05 118.68 126.76 1ds9 s LEU 77 Ca 0.27 -0.71 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1ds9 s LEU 77 Cb -0.14 0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.72 1ds9 s LEU 77 CO 0.16 -0.40 0.00 0.61 -0.29 0.00 0.00 176.35 176.43 1ds9 n GLY 78 N 0.97 0.00 3.15 7.98 0.00 -1.06 -2.09 105.19 114.14 1ds9 n GLY 78 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1ds9 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ds9 s ARG 79 N -1.31 0.54 0.11 1.61 3.00 0.24 0.76 118.95 123.90 1ds9 s ARG 79 Ca 0.00 0.74 0.09 0.00 -1.00 0.00 0.00 55.73 55.56 1ds9 s ARG 79 Cb 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 34.95 35.30 1ds9 s ARG 79 CO 0.00 -0.81 -0.24 0.54 0.00 0.00 0.00 175.30 174.79 1ds9 s ASN 80 N 2.85 2.88 -0.19 -2.12 2.20 -0.51 -0.66 114.94 119.40 1ds9 s ASN 80 Ca 0.15 -0.71 0.01 0.00 -0.94 0.00 0.00 52.86 51.37 1ds9 s ASN 80 Cb -0.12 -0.18 0.04 0.00 -2.00 0.00 0.00 41.25 38.99 1ds9 s ASN 80 CO -0.23 0.12 -0.12 -0.76 -2.94 0.00 0.00 177.10 173.16 1ds9 s LEU 81 N -1.94 2.17 -0.02 3.54 2.01 -0.54 -1.36 118.68 122.53 1ds9 s LEU 81 Ca 0.10 -0.78 -0.17 0.00 0.01 0.00 0.00 54.13 53.29 1ds9 s LEU 81 Cb -0.10 -1.26 0.03 0.00 0.01 0.00 0.00 46.19 44.86 1ds9 s LEU 81 CO 0.05 -0.11 0.35 -0.51 1.01 0.00 0.00 176.35 177.14 1ds9 s ILE 82 N 1.39 0.05 -0.01 -0.59 1.10 -0.60 -1.47 121.20 121.07 1ds9 s ILE 82 Ca 0.01 -0.40 0.00 0.00 -0.51 0.00 0.00 60.65 59.75 1ds9 s ILE 82 Cb -0.15 -0.65 -0.01 0.00 0.15 0.00 0.00 42.46 41.80 1ds9 s ILE 82 CO -0.09 -0.22 -0.01 1.17 -2.11 0.00 0.00 174.94 173.68 1ds9 n LYS 83 N 1.30 0.24 -4.52 3.50 3.00 -1.26 -3.75 118.16 116.67 1ds9 n LYS 83 Ca -0.21 0.01 -0.31 0.00 -0.00 0.00 0.00 58.31 57.80 1ds9 n LYS 83 Cb 0.56 -1.02 -0.12 0.00 0.00 0.00 0.00 35.03 34.45 1ds9 n LYS 83 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1ds9 s LYS 84 N -2.02 2.18 -0.13 1.64 3.01 -1.26 -4.20 119.74 118.96 1ds9 s LYS 84 Ca -0.01 -0.94 0.02 0.00 -1.01 0.00 0.00 55.97 54.03 1ds9 s LYS 84 Cb 0.00 -2.28 0.01 0.00 -1.01 0.00 0.00 37.83 34.56 1ds9 s LYS 84 CO 0.03 0.55 -0.19 0.42 0.51 0.00 0.00 175.35 176.66 1ds9 s ILE 85 N -1.00 1.84 -0.15 2.17 -1.09 -1.26 -4.91 121.20 116.79 1ds9 s ILE 85 Ca 0.16 -0.85 0.14 0.00 -2.23 0.00 0.00 60.65 57.88 1ds9 s ILE 85 Cb -0.11 -1.64 0.35 0.00 -1.58 0.00 0.00 42.46 39.48 1ds9 s ILE 85 CO 0.07 0.51 1.18 1.21 -1.23 0.00 0.00 174.94 176.68 1ds9 n GLU 86 N 4.09 1.25 -0.60 2.79 0.00 -1.26 -4.65 120.64 122.25 1ds9 n GLU 86 Ca -0.20 -2.81 -0.00 0.00 0.00 0.00 0.00 57.16 54.15 1ds9 n GLU 86 Cb 0.51 -1.37 -0.00 0.00 0.00 0.00 0.00 31.44 30.58 1ds9 n GLU 86 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1ds9 n ASN 87 N -1.02 -0.01 0.09 4.31 6.94 -1.26 -4.73 115.26 119.58 1ds9 n ASN 87 Ca 0.16 -1.53 -0.04 0.00 -0.02 0.00 0.00 54.58 53.15 1ds9 n ASN 87 Cb 0.71 -0.07 0.13 0.00 -2.36 0.00 0.00 39.78 38.19 1ds9 n ASN 87 CO 0.00 0.00 0.00 0.17 -1.03 0.00 0.00 177.26 176.40 1ds9 h LEU 88 N 0.06 0.23 -0.14 -4.53 8.10 -1.91 -1.73 115.31 115.39 1ds9 h LEU 88 Ca -0.06 -0.13 -0.15 0.00 0.11 0.00 0.00 57.88 57.66 1ds9 h LEU 88 Cb 1.24 -0.07 0.01 0.00 -0.44 0.00 0.00 40.66 41.40 1ds9 h LEU 88 CO -0.02 0.77 -0.48 -0.78 -4.11 0.00 0.00 178.44 173.82 1ds9 h ASP 89 N 0.15 0.66 0.41 0.17 1.82 -1.92 0.34 116.42 118.05 1ds9 h ASP 89 Ca -0.01 -0.61 -0.02 0.00 -0.39 0.00 0.00 57.03 56.00 1ds9 h ASP 89 Cb 1.10 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1ds9 h ASP 89 CO 0.09 1.16 -0.20 0.00 -1.61 0.00 0.00 179.24 178.68 1ds9 h ALA 90 N 0.52 -0.55 -0.98 -0.78 0.00 -1.87 0.39 119.26 115.99 1ds9 h ALA 90 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ds9 h ALA 90 Cb 1.11 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1ds9 h ALA 90 CO 0.10 -0.71 0.63 -0.39 0.00 0.00 0.00 179.25 178.88 1ds9 h VAL 91 N -0.74 1.26 0.00 0.00 -1.51 -1.39 0.36 116.25 114.23 1ds9 h VAL 91 Ca -0.06 -0.50 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1ds9 h VAL 91 Cb 0.52 -0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 29.50 1ds9 h VAL 91 CO 0.09 0.26 -0.13 0.00 -1.23 0.00 0.00 177.57 176.56 1ds9 h ALA 92 N 1.36 1.10 0.21 5.19 0.00 -0.72 0.43 119.26 126.83 1ds9 h ALA 92 Ca 0.36 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 1ds9 h ALA 92 Cb -0.12 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.67 1ds9 h ALA 92 CO -0.07 0.16 -1.44 -0.44 0.00 0.00 0.00 179.25 177.46 1ds9 h ASP 93 N 0.00 0.69 0.00 0.00 3.32 0.19 -3.43 116.42 117.19 1ds9 h ASP 93 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1ds9 h ASP 93 Cb 0.51 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ds9 h ASP 93 CO 0.02 1.67 -0.89 1.07 -1.72 0.00 0.00 179.24 179.39 1ds9 n THR 94 N -3.78 0.00 -0.86 0.35 5.66 -0.54 -5.05 114.28 110.05 1ds9 n THR 94 Ca -0.19 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.50 1ds9 n THR 94 Cb 1.03 -0.83 0.14 0.00 -1.55 0.00 0.00 70.33 69.13 1ds9 n THR 94 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1ds9 s LEU 95 N -3.83 2.90 0.00 1.09 1.98 0.15 -4.91 118.68 116.06 1ds9 s LEU 95 Ca 0.00 2.08 0.00 0.00 -2.89 0.00 0.00 54.13 53.32 1ds9 s LEU 95 Cb 0.00 -4.55 0.00 0.00 0.66 0.00 0.00 46.19 42.30 1ds9 s LEU 95 CO 0.00 -2.79 0.00 -0.62 -1.89 0.00 0.00 176.35 171.05 1ds9 n GLU 96 N -4.02 0.00 -3.46 1.98 1.02 -1.24 -4.73 120.64 110.18 1ds9 n GLU 96 Ca 0.11 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 1ds9 n GLU 96 Cb 0.52 -0.22 -0.10 0.00 -0.02 0.00 0.00 31.44 31.62 1ds9 n GLU 96 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ds9 s GLU 97 N -1.15 3.31 -0.46 3.49 2.02 -0.47 -1.80 118.70 123.64 1ds9 s GLU 97 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1ds9 s GLU 97 Cb 0.00 -3.88 0.14 0.00 0.10 0.00 0.00 34.13 30.50 1ds9 s GLU 97 CO 0.00 -0.59 0.27 -0.51 0.02 0.00 0.00 175.26 174.45 1ds9 s LEU 98 N 1.81 2.67 -0.37 1.80 1.02 -0.48 0.29 118.68 125.42 1ds9 s LEU 98 Ca 0.07 -2.77 -0.24 0.00 0.02 0.00 0.00 54.13 51.21 1ds9 s LEU 98 Cb -0.18 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.05 1ds9 s LEU 98 CO 0.11 -0.24 0.82 0.26 0.02 0.00 0.00 176.35 177.32 1ds9 s TRP 99 N 0.18 3.10 -0.06 0.29 0.51 0.61 -1.14 118.94 122.43 1ds9 s TRP 99 Ca 0.20 0.58 0.01 0.00 -2.12 0.00 0.00 56.10 54.78 1ds9 s TRP 99 Cb -0.19 -3.48 0.02 0.00 -0.81 0.00 0.00 33.47 29.01 1ds9 s TRP 99 CO -0.04 -0.77 -0.08 0.42 -0.51 0.00 0.00 176.95 175.97 1ds9 s ILE 100 N 3.20 0.85 -0.18 2.03 1.01 0.03 0.33 121.20 128.47 1ds9 s ILE 100 Ca 0.33 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1ds9 s ILE 100 Cb -0.13 -0.82 -0.21 0.00 0.01 0.00 0.00 42.46 41.31 1ds9 s ILE 100 CO 0.18 0.30 0.28 -1.28 0.00 0.00 0.00 174.94 174.42 1ds9 h SER 101 N 7.21 0.11 -3.89 3.58 0.87 -1.54 -2.66 113.55 117.22 1ds9 h SER 101 Ca -0.33 -0.64 -0.46 0.00 -1.23 0.00 0.00 61.79 59.13 1ds9 h SER 101 Cb 1.17 -0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 62.78 1ds9 h SER 101 CO 0.46 1.57 -0.80 -0.47 -0.53 0.00 0.00 176.83 177.06 1ds9 s TYR 102 N -2.41 1.14 -0.27 2.24 6.14 0.23 0.10 117.35 124.52 1ds9 s TYR 102 Ca -0.27 -0.28 -0.24 0.00 0.64 0.00 0.00 57.07 56.92 1ds9 s TYR 102 Cb 0.06 -0.78 0.07 0.00 0.42 0.00 0.00 41.96 41.72 1ds9 s TYR 102 CO 0.64 -0.10 0.72 0.54 0.64 0.00 0.00 175.55 178.00 1ds9 s ASN 103 N 0.07 -0.76 -0.24 4.32 4.22 -0.11 -1.42 114.94 121.03 1ds9 s ASN 103 Ca -0.02 1.44 -0.00 0.00 -2.14 0.00 0.00 52.86 52.14 1ds9 s ASN 103 Cb -0.08 1.45 0.03 0.00 1.28 0.00 0.00 41.25 43.93 1ds9 s ASN 103 CO 0.01 -0.25 -0.09 -1.10 -2.04 0.00 0.00 177.10 173.63 1ds9 s GLN 104 N 0.48 2.74 0.20 3.55 -0.21 -0.46 0.77 119.66 126.73 1ds9 s GLN 104 Ca -0.01 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 1ds9 s GLN 104 Cb -0.05 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1ds9 s GLN 104 CO -0.01 -0.41 0.14 0.96 -2.12 0.00 0.00 175.29 173.86 1ds9 s ILE 105 N 1.28 0.01 0.00 1.08 -4.36 -0.80 -1.56 121.20 116.84 1ds9 s ILE 105 Ca -0.01 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 1ds9 s ILE 105 Cb -0.17 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.11 1ds9 s ILE 105 CO -0.06 -0.03 0.80 0.00 0.24 0.00 0.00 174.94 175.89 1ds9 n ALA 106 N -0.26 2.81 -2.69 2.27 0.00 -1.26 -4.26 120.51 117.11 1ds9 n ALA 106 Ca 0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 1ds9 n ALA 106 Cb 0.66 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 1ds9 n ALA 106 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ds9 s SER 107 N -0.65 6.48 -0.03 0.00 0.01 -1.26 -4.99 113.70 113.26 1ds9 s SER 107 Ca 0.02 0.56 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 1ds9 s SER 107 Cb 0.03 -2.23 -0.14 0.00 0.21 0.00 0.00 66.02 63.89 1ds9 s SER 107 CO -0.01 -0.02 0.91 -0.07 0.41 0.00 0.00 173.24 174.46 1ds9 h LEU 108 N 7.22 -0.36 -1.03 2.44 4.07 -1.99 -1.26 115.31 124.39 1ds9 h LEU 108 Ca -0.38 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.31 1ds9 h LEU 108 Cb 1.17 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1ds9 h LEU 108 CO 0.73 0.09 -0.37 0.28 -1.08 0.00 0.00 178.44 178.10 1ds9 h SER 109 N -0.95 0.23 0.82 -0.43 0.02 -1.98 -1.47 113.55 109.77 1ds9 h SER 109 Ca -0.04 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 1ds9 h SER 109 Cb 0.51 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.99 1ds9 h SER 109 CO 0.07 0.58 -0.39 1.23 -1.14 0.00 0.00 176.83 177.18 1ds9 h GLY 110 N 1.15 -1.14 1.00 -3.77 0.00 -1.91 -1.23 103.07 97.16 1ds9 h GLY 110 Ca 0.02 0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1ds9 h GLY 110 CO 0.06 -0.42 0.36 0.16 0.00 0.00 0.00 176.54 176.70 1ds9 h ILE 111 N -1.20 1.21 -0.61 2.60 -0.00 -1.22 -1.09 117.51 117.21 1ds9 h ILE 111 Ca -0.11 -0.52 0.08 0.00 -0.00 0.00 0.00 64.86 64.31 1ds9 h ILE 111 Cb 0.85 0.35 -0.06 0.00 -0.00 0.00 0.00 36.82 37.96 1ds9 h ILE 111 CO 0.18 0.23 0.28 -0.08 -0.00 0.00 0.00 178.15 178.76 1ds9 h GLU 112 N 0.89 0.49 0.19 0.16 4.81 -1.20 0.43 114.58 120.36 1ds9 h GLU 112 Ca 0.23 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1ds9 h GLU 112 Cb 0.04 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ds9 h GLU 112 CO -0.04 0.32 -0.09 0.87 -0.73 0.00 0.00 179.01 179.34 1ds9 h LYS 113 N 0.50 -0.25 -0.70 1.92 1.57 -0.96 -1.06 116.57 117.59 1ds9 h LYS 113 Ca 0.30 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 1ds9 h LYS 113 Cb 0.30 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1ds9 h LYS 113 CO -0.25 -0.06 0.46 1.25 -0.57 0.00 0.00 179.45 180.28 1ds9 h LEU 114 N -1.04 0.54 -0.04 2.94 6.46 -1.19 0.16 115.31 123.13 1ds9 h LEU 114 Ca -0.03 0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.65 1ds9 h LEU 114 Cb 0.30 -0.10 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1ds9 h LEU 114 CO 0.04 0.33 -0.34 1.62 -0.62 0.00 0.00 178.44 179.47 1ds9 h VAL 115 N 0.60 1.46 0.00 1.05 3.04 -0.23 -2.91 116.25 119.26 1ds9 h VAL 115 Ca 0.32 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1ds9 h VAL 115 Cb 0.46 2.48 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 1ds9 h VAL 115 CO -0.11 0.52 0.00 -1.13 -1.01 0.00 0.00 177.57 175.84 1ds9 h ASN 116 N -0.24 0.00 0.00 3.17 -1.24 -0.43 -3.37 115.58 113.47 1ds9 h ASN 116 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1ds9 h ASN 116 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1ds9 h ASN 116 CO 0.07 0.00 0.00 -0.11 -1.29 0.00 0.00 177.43 176.10 1ds9 n LEU 117 N -2.69 0.00 0.00 0.34 7.94 0.48 -4.80 117.00 118.27 1ds9 n LEU 117 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1ds9 n LEU 117 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1ds9 n LEU 117 CO 0.18 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.32 1ds9 n ARG 118 N 0.00 0.00 -4.01 1.96 0.63 -1.26 -4.89 116.66 109.09 1ds9 n ARG 118 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 1ds9 n ARG 118 Cb 0.00 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.75 1ds9 n ARG 118 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1ds9 s VAL 119 N -0.34 1.54 -0.05 5.15 0.11 -0.74 -1.36 120.40 124.71 1ds9 s VAL 119 Ca 0.00 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 1ds9 s VAL 119 Cb 0.00 -1.47 0.02 0.00 -1.53 0.00 0.00 36.38 33.41 1ds9 s VAL 119 CO 0.00 0.42 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.95 1ds9 s LEU 120 N 1.50 1.16 -0.14 2.54 0.20 -0.60 -1.39 118.68 121.96 1ds9 s LEU 120 Ca 0.04 -0.10 -0.08 0.00 0.69 0.00 0.00 54.13 54.69 1ds9 s LEU 120 Cb -0.13 -0.40 -0.04 0.00 -0.43 0.00 0.00 46.19 45.19 1ds9 s LEU 120 CO -0.10 -0.09 0.15 -0.31 -0.29 0.00 0.00 176.35 175.71 1ds9 s TYR 121 N 1.13 3.56 -0.40 5.38 1.51 -0.29 -1.27 117.35 126.96 1ds9 s TYR 121 Ca -0.08 0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.53 1ds9 s TYR 121 Cb -0.14 -2.01 0.17 0.00 -0.11 0.00 0.00 41.96 39.87 1ds9 s TYR 121 CO -0.01 0.63 0.48 -1.64 -1.11 0.00 0.00 175.55 173.89 1ds9 s MET 122 N -0.69 0.77 0.03 -0.62 -1.94 0.19 -0.79 119.30 116.25 1ds9 s MET 122 Ca 0.14 -0.88 0.26 0.00 -1.71 0.00 0.00 55.69 53.50 1ds9 s MET 122 Cb -0.12 -0.51 0.66 0.00 2.01 0.00 0.00 34.83 36.87 1ds9 s MET 122 CO 0.03 -1.23 1.53 -1.13 -0.01 0.00 0.00 175.02 174.21 1ds9 n SER 123 N 3.97 0.43 -2.95 3.03 3.41 -1.08 -1.44 113.62 118.99 1ds9 n SER 123 Ca 0.14 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.63 1ds9 n SER 123 Cb 0.50 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1ds9 n SER 123 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ds9 n ASN 124 N -1.63 -0.97 -4.94 4.04 3.02 0.29 -2.33 115.26 112.73 1ds9 n ASN 124 Ca 0.05 -3.32 -0.24 0.00 -0.03 0.00 0.00 54.58 51.04 1ds9 n ASN 124 Cb 0.36 0.73 0.02 0.00 -0.61 0.00 0.00 39.78 40.28 1ds9 n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ds9 s ASN 125 N -1.75 5.67 -0.31 6.41 4.22 0.30 -0.93 114.94 128.54 1ds9 s ASN 125 Ca 0.31 0.38 0.02 0.00 -2.14 0.00 0.00 52.86 51.43 1ds9 s ASN 125 Cb 0.30 -1.49 0.09 0.00 1.28 0.00 0.00 41.25 41.43 1ds9 s ASN 125 CO -0.08 -0.89 0.05 -0.75 -2.04 0.00 0.00 177.10 173.39 1ds9 s LYS 126 N -4.73 1.24 -0.10 3.55 2.20 0.23 -3.73 119.74 118.41 1ds9 s LYS 126 Ca 0.51 -1.44 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 1ds9 s LYS 126 Cb -0.10 -2.67 0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1ds9 s LYS 126 CO 0.40 -0.89 0.21 0.42 -0.36 0.00 0.00 175.35 175.13 1ds9 s ILE 127 N 1.24 -0.16 -0.15 5.43 1.01 -1.26 -1.91 121.20 125.40 1ds9 s ILE 127 Ca 0.07 0.22 0.15 0.00 0.00 0.00 0.00 60.65 61.09 1ds9 s ILE 127 Cb -0.18 -0.34 0.39 0.00 0.01 0.00 0.00 42.46 42.33 1ds9 s ILE 127 CO -0.14 0.09 1.19 0.35 0.00 0.00 0.00 174.94 176.44 1ds9 n THR 128 N 4.66 1.60 -2.14 2.92 -2.24 -1.26 -1.48 114.28 116.34 1ds9 n THR 128 Ca -0.18 -2.51 -0.36 0.00 -2.27 0.00 0.00 64.05 58.73 1ds9 n THR 128 Cb 0.51 0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1ds9 n THR 128 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ds9 n ASN 129 N -0.75 6.68 -0.22 3.42 2.85 -1.26 -4.79 115.26 121.19 1ds9 n ASN 129 Ca 0.15 -3.80 0.03 0.00 -0.11 0.00 0.00 54.58 50.85 1ds9 n ASN 129 Cb 0.79 -0.90 0.14 0.00 1.24 0.00 0.00 39.78 41.05 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 1ds9 h TRP 130 N 2.95 0.12 -1.46 1.20 7.01 -1.94 0.28 115.95 124.11 1ds9 h TRP 130 Ca 0.48 0.04 0.48 0.00 2.11 0.00 0.00 58.89 62.01 1ds9 h TRP 130 Cb 0.29 0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.28 1ds9 h TRP 130 CO 1.08 -0.12 0.96 0.78 -2.79 0.00 0.00 178.44 178.36 1ds9 h GLY 131 N 0.20 1.15 0.00 2.65 0.00 -2.01 -1.61 103.07 103.45 1ds9 h GLY 131 Ca 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1ds9 h GLY 131 CO -0.51 -0.39 -0.66 -2.21 0.00 0.00 0.00 176.54 172.76 1ds9 n GLU 132 N -4.60 0.00 -0.04 4.80 4.07 -0.76 -4.74 120.64 119.36 1ds9 n GLU 132 Ca 0.40 0.00 0.24 0.00 -0.06 0.00 0.00 57.16 57.75 1ds9 n GLU 132 Cb 1.61 -0.37 0.72 0.00 -0.06 0.00 0.00 31.44 33.34 1ds9 n GLU 132 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1ds9 h ILE 133 N 0.00 0.46 -0.01 6.31 2.04 -0.51 0.13 117.51 125.92 1ds9 h ILE 133 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ds9 h ILE 133 Cb 0.66 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ds9 h ILE 133 CO 0.00 0.00 -0.04 -0.78 0.00 0.00 0.00 178.15 177.33 1ds9 h ASP 134 N 0.00 -0.12 0.14 1.72 3.58 -1.39 -0.52 116.42 119.82 1ds9 h ASP 134 Ca 0.31 0.01 -0.33 0.00 0.42 0.00 0.00 57.03 57.44 1ds9 h ASP 134 Cb 1.42 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 42.52 1ds9 h ASP 134 CO -0.00 -0.03 -1.73 0.50 -2.88 0.00 0.00 179.24 175.09 1ds9 h LYS 135 N -0.04 0.30 -0.44 0.28 3.11 -1.77 -3.34 116.57 114.67 1ds9 h LYS 135 Ca 0.00 -0.51 0.13 0.00 -2.81 0.00 0.00 60.65 57.46 1ds9 h LYS 135 Cb 0.05 0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 1ds9 h LYS 135 CO -0.03 1.24 0.58 1.25 -2.81 0.00 0.00 179.45 179.68 1ds9 h LEU 136 N -0.06 0.00 -4.32 5.20 5.85 -0.81 -1.68 115.31 119.49 1ds9 h LEU 136 Ca -0.36 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.07 1ds9 h LEU 136 Cb 1.96 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.95 1ds9 h LEU 136 CO 0.10 0.00 0.67 0.00 -0.34 0.00 0.00 178.44 178.87 1ds9 n ALA 137 N -2.22 6.31 -2.12 1.25 0.00 -0.21 -4.62 120.51 118.90 1ds9 n ALA 137 Ca 0.08 -2.11 -0.09 0.00 0.00 0.00 0.00 53.44 51.32 1ds9 n ALA 137 Cb 0.75 -2.57 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 1ds9 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 n ALA 138 N 2.82 -0.64 0.33 0.00 0.00 -1.08 -4.65 120.51 117.29 1ds9 n ALA 138 Ca 0.49 0.10 0.21 0.00 0.00 0.00 0.00 53.44 54.24 1ds9 n ALA 138 Cb 0.70 -1.21 1.11 0.00 0.00 0.00 0.00 19.45 20.04 1ds9 n ALA 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ds9 h LEU 139 N 0.00 0.00 -3.61 0.00 5.85 -1.53 0.20 115.31 116.23 1ds9 h LEU 139 Ca -0.22 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 1ds9 h LEU 139 Cb 1.01 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1ds9 h LEU 139 CO 0.27 0.00 0.08 0.47 -0.34 0.00 0.00 178.44 178.92 1ds9 n ASP 140 N -3.13 5.41 0.09 1.25 8.00 -1.26 -4.72 116.55 122.19 1ds9 n ASP 140 Ca -0.02 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1ds9 n ASP 140 Cb 0.12 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.52 1ds9 n ASP 140 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1ds9 n LYS 141 N 0.34 0.00 0.00 -1.24 0.00 -0.49 -4.74 118.16 112.02 1ds9 n LYS 141 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.62 1ds9 n LYS 141 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.28 1ds9 n LYS 141 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1ds9 n LEU 142 N -2.86 0.00 0.00 3.14 0.00 0.60 0.69 117.00 118.56 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1ds9 n LEU 142 CO 0.00 0.00 0.30 -0.62 0.00 0.00 0.00 177.39 177.07 1ds9 n GLU 143 N 0.00 0.00 -4.86 1.96 1.02 -1.25 -3.72 120.64 113.78 1ds9 n GLU 143 Ca 0.00 0.31 -0.33 0.00 -0.02 0.00 0.00 57.16 57.12 1ds9 n GLU 143 Cb 0.00 -1.11 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 1ds9 n GLU 143 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ds9 s ASP 144 N -2.40 3.90 -0.22 1.62 -1.08 -0.46 0.53 116.67 118.55 1ds9 s ASP 144 Ca 0.00 -0.32 -0.16 0.00 -0.52 0.00 0.00 52.55 51.54 1ds9 s ASP 144 Cb 0.00 -1.38 0.06 0.00 -1.46 0.00 0.00 42.92 40.14 1ds9 s ASP 144 CO 0.00 0.21 0.56 -0.22 0.52 0.00 0.00 175.17 176.25 1ds9 s LEU 145 N 0.07 -0.36 -0.21 -1.34 2.96 -0.02 -1.55 118.68 118.22 1ds9 s LEU 145 Ca -0.06 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 1ds9 s LEU 145 Cb -0.15 1.93 0.03 0.00 0.50 0.00 0.00 46.19 48.50 1ds9 s LEU 145 CO 0.05 -0.21 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.49 1ds9 s LEU 146 N 0.91 2.68 -0.36 -0.68 2.96 -0.40 0.25 118.68 124.04 1ds9 s LEU 146 Ca -0.05 -0.93 0.02 0.00 -0.22 0.00 0.00 54.13 52.96 1ds9 s LEU 146 Cb -0.05 -1.52 0.11 0.00 0.50 0.00 0.00 46.19 45.22 1ds9 s LEU 146 CO -0.08 -0.08 0.11 -0.76 -1.32 0.00 0.00 176.35 174.22 1ds9 s LEU 147 N 1.23 3.60 -0.37 -0.68 1.02 -1.23 0.55 118.68 122.79 1ds9 s LEU 147 Ca -0.00 -2.10 0.13 0.00 0.02 0.00 0.00 54.13 52.18 1ds9 s LEU 147 Cb -0.16 -1.29 0.42 0.00 0.02 0.00 0.00 46.19 45.19 1ds9 s LEU 147 CO -0.09 -0.37 0.95 0.00 0.02 0.00 0.00 176.35 176.85 1ds9 n ALA 148 N 4.29 3.61 0.00 4.21 0.00 -0.52 -4.91 120.51 127.18 1ds9 n ALA 148 Ca 0.02 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.93 1ds9 n ALA 148 Cb 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1ds9 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ds9 n GLY 149 N -0.10 -0.98 0.00 0.00 0.00 -0.99 -4.39 105.19 98.73 1ds9 n GLY 149 Ca 0.20 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1ds9 n GLY 149 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ds9 n ASN 150 N 0.00 0.00 -0.18 1.61 0.23 -1.24 0.11 115.26 115.79 1ds9 n ASN 150 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.00 1ds9 n ASN 150 Cb 0.00 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 37.82 1ds9 n ASN 150 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1ds9 h PRO 151 N 0.00 0.95 0.06 -0.53 0.13 -1.80 -0.28 132.00 130.52 1ds9 h PRO 151 Ca 0.00 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1ds9 h PRO 151 Cb 0.00 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.00 1ds9 h PRO 151 CO 0.00 0.87 -0.06 1.25 -0.23 0.00 0.00 178.00 179.84 1ds9 h LEU 152 N 0.90 -0.15 -0.18 1.56 5.85 -1.62 0.84 115.31 122.50 1ds9 h LEU 152 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1ds9 h LEU 152 Cb 0.38 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1ds9 h LEU 152 CO 0.01 -0.07 0.05 0.22 -0.34 0.00 0.00 178.44 178.31 1ds9 h TYR 153 N -0.11 0.10 -0.11 1.25 3.20 -1.85 -0.57 116.97 118.87 1ds9 h TYR 153 Ca -0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1ds9 h TYR 153 Cb 0.10 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1ds9 h TYR 153 CO -0.08 0.04 0.10 -0.91 -1.64 0.00 0.00 178.16 175.67 1ds9 h ASN 154 N 0.14 0.00 -0.08 -2.11 -0.26 -0.99 -1.04 115.58 111.24 1ds9 h ASN 154 Ca 0.08 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1ds9 h ASN 154 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1ds9 h ASN 154 CO -0.09 0.00 -0.16 0.44 -1.06 0.00 0.00 177.43 176.56 1ds9 h ASP 155 N 0.00 0.28 0.47 5.81 5.19 0.23 -3.26 116.42 125.13 1ds9 h ASP 155 Ca 0.05 -0.57 -0.01 0.00 -0.62 0.00 0.00 57.03 55.88 1ds9 h ASP 155 Cb 0.26 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1ds9 h ASP 155 CO -0.00 0.79 -0.48 0.22 -3.12 0.00 0.00 179.24 176.65 1ds9 h TYR 156 N -0.23 -1.32 0.00 4.55 5.03 -0.40 -3.45 116.97 121.14 1ds9 h TYR 156 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1ds9 h TYR 156 Cb 0.75 0.51 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1ds9 h TYR 156 CO 0.11 -0.64 0.00 1.17 -1.32 0.00 0.00 178.16 177.48 1ds9 n LYS 157 N -5.55 0.00 -0.21 1.82 3.00 -0.69 -4.72 118.16 111.82 1ds9 n LYS 157 Ca -0.12 0.00 0.30 0.00 -0.00 0.00 0.00 58.31 58.49 1ds9 n LYS 157 Cb 0.45 0.00 0.54 0.00 0.00 0.00 0.00 35.03 36.02 1ds9 n LYS 157 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ds9 h GLU 158 N 0.00 0.00 -0.05 1.64 4.11 -1.70 -1.78 114.58 116.80 1ds9 h GLU 158 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 1ds9 h GLU 158 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1ds9 h GLU 158 CO 0.00 0.00 -0.93 -1.71 0.07 0.00 0.00 179.01 176.44 1ds9 n ASN 159 N -3.43 0.74 0.00 3.06 2.85 -1.26 -4.83 115.26 112.39 1ds9 n ASN 159 Ca 0.23 -2.01 0.00 0.00 -0.11 0.00 0.00 54.58 52.69 1ds9 n ASN 159 Cb 1.41 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 42.21 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1ds9 n ASN 160 N 0.25 0.00 0.27 1.20 5.15 -0.67 -4.77 115.26 116.69 1ds9 n ASN 160 Ca 0.01 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.17 1ds9 n ASN 160 Cb 1.04 0.00 0.94 0.00 -0.53 0.00 0.00 39.78 41.23 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ds9 h ALA 161 N 0.00 1.00 0.38 5.20 0.00 -1.84 -2.51 119.26 121.49 1ds9 h ALA 161 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ds9 h ALA 161 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ds9 h ALA 161 CO 0.00 0.00 -0.18 1.15 0.00 0.00 0.00 179.25 180.22 1ds9 h THR 162 N 0.00 0.62 -0.56 0.00 2.02 -1.87 0.84 112.91 113.96 1ds9 h THR 162 Ca 0.00 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1ds9 h THR 162 Cb 0.06 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1ds9 h THR 162 CO 0.00 0.05 0.10 0.28 0.37 0.00 0.00 175.52 176.33 1ds9 h SER 163 N -0.68 0.83 0.12 4.18 0.02 -1.73 -1.36 113.55 114.93 1ds9 h SER 163 Ca -0.05 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 1ds9 h SER 163 Cb 0.48 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1ds9 h SER 163 CO 0.09 0.84 -0.26 -0.33 -1.14 0.00 0.00 176.83 176.03 1ds9 h GLU 164 N 0.84 0.23 0.28 3.45 4.39 -1.23 -1.11 114.58 121.43 1ds9 h GLU 164 Ca 0.18 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1ds9 h GLU 164 Cb 0.35 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1ds9 h GLU 164 CO 0.00 0.48 -0.13 1.88 -1.16 0.00 0.00 179.01 180.08 1ds9 h TYR 165 N 0.21 -0.35 0.32 4.33 0.05 0.18 0.43 116.97 122.15 1ds9 h TYR 165 Ca 0.03 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ds9 h TYR 165 Cb 0.57 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 1ds9 h TYR 165 CO 0.01 -0.06 -0.24 -0.09 -1.05 0.00 0.00 178.16 176.73 1ds9 h ARG 166 N -0.62 -0.54 -0.23 4.88 1.12 -1.14 0.12 114.38 117.97 1ds9 h ARG 166 Ca -0.04 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.89 1ds9 h ARG 166 Cb 0.45 0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.50 1ds9 h ARG 166 CO 0.06 -0.36 0.07 0.82 -3.11 0.00 0.00 179.97 177.45 1ds9 h ILE 167 N -0.56 0.93 -0.65 1.20 2.04 -1.22 -1.07 117.51 118.19 1ds9 h ILE 167 Ca -0.03 -0.06 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1ds9 h ILE 167 Cb 0.48 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1ds9 h ILE 167 CO 0.00 0.03 0.43 -0.08 0.00 0.00 0.00 178.15 178.53 1ds9 h GLU 168 N 0.17 0.59 0.24 2.37 4.57 0.12 -0.08 114.58 122.55 1ds9 h GLU 168 Ca 0.10 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1ds9 h GLU 168 Cb 0.08 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1ds9 h GLU 168 CO -0.11 0.39 -0.12 0.28 -1.18 0.00 0.00 179.01 178.27 1ds9 h VAL 169 N 0.61 0.00 -0.58 0.32 2.07 0.45 -1.35 116.25 117.76 1ds9 h VAL 169 Ca 0.29 -0.09 0.17 0.00 0.82 0.00 0.00 66.70 67.89 1ds9 h VAL 169 Cb 0.34 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1ds9 h VAL 169 CO -0.09 0.00 0.64 1.62 0.02 0.00 0.00 177.57 179.76 1ds9 h VAL 170 N -0.41 0.28 0.11 2.57 3.04 -1.08 0.56 116.25 121.32 1ds9 h VAL 170 Ca -0.03 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1ds9 h VAL 170 Cb 0.25 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1ds9 h VAL 170 CO 0.05 0.00 -0.05 0.50 -1.01 0.00 0.00 177.57 177.06 1ds9 h LYS 171 N 0.00 -0.14 0.00 4.17 3.64 -0.78 -3.43 116.57 120.04 1ds9 h LYS 171 Ca 0.28 0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 59.32 1ds9 h LYS 171 Cb 1.55 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.33 1ds9 h LYS 171 CO -0.00 -0.09 -2.31 0.54 -2.27 0.00 0.00 179.45 175.32 1ds9 n ARG 172 N -2.91 0.79 -1.68 1.90 5.12 -0.53 -4.95 116.66 114.40 1ds9 n ARG 172 Ca -0.02 0.06 -0.45 0.00 -1.93 0.00 0.00 57.85 55.52 1ds9 n ARG 172 Cb 0.06 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 29.85 1ds9 n ARG 172 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ds9 n LEU 173 N -2.94 3.74 -0.07 0.55 7.99 0.19 -4.90 117.00 121.57 1ds9 n LEU 173 Ca -0.36 0.97 -0.04 0.00 -0.01 0.00 0.00 56.01 56.57 1ds9 n LEU 173 Cb 1.02 -1.46 -0.01 0.00 -0.11 0.00 0.00 43.42 42.86 1ds9 n LEU 173 CO 0.31 0.04 -0.27 1.55 -1.51 0.00 0.00 177.39 177.51 1ds9 h PRO 174 N 9.07 0.00 0.01 3.23 0.13 -1.86 -3.42 132.00 139.15 1ds9 h PRO 174 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ds9 h PRO 174 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ds9 h PRO 174 CO 0.94 0.00 -0.00 -0.91 -0.23 0.00 0.00 178.00 177.80 1ds9 h ASN 175 N -1.00 -0.01 0.00 1.44 2.35 -1.85 -3.45 115.58 113.06 1ds9 h ASN 175 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ds9 h ASN 175 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1ds9 h ASN 175 CO 0.00 -0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.67 1ds9 n LEU 176 N -2.03 0.00 -0.07 1.61 -0.00 0.22 -4.75 117.00 111.98 1ds9 n LEU 176 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 1ds9 n LEU 176 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1ds9 n LEU 176 CO 0.00 0.00 -0.95 1.17 -0.00 0.00 0.00 177.39 177.61 1ds9 n LYS 177 N 0.00 1.67 -3.13 1.96 4.81 0.19 -4.88 118.16 118.77 1ds9 n LYS 177 Ca 0.00 0.01 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1ds9 n LYS 177 Cb 0.00 -1.34 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 1ds9 n LYS 177 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ds9 s LYS 178 N -2.32 0.88 -1.15 1.64 -0.14 0.32 -4.97 119.74 114.00 1ds9 s LYS 178 Ca -0.08 -1.08 -0.16 0.00 -1.36 0.00 0.00 55.97 53.29 1ds9 s LYS 178 Cb 0.04 -0.48 0.13 0.00 -1.68 0.00 0.00 37.83 35.85 1ds9 s LYS 178 CO 0.53 -1.28 1.42 -1.17 -0.76 0.00 0.00 175.35 174.09 1ds9 s LEU 179 N 1.03 4.70 -0.80 3.17 2.96 -1.26 -0.84 118.68 127.65 1ds9 s LEU 179 Ca 0.24 -2.56 -0.02 0.00 -0.22 0.00 0.00 54.13 51.58 1ds9 s LEU 179 Cb -0.04 -2.45 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1ds9 s LEU 179 CO -0.08 -0.96 0.73 -0.67 -1.32 0.00 0.00 176.35 174.06 1ds9 n ASP 180 N 6.62 -7.19 -0.08 3.68 2.03 0.14 -4.25 116.55 117.51 1ds9 n ASP 180 Ca 0.36 -0.25 0.06 0.00 0.52 0.00 0.00 54.79 55.48 1ds9 n ASP 180 Cb 0.45 -5.07 0.35 0.00 -0.72 0.00 0.00 41.12 36.13 1ds9 n ASP 180 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ds9 n GLY 181 N -1.58 -0.82 0.26 0.27 0.00 -1.26 -4.22 105.19 97.84 1ds9 n GLY 181 Ca -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1ds9 n GLY 181 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ds9 h MET 182 N 0.28 0.24 -0.92 1.61 -1.53 -1.93 -0.94 114.93 111.75 1ds9 h MET 182 Ca 0.00 -0.01 -0.07 0.00 -3.44 0.00 0.00 59.70 56.17 1ds9 h MET 182 Cb 0.06 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 31.01 1ds9 h MET 182 CO 0.00 0.16 0.09 -0.35 0.14 0.00 0.00 176.91 176.95 1ds9 n PRO 183 N -5.17 1.90 0.19 0.39 -0.04 -1.26 -4.45 135.00 126.56 1ds9 n PRO 183 Ca 0.13 -1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 62.45 1ds9 n PRO 183 Cb 0.44 -1.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1ds9 n PRO 183 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ds9 h VAL 184 N 0.88 0.61 -6.14 0.52 2.07 -1.47 -3.43 116.25 109.29 1ds9 h VAL 184 Ca 0.09 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.14 1ds9 h VAL 184 Cb 1.25 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1ds9 h VAL 184 CO 0.24 0.00 -0.73 0.47 0.02 0.00 0.00 177.57 177.58 1ds9 n ASP 185 N -5.31 -4.41 -2.01 0.57 9.92 -1.26 -0.91 116.55 113.15 1ds9 n ASP 185 Ca -0.09 -0.72 -0.07 0.00 -0.53 0.00 0.00 54.79 53.37 1ds9 n ASP 185 Cb 0.22 -3.55 -0.01 0.00 -0.64 0.00 0.00 41.12 37.14 1ds9 n ASP 185 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ds9 n VAL 186 N -4.48 -0.21 -0.04 2.53 0.24 -1.26 -4.73 118.33 110.39 1ds9 n VAL 186 Ca 0.03 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.38 1ds9 n VAL 186 Cb 0.52 -0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 31.85 1ds9 n VAL 186 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ds9 n ASP 187 N -0.99 0.19 0.13 -1.34 -0.08 -0.08 -4.22 116.55 110.15 1ds9 n ASP 187 Ca -0.08 0.00 0.17 0.00 -1.51 0.00 0.00 54.79 53.37 1ds9 n ASP 187 Cb 0.44 1.66 0.74 0.00 2.34 0.00 0.00 41.12 46.30 1ds9 n ASP 187 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1ds9 h GLU 188 N 0.00 0.00 -0.00 -0.67 -0.00 -1.85 0.99 114.58 113.04 1ds9 h GLU 188 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 1ds9 h GLU 188 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.09 1ds9 h GLU 188 CO 0.01 0.00 -0.03 -2.13 -0.00 0.00 0.00 179.01 176.86 1ds9 n ARG 189 N -4.14 0.89 0.04 1.06 3.00 -1.26 -2.47 116.66 113.79 1ds9 n ARG 189 Ca 0.04 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1ds9 n ARG 189 Cb 0.42 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.38 1ds9 n ARG 189 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ds9 n GLU 190 N -0.89 0.03 0.11 -0.14 -0.58 0.29 -4.29 120.64 115.17 1ds9 n GLU 190 Ca 0.19 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.81 1ds9 n GLU 190 Cb 0.21 -0.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.50 1ds9 n GLU 190 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ds9 h GLN 191 N -0.05 -0.30 0.00 3.49 1.08 -0.39 -0.23 115.11 118.71 1ds9 h GLN 191 Ca 0.00 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1ds9 h GLN 191 Cb 0.05 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1ds9 h GLN 191 CO 0.00 0.04 -0.09 0.00 -0.95 0.00 0.00 178.83 177.83 1ds9 h ALA 192 N -0.09 1.22 0.08 3.87 0.00 -1.58 0.49 119.26 123.25 1ds9 h ALA 192 Ca -0.03 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 1ds9 h ALA 192 Cb 0.49 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1ds9 h ALA 192 CO 0.05 0.12 -1.16 -0.91 0.00 0.00 0.00 179.25 177.35 1ds9 h ASN 193 N 0.00 0.76 1.31 0.00 4.21 -1.30 0.54 115.58 121.10 1ds9 h ASN 193 Ca -0.00 -0.68 -0.06 0.00 1.21 0.00 0.00 56.30 56.78 1ds9 h ASN 193 Cb 0.32 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1ds9 h ASN 193 CO 0.01 1.49 -0.27 0.58 -1.29 0.00 0.00 177.43 177.95 1ds9 h VAL 194 N 0.26 0.53 0.01 2.81 2.07 -0.38 -1.12 116.25 120.43 1ds9 h VAL 194 Ca -0.15 -1.44 -0.32 0.00 0.82 0.00 0.00 66.70 65.61 1ds9 h VAL 194 Cb 1.82 2.02 -0.05 0.00 -1.52 0.00 0.00 31.29 33.56 1ds9 h VAL 194 CO 0.21 0.26 -1.90 0.00 0.02 0.00 0.00 177.57 176.17 1ds9 n ALA 195 N -2.20 1.47 0.01 1.67 0.00 0.10 -1.34 120.51 120.22 1ds9 n ALA 195 Ca 0.01 -0.90 -0.18 0.00 0.00 0.00 0.00 53.44 52.37 1ds9 n ALA 195 Cb 0.54 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1ds9 n ALA 195 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ds9 h ARG 196 N 0.00 0.54 0.00 0.00 2.43 0.11 -3.37 114.38 114.09 1ds9 h ARG 196 Ca -0.36 -0.55 -0.22 0.00 -0.81 0.00 0.00 59.98 58.05 1ds9 h ARG 196 Cb 2.07 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.73 1ds9 h ARG 196 CO 0.07 1.17 -1.26 0.41 -1.51 0.00 0.00 179.97 178.85 1ds9 n GLY 197 N 0.99 -0.83 0.00 2.80 0.00 -0.43 -5.06 105.19 102.66 1ds9 n GLY 197 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ds9 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93