#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 2.17 -3.00 -5.12 0.00 -1.24 -3.60 120.51 109.72 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 -2.78 1.30 -2.75 0.00 4.81 -1.26 -4.53 118.16 112.94 1ds9 n LYS 3 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 1ds9 n LYS 3 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1ds9 n LYS 3 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ds9 n ALA 4 N -3.00 -1.65 -1.83 3.14 0.00 -1.26 -4.64 120.51 111.26 1ds9 n ALA 4 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1ds9 n ALA 4 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1ds9 n ALA 4 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ds9 n THR 5 N 2.26 0.00 -3.09 0.00 -2.24 -1.26 -4.45 114.28 105.51 1ds9 n THR 5 Ca 0.13 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 1ds9 n THR 5 Cb 0.60 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1ds9 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ds9 s THR 6 N 0.24 2.50 -0.03 4.28 2.01 -1.26 -3.35 115.64 120.02 1ds9 s THR 6 Ca 0.00 -1.04 -0.24 0.00 0.31 0.00 0.00 61.69 60.72 1ds9 s THR 6 Cb 0.00 -2.54 -0.22 0.00 0.01 0.00 0.00 72.50 69.75 1ds9 s THR 6 CO 0.00 0.00 1.11 -0.29 -0.69 0.00 0.00 174.62 174.75 1ds9 h ILE 7 N 0.43 1.50 -0.33 1.82 2.10 -1.90 0.46 117.51 121.59 1ds9 h ILE 7 Ca -0.35 -1.74 -0.03 0.00 1.08 0.00 0.00 64.86 63.83 1ds9 h ILE 7 Cb 1.28 2.55 -0.01 0.00 -1.09 0.00 0.00 36.82 39.55 1ds9 h ILE 7 CO 0.44 0.48 0.11 0.11 -1.08 0.00 0.00 178.15 178.20 1ds9 h LYS 8 N -0.42 0.52 -0.17 2.19 1.57 -1.96 -1.62 116.57 116.67 1ds9 h LYS 8 Ca -0.02 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 1ds9 h LYS 8 Cb 0.88 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1ds9 h LYS 8 CO 0.04 0.55 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.54 1ds9 h ASP 9 N 0.38 0.49 0.64 0.86 5.19 -1.97 -1.33 116.42 120.69 1ds9 h ASP 9 Ca 0.11 -0.24 -0.03 0.00 -0.62 0.00 0.00 57.03 56.24 1ds9 h ASP 9 Cb 0.25 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.62 1ds9 h ASP 9 CO -0.00 0.91 -0.31 0.00 -3.12 0.00 0.00 179.24 176.71 1ds9 h ALA 10 N 1.11 -0.86 -0.43 3.45 0.00 0.28 0.51 119.26 123.32 1ds9 h ALA 10 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ds9 h ALA 10 Cb 0.99 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1ds9 h ALA 10 CO 0.09 -0.98 0.10 0.82 0.00 0.00 0.00 179.25 179.27 1ds9 h ILE 11 N -0.87 1.23 -0.52 0.00 2.04 -1.33 -0.08 117.51 117.99 1ds9 h ILE 11 Ca -0.09 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1ds9 h ILE 11 Cb 0.66 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1ds9 h ILE 11 CO 0.15 0.29 0.33 0.03 0.00 0.00 0.00 178.15 178.94 1ds9 h ARG 12 N 0.56 0.70 -0.23 2.37 -0.00 -1.14 0.33 114.38 116.97 1ds9 h ARG 12 Ca 0.13 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.98 59.50 1ds9 h ARG 12 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 1ds9 h ARG 12 CO 0.00 0.49 -0.12 0.82 0.00 0.00 0.00 179.97 181.17 1ds9 h ILE 13 N 0.70 1.21 0.00 2.04 2.04 0.26 -0.39 117.51 123.37 1ds9 h ILE 13 Ca 0.19 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 1ds9 h ILE 13 Cb -0.04 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1ds9 h ILE 13 CO -0.04 0.29 -0.43 -0.26 0.00 0.00 0.00 178.15 177.71 1ds9 h PHE 14 N 0.35 0.00 0.03 1.37 0.04 -0.15 0.22 116.94 118.80 1ds9 h PHE 14 Ca 0.07 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 1ds9 h PHE 14 Cb 0.43 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1ds9 h PHE 14 CO 0.01 0.43 -1.02 1.49 -0.60 0.00 0.00 178.31 178.62 1ds9 h GLU 15 N 0.00 0.08 0.00 1.51 4.81 0.15 0.61 114.58 121.73 1ds9 h GLU 15 Ca -0.00 -0.12 -0.23 0.00 -0.13 0.00 0.00 59.36 58.87 1ds9 h GLU 15 Cb 1.01 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 1ds9 h GLU 15 CO 0.06 1.02 -1.58 -0.85 -0.73 0.00 0.00 179.01 176.93 1ds9 n GLU 16 N -3.45 0.63 0.00 1.92 0.28 -0.26 -3.45 120.64 116.31 1ds9 n GLU 16 Ca -0.02 0.25 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 1ds9 n GLU 16 Cb 0.93 -1.79 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1ds9 n GLU 16 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1ds9 n ARG 17 N -2.95 0.00 0.33 3.44 0.63 0.05 -4.53 116.66 113.63 1ds9 n ARG 17 Ca -0.14 0.00 0.22 0.00 -0.92 0.00 0.00 57.85 57.01 1ds9 n ARG 17 Cb 0.94 -0.06 1.17 0.00 0.45 0.00 0.00 32.46 34.97 1ds9 n ARG 17 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1ds9 h LYS 18 N 0.00 0.00 -5.08 -0.14 3.11 -1.53 -3.46 116.57 109.48 1ds9 h LYS 18 Ca 0.00 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1ds9 h LYS 18 Cb 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 32.23 31.39 1ds9 h LYS 18 CO 0.00 0.00 -0.69 0.43 -2.81 0.00 0.00 179.45 176.38 1ds9 n SER 19 N -3.02 -3.81 -3.80 4.20 7.64 0.20 -4.96 113.62 110.07 1ds9 n SER 19 Ca -0.03 -0.56 -0.17 0.00 1.01 0.00 0.00 58.87 59.13 1ds9 n SER 19 Cb 0.08 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 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 -3.33 0.00 -2.78 0.44 0.24 -0.57 -4.94 118.33 107.38 1ds9 n VAL 20 Ca -0.16 -1.39 -0.18 0.00 -2.04 0.00 0.00 64.34 60.57 1ds9 n VAL 20 Cb 0.62 -0.19 -0.00 0.00 -1.47 0.00 0.00 33.84 32.80 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 -1.31 1.38 0.40 3.34 0.31 -1.26 -4.45 118.33 116.73 1ds9 n VAL 21 Ca -0.02 -4.25 -0.17 0.00 -0.01 0.00 0.00 64.34 59.90 1ds9 n VAL 21 Cb 0.40 -0.33 -0.08 0.00 -0.91 0.00 0.00 33.84 32.91 1ds9 n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ds9 h ALA 22 N 2.89 -1.25 -5.83 3.52 0.00 -1.90 -3.46 119.26 113.24 1ds9 h ALA 22 Ca 0.08 -0.23 -0.43 0.00 0.00 0.00 0.00 54.91 54.33 1ds9 h ALA 22 Cb 0.97 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 1ds9 h ALA 22 CO 0.63 -1.20 -0.64 2.41 0.00 0.00 0.00 179.25 180.45 1ds9 n THR 23 N -5.10 -1.17 -3.42 0.00 -1.04 -1.26 -0.03 114.28 102.26 1ds9 n THR 23 Ca -0.13 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.64 1ds9 n THR 23 Cb 0.44 -1.98 0.06 0.00 -1.82 0.00 0.00 70.33 67.03 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 -4.01 -6.66 -3.35 -2.82 2.13 -1.26 -4.97 120.64 99.70 1ds9 n GLU 24 Ca 0.01 0.84 -0.33 0.00 0.66 0.00 0.00 57.16 58.34 1ds9 n GLU 24 Cb 0.53 -5.81 -0.06 0.00 0.27 0.00 0.00 31.44 26.37 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 -3.26 3.53 0.59 4.31 0.00 0.96 -4.69 121.76 123.21 1ds9 s ALA 25 Ca 0.49 -0.17 0.33 0.00 0.00 0.00 0.00 51.96 52.61 1ds9 s ALA 25 Cb -0.22 -2.52 1.95 0.00 0.00 0.00 0.00 23.12 22.33 1ds9 s ALA 25 CO 0.61 0.46 2.27 0.93 0.00 0.00 0.00 175.76 180.03 1ds9 h GLU 26 N 2.85 0.00 -4.43 0.00 5.08 -1.80 -3.36 114.58 112.92 1ds9 h GLU 26 Ca -0.48 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.17 1ds9 h GLU 26 Cb 1.18 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.14 1ds9 h GLU 26 CO 0.67 0.01 -0.47 0.15 -1.00 0.00 0.00 179.01 178.37 1ds9 s LYS 27 N -4.48 2.50 -0.99 2.33 1.02 -1.25 -0.26 119.74 118.61 1ds9 s LYS 27 Ca -0.05 -1.56 -0.04 0.00 0.02 0.00 0.00 55.97 54.34 1ds9 s LYS 27 Cb 0.14 -3.77 0.26 0.00 -0.52 0.00 0.00 37.83 33.94 1ds9 s LYS 27 CO 0.52 -1.01 0.99 0.28 -0.92 0.00 0.00 175.35 175.21 1ds9 n VAL 28 N 4.87 3.85 -2.73 3.17 0.31 -0.45 -4.87 118.33 122.48 1ds9 n VAL 28 Ca -0.09 -5.32 -0.43 0.00 -0.01 0.00 0.00 64.34 58.49 1ds9 n VAL 28 Cb 0.42 -2.41 -0.01 0.00 -0.91 0.00 0.00 33.84 30.93 1ds9 n VAL 28 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ds9 s GLU 29 N -1.58 3.86 0.00 5.55 2.02 -1.26 -1.48 118.70 125.81 1ds9 s GLU 29 Ca 0.30 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1ds9 s GLU 29 Cb -0.06 -5.27 0.00 0.00 0.10 0.00 0.00 34.13 28.90 1ds9 s GLU 29 CO -0.08 -2.04 0.00 1.28 0.02 0.00 0.00 175.26 174.44 1ds9 n LEU 30 N 7.50 0.00 0.01 1.80 4.77 0.16 -4.93 117.00 126.31 1ds9 n LEU 30 Ca 0.38 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1ds9 n LEU 30 Cb 0.47 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ds9 n LEU 30 CO 0.66 -0.02 -0.01 1.57 -1.33 0.00 0.00 177.39 178.27 1ds9 n HIS 31 N -0.03 0.00 -4.04 -1.77 -0.00 -1.26 -4.30 115.22 103.81 1ds9 n HIS 31 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1ds9 n HIS 31 Cb 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 29.99 29.87 1ds9 n HIS 31 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1ds9 s GLY 32 N -3.26 0.41 0.20 1.57 0.00 -1.26 0.13 107.32 105.11 1ds9 s GLY 32 Ca -0.01 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1ds9 s GLY 32 CO 0.01 -0.93 0.17 1.03 0.00 0.00 0.00 173.10 173.38 1ds9 n MET 33 N 1.07 1.14 -4.37 2.90 2.81 0.08 0.11 117.12 120.86 1ds9 n MET 33 Ca -0.20 -1.20 -0.35 0.00 -1.81 0.00 0.00 57.70 54.14 1ds9 n MET 33 Cb 0.57 0.09 -0.10 0.00 -0.71 0.00 0.00 33.22 33.07 1ds9 n MET 33 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1ds9 s ILE 34 N -0.83 4.26 0.53 2.02 -4.36 -1.26 -4.40 121.20 117.15 1ds9 s ILE 34 Ca 0.13 -0.26 0.19 0.00 -0.26 0.00 0.00 60.65 60.45 1ds9 s ILE 34 Cb -0.01 -2.80 0.30 0.00 1.25 0.00 0.00 42.46 41.19 1ds9 s ILE 34 CO 0.08 0.58 2.14 1.55 0.24 0.00 0.00 174.94 179.53 1ds9 h PRO 35 N 5.43 0.00 -0.54 0.37 0.13 -1.95 -2.09 132.00 133.35 1ds9 h PRO 35 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ds9 h PRO 35 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ds9 h PRO 35 CO 0.56 0.00 0.00 -0.35 -0.23 0.00 0.00 178.00 177.98 1ds9 n PRO 36 N -4.44 1.98 -1.62 1.56 -0.04 -1.26 -0.02 135.00 131.16 1ds9 n PRO 36 Ca -0.01 -1.03 -0.49 0.00 -0.04 0.00 0.00 63.50 61.93 1ds9 n PRO 36 Cb 0.16 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.10 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 0.25 0.33 0.04 0.52 3.06 -0.79 -4.70 119.36 118.08 1ds9 n ILE 37 Ca 0.09 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 1ds9 n ILE 37 Cb 0.39 -1.09 0.00 0.00 0.54 0.00 0.00 39.64 39.48 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 2.50 0.00 -3.68 9.51 0.00 -1.24 -1.40 120.64 126.33 1ds9 n GLU 38 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 56.95 1ds9 n GLU 38 Cb 0.24 -0.11 -0.12 0.00 0.00 0.00 0.00 31.44 31.46 1ds9 n GLU 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1ds9 s LYS 39 N -1.44 3.81 -1.07 5.31 -2.85 -1.26 -0.72 119.74 121.52 1ds9 s LYS 39 Ca 0.00 -0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 54.54 1ds9 s LYS 39 Cb 0.00 -3.49 0.31 0.00 -2.06 0.00 0.00 37.83 32.60 1ds9 s LYS 39 CO 0.00 -0.17 1.58 -0.12 0.10 0.00 0.00 175.35 176.74 1ds9 n MET 40 N 4.96 4.76 -0.01 1.78 1.56 -1.26 -4.20 117.12 124.71 1ds9 n MET 40 Ca -0.15 -4.59 0.21 0.00 -0.27 0.00 0.00 57.70 52.89 1ds9 n MET 40 Cb 0.52 -2.50 0.69 0.00 2.15 0.00 0.00 33.22 34.08 1ds9 n MET 40 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 1ds9 h ASP 41 N 5.08 0.00 0.00 6.12 1.82 -1.84 -0.98 116.42 126.62 1ds9 h ASP 41 Ca 0.29 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1ds9 h ASP 41 Cb 0.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1ds9 h ASP 41 CO 1.29 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.92 1ds9 n ALA 42 N -2.64 -0.19 0.03 -0.78 0.00 -1.26 -1.75 120.51 113.91 1ds9 n ALA 42 Ca 0.10 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.76 1ds9 n ALA 42 Cb 0.63 0.08 0.72 0.00 0.00 0.00 0.00 19.45 20.87 1ds9 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ds9 h THR 43 N 0.00 0.37 0.45 0.00 1.03 -1.85 0.69 112.91 113.60 1ds9 h THR 43 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 1ds9 h THR 43 Cb 0.00 0.58 -0.01 0.00 -1.07 0.00 0.00 68.15 67.65 1ds9 h THR 43 CO 0.00 0.00 -0.38 0.25 -0.01 0.00 0.00 175.52 175.38 1ds9 h LEU 44 N 0.00 -1.03 0.15 0.00 5.85 -0.51 0.42 115.31 120.19 1ds9 h LEU 44 Ca 0.25 0.08 -0.19 0.00 0.84 0.00 0.00 57.88 58.85 1ds9 h LEU 44 Cb 1.32 0.33 0.02 0.00 0.37 0.00 0.00 40.66 42.70 1ds9 h LEU 44 CO -0.00 -0.53 -0.85 0.28 -0.34 0.00 0.00 178.44 177.00 1ds9 h SER 45 N -0.81 0.49 -0.21 1.25 0.02 -0.53 -3.19 113.55 110.57 1ds9 h SER 45 Ca -0.06 -0.95 0.06 0.00 -0.84 0.00 0.00 61.79 60.00 1ds9 h SER 45 Cb 0.69 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ds9 h SER 45 CO -0.01 1.41 0.53 0.74 -1.14 0.00 0.00 176.83 178.36 1ds9 h THR 46 N -0.35 0.11 -0.86 -2.27 2.02 0.33 -1.67 112.91 110.23 1ds9 h THR 46 Ca -0.15 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.26 1ds9 h THR 46 Cb 1.67 0.52 -0.14 0.00 -1.74 0.00 0.00 68.15 68.46 1ds9 h THR 46 CO 0.16 0.00 0.18 0.25 0.37 0.00 0.00 175.52 176.48 1ds9 h LEU 47 N 0.00 -0.10 -0.81 2.58 6.46 -0.14 1.01 115.31 124.31 1ds9 h LEU 47 Ca 0.10 0.20 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 1ds9 h LEU 47 Cb 1.15 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 41.32 1ds9 h LEU 47 CO -0.00 -0.17 0.49 0.11 -0.62 0.00 0.00 178.44 178.25 1ds9 h LYS 48 N 0.17 0.87 -1.21 1.25 1.79 -1.55 -0.58 116.57 117.32 1ds9 h LYS 48 Ca 0.53 -0.05 -0.69 0.00 -2.18 0.00 0.00 60.65 58.26 1ds9 h LYS 48 Cb 1.05 -0.20 -0.30 0.00 -1.58 0.00 0.00 32.23 31.20 1ds9 h LYS 48 CO -0.67 0.58 0.75 0.00 -1.08 0.00 0.00 179.45 179.02 1ds9 n ALA 49 N -2.35 6.26 -2.84 3.86 0.00 0.31 -4.95 120.51 120.80 1ds9 n ALA 49 Ca 0.11 -3.66 -0.29 0.00 0.00 0.00 0.00 53.44 49.60 1ds9 n ALA 49 Cb 0.17 -1.69 -0.16 0.00 0.00 0.00 0.00 19.45 17.77 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 3.07 0.00 -4.41 0.00 5.02 -1.14 -4.81 118.16 115.89 1ds9 n LYS 51 Ca -0.18 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.85 1ds9 n LYS 51 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.37 1ds9 n LYS 51 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ds9 s HIS 52 N -1.47 1.64 -0.02 2.13 2.46 0.64 -1.57 115.29 119.09 1ds9 s HIS 52 Ca 0.00 -0.71 0.06 0.00 0.47 0.00 0.00 55.06 54.88 1ds9 s HIS 52 Cb 0.00 -1.22 -0.01 0.00 -0.13 0.00 0.00 32.58 31.21 1ds9 s HIS 52 CO 0.00 -0.39 -0.20 -1.17 -2.47 0.00 0.00 174.74 170.51 1ds9 s LEU 53 N 0.98 2.02 -0.10 8.88 2.96 -0.49 -1.34 118.68 131.59 1ds9 s LEU 53 Ca -0.08 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1ds9 s LEU 53 Cb -0.15 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.53 1ds9 s LEU 53 CO -0.00 0.24 -0.01 0.00 -1.32 0.00 0.00 176.35 175.25 1ds9 s ALA 54 N -0.40 0.86 0.10 5.97 0.00 -0.55 0.29 121.76 128.03 1ds9 s ALA 54 Ca 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1ds9 s ALA 54 Cb -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 1ds9 s ALA 54 CO -0.00 -0.57 0.03 1.28 0.00 0.00 0.00 175.76 176.50 1ds9 n LEU 55 N 5.10 0.00 0.00 0.00 7.99 -0.09 0.36 117.00 130.36 1ds9 n LEU 55 Ca -0.08 -0.70 0.00 0.00 -0.01 0.00 0.00 56.01 55.21 1ds9 n LEU 55 Cb 0.50 0.21 0.00 0.00 -0.11 0.00 0.00 43.42 44.01 1ds9 n LEU 55 CO 0.12 -0.11 0.00 -0.24 -1.51 0.00 0.00 177.39 175.65 1ds9 n SER 56 N -1.79 0.00 -3.63 -1.43 2.88 0.34 -4.10 113.62 105.90 1ds9 n SER 56 Ca -0.02 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.23 1ds9 n SER 56 Cb 0.14 0.03 -0.15 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.61 0.39 -0.10 2.46 -1.32 -0.49 0.36 115.64 115.34 1ds9 s THR 57 Ca 0.00 -1.07 -0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1ds9 s THR 57 Cb 0.00 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1ds9 s THR 57 CO 0.00 -0.70 -0.02 0.54 -2.21 0.00 0.00 174.62 172.23 1ds9 s ASN 58 N 1.86 1.90 -0.13 8.08 4.22 -0.42 -0.74 114.94 129.70 1ds9 s ASN 58 Ca 0.09 -0.22 -0.07 0.00 -2.14 0.00 0.00 52.86 50.52 1ds9 s ASN 58 Cb -0.17 -0.59 -0.04 0.00 1.28 0.00 0.00 41.25 41.74 1ds9 s ASN 58 CO -0.31 -0.18 0.12 0.20 -2.04 0.00 0.00 177.10 174.89 1ds9 s ASN 59 N 1.87 6.23 -0.27 3.54 -0.87 -1.26 -1.33 114.94 122.85 1ds9 s ASN 59 Ca 0.04 0.38 0.02 0.00 -1.57 0.00 0.00 52.86 51.73 1ds9 s ASN 59 Cb -0.13 -2.02 0.07 0.00 -0.02 0.00 0.00 41.25 39.15 1ds9 s ASN 59 CO -0.06 0.35 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.17 1ds9 s ILE 60 N -0.70 1.71 -0.06 0.60 1.09 -0.16 -3.24 121.20 120.44 1ds9 s ILE 60 Ca 0.13 -1.54 -0.17 0.00 -1.10 0.00 0.00 60.65 57.97 1ds9 s ILE 60 Cb -0.12 -2.04 -0.30 0.00 -1.06 0.00 0.00 42.46 38.94 1ds9 s ILE 60 CO 0.03 -0.25 0.75 -0.08 -0.10 0.00 0.00 174.94 175.28 1ds9 h GLU 61 N 7.87 0.33 -4.51 2.79 4.57 -0.58 -3.38 114.58 121.67 1ds9 h GLU 61 Ca -0.15 -0.56 -0.21 0.00 -1.18 0.00 0.00 59.36 57.26 1ds9 h GLU 61 Cb 1.05 0.21 -0.15 0.00 -0.16 0.00 0.00 28.75 29.70 1ds9 h GLU 61 CO 0.45 1.27 -0.66 0.15 -1.18 0.00 0.00 179.01 179.04 1ds9 s LYS 62 N -2.49 0.94 -0.30 1.92 1.02 -0.49 -4.73 119.74 115.61 1ds9 s LYS 62 Ca -0.16 -1.44 -0.04 0.00 0.02 0.00 0.00 55.97 54.36 1ds9 s LYS 62 Cb 0.03 0.10 0.17 0.00 -0.52 0.00 0.00 37.83 37.61 1ds9 s LYS 62 CO 0.83 -0.21 0.63 -1.50 -0.92 0.00 0.00 175.35 174.18 1ds9 s ILE 63 N -3.93 -0.97 -0.14 2.17 -1.16 -1.23 -3.73 121.20 112.22 1ds9 s ILE 63 Ca 0.22 0.00 0.18 0.00 -0.51 0.00 0.00 60.65 60.54 1ds9 s ILE 63 Cb 0.07 -1.00 -0.26 0.00 0.61 0.00 0.00 42.46 41.88 1ds9 s ILE 63 CO 0.01 0.00 0.18 -1.20 -2.81 0.00 0.00 174.94 171.12 1ds9 n SER 64 N 5.43 0.27 -2.86 4.50 7.64 0.10 -4.60 113.62 124.09 1ds9 n SER 64 Ca -0.04 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 1ds9 n SER 64 Cb 0.51 1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 64.91 1ds9 n SER 64 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ds9 n SER 65 N -2.56 6.37 -0.14 6.43 3.41 -1.26 -4.57 113.62 121.31 1ds9 n SER 65 Ca -0.23 -2.43 -0.09 0.00 -0.26 0.00 0.00 58.87 55.87 1ds9 n SER 65 Cb 0.95 -1.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1ds9 n SER 65 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ds9 h LEU 66 N 6.70 0.54 -1.00 1.04 8.10 -1.81 -1.29 115.31 127.58 1ds9 h LEU 66 Ca 0.54 -0.14 -0.10 0.00 0.11 0.00 0.00 57.88 58.29 1ds9 h LEU 66 Cb 0.58 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 1ds9 h LEU 66 CO 1.20 0.52 -0.42 -1.28 -4.11 0.00 0.00 178.44 174.35 1ds9 h SER 67 N 0.51 0.18 -0.20 0.17 0.87 -1.91 0.40 113.55 113.57 1ds9 h SER 67 Ca 0.14 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ds9 h SER 67 Cb 0.14 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1ds9 h SER 67 CO -0.02 0.58 0.13 1.23 -0.53 0.00 0.00 176.83 178.22 1ds9 h GLY 68 N 1.24 0.29 1.58 5.77 0.00 -1.64 -1.82 103.07 108.49 1ds9 h GLY 68 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ds9 h GLY 68 CO 0.06 0.11 -0.24 1.03 0.00 0.00 0.00 176.54 177.51 1ds9 n MET 69 N -4.93 0.07 0.00 4.80 2.81 -0.56 -3.80 117.12 115.51 1ds9 n MET 69 Ca -0.03 0.04 0.02 0.00 -1.81 0.00 0.00 57.70 55.92 1ds9 n MET 69 Cb 0.04 -1.56 0.13 0.00 -0.71 0.00 0.00 33.22 31.12 1ds9 n MET 69 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1ds9 n GLU 70 N -1.67 0.11 -0.29 0.03 0.00 0.14 -1.54 120.64 117.41 1ds9 n GLU 70 Ca 0.06 0.13 0.07 0.00 0.00 0.00 0.00 57.16 57.41 1ds9 n GLU 70 Cb 0.36 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.50 1ds9 n GLU 70 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1ds9 n ASN 71 N -1.15 3.36 -4.77 4.31 4.13 -1.25 -4.48 115.26 115.41 1ds9 n ASN 71 Ca 0.03 -2.34 -0.38 0.00 1.68 0.00 0.00 54.58 53.57 1ds9 n ASN 71 Cb 0.03 -0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.87 1ds9 n ASN 71 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ds9 s LEU 72 N -1.62 4.29 0.00 3.41 1.98 -0.59 -4.57 118.68 121.58 1ds9 s LEU 72 Ca 0.31 2.06 0.00 0.00 -2.89 0.00 0.00 54.13 53.62 1ds9 s LEU 72 Cb 0.20 -4.00 0.00 0.00 0.66 0.00 0.00 46.19 43.05 1ds9 s LEU 72 CO 0.14 -0.32 0.00 -1.14 -1.89 0.00 0.00 176.35 173.14 1ds9 n ARG 73 N 0.39 0.00 -4.29 1.98 0.63 -1.07 -1.83 116.66 112.46 1ds9 n ARG 73 Ca 0.03 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.62 1ds9 n ARG 73 Cb 0.48 -0.63 -0.15 0.00 0.45 0.00 0.00 32.46 32.61 1ds9 n ARG 73 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ds9 s ILE 74 N -1.95 2.73 -0.34 5.15 1.01 -0.61 -0.88 121.20 126.32 1ds9 s ILE 74 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1ds9 s ILE 74 Cb 0.00 -2.18 0.10 0.00 0.01 0.00 0.00 42.46 40.39 1ds9 s ILE 74 CO 0.00 0.50 0.08 -0.22 0.00 0.00 0.00 174.94 175.30 1ds9 s LEU 75 N 1.06 3.67 -0.99 2.97 0.20 -0.54 -1.40 118.68 123.65 1ds9 s LEU 75 Ca -0.00 -1.98 -0.21 0.00 0.69 0.00 0.00 54.13 52.62 1ds9 s LEU 75 Cb -0.15 -1.30 0.08 0.00 -0.43 0.00 0.00 46.19 44.39 1ds9 s LEU 75 CO -0.04 -0.39 1.34 -0.55 -0.29 0.00 0.00 176.35 176.42 1ds9 s SER 76 N 1.15 6.56 0.06 3.68 0.15 0.15 -0.94 113.70 124.50 1ds9 s SER 76 Ca 0.11 -1.70 0.09 0.00 0.70 0.00 0.00 55.95 55.14 1ds9 s SER 76 Cb -0.19 -2.50 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1ds9 s SER 76 CO -0.15 -1.33 -0.22 -0.22 1.20 0.00 0.00 173.24 172.52 1ds9 s LEU 77 N 4.08 2.43 0.00 3.45 2.96 0.16 -0.92 118.68 130.84 1ds9 s LEU 77 Ca 0.41 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1ds9 s LEU 77 Cb -0.02 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1ds9 s LEU 77 CO -0.09 0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1ds9 n GLY 78 N 1.47 0.25 3.61 7.98 0.00 -1.26 -2.67 105.19 114.58 1ds9 n GLY 78 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 4.03 -0.01 1.61 3.00 0.16 0.54 118.95 128.28 1ds9 s ARG 79 Ca 0.00 0.29 -0.18 0.00 -1.00 0.00 0.00 55.73 54.83 1ds9 s ARG 79 Cb 0.00 -3.67 0.03 0.00 0.00 0.00 0.00 34.95 31.32 1ds9 s ARG 79 CO 0.00 -0.39 0.39 0.54 0.00 0.00 0.00 175.30 175.85 1ds9 s ASN 80 N 1.57 -0.29 -0.08 -2.12 2.20 0.48 -1.30 114.94 115.39 1ds9 s ASN 80 Ca 0.21 0.17 0.03 0.00 -0.94 0.00 0.00 52.86 52.33 1ds9 s ASN 80 Cb -0.16 0.37 0.01 0.00 -2.00 0.00 0.00 41.25 39.48 1ds9 s ASN 80 CO 0.10 -0.52 -0.16 -0.76 -2.94 0.00 0.00 177.10 172.81 1ds9 s LEU 81 N -1.46 1.78 -0.03 3.54 1.02 -0.45 -1.48 118.68 121.60 1ds9 s LEU 81 Ca -0.11 -0.39 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 1ds9 s LEU 81 Cb -0.03 -1.04 0.03 0.00 0.02 0.00 0.00 46.19 45.17 1ds9 s LEU 81 CO 0.04 0.07 0.06 -0.63 0.02 0.00 0.00 176.35 175.91 1ds9 s ILE 82 N 0.63 -0.07 0.01 -0.59 1.01 0.25 -0.99 121.20 121.45 1ds9 s ILE 82 Ca -0.14 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 1ds9 s ILE 82 Cb -0.16 -0.13 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1ds9 s ILE 82 CO 0.04 0.10 -0.07 1.17 0.00 0.00 0.00 174.94 176.19 1ds9 n LYS 83 N 4.38 0.10 -0.45 2.79 0.00 -1.26 -3.68 118.16 120.05 1ds9 n LYS 83 Ca -0.24 0.04 -0.07 0.00 0.00 0.00 0.00 58.31 58.05 1ds9 n LYS 83 Cb 0.50 -0.68 0.05 0.00 0.00 0.00 0.00 35.03 34.91 1ds9 n LYS 83 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ds9 n LYS 84 N -3.52 -0.32 -3.66 1.64 4.76 -1.26 -3.82 118.16 111.97 1ds9 n LYS 84 Ca -0.05 -0.49 -0.30 0.00 -2.87 0.00 0.00 58.31 54.60 1ds9 n LYS 84 Cb 0.26 -0.33 -0.14 0.00 -1.84 0.00 0.00 35.03 32.99 1ds9 n LYS 84 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1ds9 s ILE 85 N -1.69 0.75 0.00 -0.18 1.10 -1.26 -4.72 121.20 115.20 1ds9 s ILE 85 Ca 0.18 -1.59 0.00 0.00 -0.51 0.00 0.00 60.65 58.74 1ds9 s ILE 85 Cb -0.00 -1.56 0.01 0.00 0.15 0.00 0.00 42.46 41.05 1ds9 s ILE 85 CO 0.13 -0.77 0.84 -0.62 -2.11 0.00 0.00 174.94 172.41 1ds9 n GLU 86 N 4.53 0.00 0.00 3.50 1.02 -1.26 -4.93 120.64 123.49 1ds9 n GLU 86 Ca 0.02 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.46 1ds9 n GLU 86 Cb 0.40 -0.33 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 1ds9 n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1ds9 n ASN 87 N 0.01 0.00 -0.31 1.62 6.94 -1.26 -4.10 115.26 118.17 1ds9 n ASN 87 Ca -0.00 0.00 0.23 0.00 -0.02 0.00 0.00 54.58 54.79 1ds9 n ASN 87 Cb 0.64 0.09 0.54 0.00 -2.36 0.00 0.00 39.78 38.69 1ds9 n ASN 87 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1ds9 h LEU 88 N 0.00 0.39 0.71 -4.53 3.38 -1.91 -0.16 115.31 113.19 1ds9 h LEU 88 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1ds9 h LEU 88 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ds9 h LEU 88 CO 0.00 0.09 -0.34 0.44 0.09 0.00 0.00 178.44 178.72 1ds9 h ASP 89 N 0.35 -0.81 0.46 -0.43 5.19 -1.86 0.53 116.42 119.85 1ds9 h ASP 89 Ca 0.57 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.98 1ds9 h ASP 89 Cb 1.52 0.21 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1ds9 h ASP 89 CO -0.24 -0.48 -0.22 0.00 -3.12 0.00 0.00 179.24 175.18 1ds9 h ALA 90 N -1.36 -0.61 -0.80 3.45 0.00 -1.72 0.84 119.26 119.07 1ds9 h ALA 90 Ca -0.10 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ds9 h ALA 90 Cb 0.73 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1ds9 h ALA 90 CO 0.16 -0.84 0.52 -0.39 0.00 0.00 0.00 179.25 178.70 1ds9 h VAL 91 N -0.62 0.99 0.00 0.00 -1.51 -1.14 -0.45 116.25 113.52 1ds9 h VAL 91 Ca -0.06 -0.27 -0.15 0.00 -1.23 0.00 0.00 66.70 64.98 1ds9 h VAL 91 Cb 0.48 0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1ds9 h VAL 91 CO 0.10 0.15 -0.72 0.00 -1.23 0.00 0.00 177.57 175.87 1ds9 h ALA 92 N 1.58 0.77 0.00 5.19 0.00 -0.58 0.57 119.26 126.79 1ds9 h ALA 92 Ca 0.35 -0.65 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1ds9 h ALA 92 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ds9 h ALA 92 CO -0.13 0.90 -0.59 -0.44 0.00 0.00 0.00 179.25 178.98 1ds9 h ASP 93 N 0.00 0.00 0.00 0.00 3.32 0.69 -3.29 116.42 117.14 1ds9 h ASP 93 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1ds9 h ASP 93 Cb 1.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1ds9 h ASP 93 CO 0.09 0.59 -2.08 1.07 -1.72 0.00 0.00 179.24 177.20 1ds9 n THR 94 N -3.61 0.67 -2.24 0.35 5.66 -0.38 -4.96 114.28 109.77 1ds9 n THR 94 Ca -0.00 -0.62 -0.41 0.00 -3.05 0.00 0.00 64.05 59.97 1ds9 n THR 94 Cb 0.64 -0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 1ds9 n THR 94 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ds9 s LEU 95 N -4.88 4.46 -0.14 1.09 1.43 0.20 -4.37 118.68 116.46 1ds9 s LEU 95 Ca -0.08 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1ds9 s LEU 95 Cb 0.09 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 1ds9 s LEU 95 CO 0.77 -0.43 -0.13 1.21 0.23 0.00 0.00 176.35 178.00 1ds9 n GLU 96 N 1.38 0.35 -4.00 1.70 2.13 -0.06 -4.51 120.64 117.63 1ds9 n GLU 96 Ca 0.01 0.08 -0.31 0.00 0.66 0.00 0.00 57.16 57.60 1ds9 n GLU 96 Cb 0.43 -1.28 -0.15 0.00 0.27 0.00 0.00 31.44 30.71 1ds9 n GLU 96 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ds9 s GLU 97 N -2.28 1.54 -0.42 5.31 2.02 -0.65 -1.63 118.70 122.58 1ds9 s GLU 97 Ca -0.19 -1.89 -0.10 0.00 0.02 0.00 0.00 54.97 52.81 1ds9 s GLU 97 Cb 0.05 -3.25 0.07 0.00 0.10 0.00 0.00 34.13 31.11 1ds9 s GLU 97 CO 0.33 -0.96 0.26 -1.17 0.02 0.00 0.00 175.26 173.74 1ds9 s LEU 98 N 0.89 5.14 -0.39 1.80 0.20 -0.31 -1.47 118.68 124.54 1ds9 s LEU 98 Ca 0.11 -1.43 -0.18 0.00 0.69 0.00 0.00 54.13 53.32 1ds9 s LEU 98 Cb -0.19 -2.01 0.01 0.00 -0.43 0.00 0.00 46.19 43.57 1ds9 s LEU 98 CO -0.07 -0.53 0.47 0.26 -0.29 0.00 0.00 176.35 176.19 1ds9 s TRP 99 N 1.46 3.16 -0.38 5.38 0.51 -0.12 -1.20 118.94 127.75 1ds9 s TRP 99 Ca 0.03 -0.14 0.01 0.00 -2.12 0.00 0.00 56.10 53.88 1ds9 s TRP 99 Cb -0.23 -2.93 0.14 0.00 -0.81 0.00 0.00 33.47 29.64 1ds9 s TRP 99 CO 0.03 -0.64 0.22 0.96 -0.51 0.00 0.00 176.95 177.01 1ds9 s ILE 100 N 2.28 0.48 0.00 2.03 -4.36 -0.13 0.39 121.20 121.89 1ds9 s ILE 100 Ca 0.15 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.59 1ds9 s ILE 100 Cb -0.16 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.20 1ds9 s ILE 100 CO 0.14 -0.97 0.69 -0.24 0.24 0.00 0.00 174.94 174.80 1ds9 n SER 101 N 3.88 0.00 -4.33 4.36 2.88 -1.09 -3.93 113.62 115.39 1ds9 n SER 101 Ca 0.12 0.72 -0.46 0.00 -1.33 0.00 0.00 58.87 57.92 1ds9 n SER 101 Cb 0.37 -0.28 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 1ds9 n SER 101 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1ds9 s TYR 102 N -1.94 3.18 -0.08 0.66 6.14 0.19 0.57 117.35 126.07 1ds9 s TYR 102 Ca 0.00 -1.20 0.02 0.00 0.64 0.00 0.00 57.07 56.53 1ds9 s TYR 102 Cb 0.00 -3.88 0.02 0.00 0.42 0.00 0.00 41.96 38.51 1ds9 s TYR 102 CO 0.00 -1.12 -0.12 0.54 0.64 0.00 0.00 175.55 175.48 1ds9 s ASN 103 N 3.56 2.03 -0.26 4.32 2.20 0.10 -0.39 114.94 126.50 1ds9 s ASN 103 Ca 0.07 -0.34 -0.12 0.00 -0.94 0.00 0.00 52.86 51.54 1ds9 s ASN 103 Cb -0.27 -0.90 -0.05 0.00 -2.00 0.00 0.00 41.25 38.03 1ds9 s ASN 103 CO 0.04 0.01 0.22 -1.10 -2.94 0.00 0.00 177.10 173.32 1ds9 s GLN 104 N 0.91 4.02 -0.07 3.55 -0.21 -0.55 0.55 119.66 127.87 1ds9 s GLN 104 Ca -0.09 -0.21 -0.04 0.00 0.02 0.00 0.00 55.36 55.03 1ds9 s GLN 104 Cb -0.15 -3.61 0.03 0.00 1.00 0.00 0.00 33.01 30.28 1ds9 s GLN 104 CO 0.01 -0.10 0.16 0.42 -2.12 0.00 0.00 175.29 173.66 1ds9 s ILE 105 N 1.52 -0.02 0.00 1.08 1.01 -0.72 -0.58 121.20 123.49 1ds9 s ILE 105 Ca 0.09 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1ds9 s ILE 105 Cb -0.15 -0.24 0.00 0.00 0.01 0.00 0.00 42.46 42.08 1ds9 s ILE 105 CO 0.08 0.03 0.21 0.00 0.00 0.00 0.00 174.94 175.27 1ds9 n ALA 106 N 3.60 1.61 -2.63 9.38 0.00 -1.25 -4.14 120.51 127.09 1ds9 n ALA 106 Ca -0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.62 1ds9 n ALA 106 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.28 7.38 0.09 0.00 0.01 -1.25 -4.95 113.70 114.70 1ds9 s SER 107 Ca 0.00 1.69 -0.18 0.00 1.31 0.00 0.00 55.95 58.78 1ds9 s SER 107 Cb 0.00 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 1ds9 s SER 107 CO 0.00 -0.24 1.51 -0.07 0.41 0.00 0.00 173.24 174.86 1ds9 h LEU 108 N 6.60 0.50 -0.38 2.44 -0.00 -1.96 -1.52 115.31 121.00 1ds9 h LEU 108 Ca -0.41 -0.33 -0.09 0.00 -0.00 0.00 0.00 57.88 57.04 1ds9 h LEU 108 Cb 1.22 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 1ds9 h LEU 108 CO 0.75 0.71 -0.13 -1.28 -0.00 0.00 0.00 178.44 178.49 1ds9 h SER 109 N 0.28 0.77 0.88 -0.43 0.87 -1.98 -0.34 113.55 113.60 1ds9 h SER 109 Ca 0.08 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1ds9 h SER 109 Cb 0.47 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1ds9 h SER 109 CO 0.02 0.98 -0.49 1.23 -0.53 0.00 0.00 176.83 178.04 1ds9 h GLY 110 N 0.56 -1.38 1.04 5.77 0.00 -1.90 -1.03 103.07 106.13 1ds9 h GLY 110 Ca 0.09 0.54 0.04 0.00 0.00 0.00 0.00 47.33 48.00 1ds9 h GLY 110 CO 0.04 -0.48 0.55 0.16 0.00 0.00 0.00 176.54 176.81 1ds9 h ILE 111 N -1.27 1.12 -0.77 2.60 -0.00 -1.32 -0.69 117.51 117.19 1ds9 h ILE 111 Ca -0.12 -0.35 0.04 0.00 -0.00 0.00 0.00 64.86 64.43 1ds9 h ILE 111 Cb 1.00 0.02 -0.05 0.00 -0.00 0.00 0.00 36.82 37.79 1ds9 h ILE 111 CO 0.15 0.18 0.48 -0.08 -0.00 0.00 0.00 178.15 178.89 1ds9 h GLU 112 N 1.01 0.91 0.14 0.16 4.81 -0.74 0.73 114.58 121.60 1ds9 h GLU 112 Ca 0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1ds9 h GLU 112 Cb 0.07 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1ds9 h GLU 112 CO -0.10 0.60 -0.07 0.87 -0.73 0.00 0.00 179.01 179.58 1ds9 h LYS 113 N 0.93 -0.19 -0.51 1.92 1.57 -0.37 0.59 116.57 120.52 1ds9 h LYS 113 Ca 0.31 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.25 1ds9 h LYS 113 Cb 0.04 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1ds9 h LYS 113 CO -0.12 -0.12 0.43 1.37 -0.57 0.00 0.00 179.45 180.44 1ds9 h LEU 114 N -0.93 0.00 0.16 2.94 8.10 -1.19 0.30 115.31 124.70 1ds9 h LEU 114 Ca -0.02 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.63 1ds9 h LEU 114 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.37 1ds9 h LEU 114 CO 0.03 0.00 -1.67 0.58 -4.11 0.00 0.00 178.44 173.27 1ds9 h VAL 115 N 0.00 1.01 0.00 0.15 2.07 -0.93 -3.25 116.25 115.31 1ds9 h VAL 115 Ca 0.24 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1ds9 h VAL 115 Cb 1.10 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.64 1ds9 h VAL 115 CO -0.00 0.84 0.00 -3.20 0.02 0.00 0.00 177.57 175.23 1ds9 n ASN 116 N -3.54 0.00 -3.29 0.57 5.15 0.44 -4.82 115.26 109.77 1ds9 n ASN 116 Ca -0.22 0.29 -0.14 0.00 -0.60 0.00 0.00 54.58 53.91 1ds9 n ASN 116 Cb 1.07 -0.40 0.13 0.00 -0.53 0.00 0.00 39.78 40.05 1ds9 n ASN 116 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ds9 n LEU 117 N -1.40 0.00 0.00 1.20 0.00 0.77 -4.87 117.00 112.70 1ds9 n LEU 117 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 56.01 55.67 1ds9 n LEU 117 Cb 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 43.42 43.01 1ds9 n LEU 117 CO 0.15 -2.20 0.03 0.54 0.00 0.00 0.00 177.39 175.91 1ds9 n ARG 118 N -2.23 0.00 -4.39 1.96 1.74 -1.26 -4.52 116.66 107.96 1ds9 n ARG 118 Ca 0.06 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.99 1ds9 n ARG 118 Cb 0.27 -0.72 -0.15 0.00 -1.02 0.00 0.00 32.46 30.84 1ds9 n ARG 118 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ds9 s VAL 119 N -0.47 2.55 -0.02 1.55 0.11 -0.65 -1.44 120.40 122.03 1ds9 s VAL 119 Ca 0.00 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1ds9 s VAL 119 Cb 0.00 -2.08 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 1ds9 s VAL 119 CO 0.00 0.51 0.11 -1.48 -3.33 0.00 0.00 175.10 170.91 1ds9 s LEU 120 N 0.99 1.63 -0.14 2.54 2.34 -0.38 -1.16 118.68 124.51 1ds9 s LEU 120 Ca -0.02 0.01 -0.02 0.00 0.06 0.00 0.00 54.13 54.16 1ds9 s LEU 120 Cb -0.15 0.46 -0.02 0.00 -0.56 0.00 0.00 46.19 45.92 1ds9 s LEU 120 CO -0.03 -0.18 -0.08 -0.31 -1.06 0.00 0.00 176.35 174.69 1ds9 s TYR 121 N -0.59 2.93 -0.39 3.48 1.51 -0.34 -1.22 117.35 122.73 1ds9 s TYR 121 Ca -0.07 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1ds9 s TYR 121 Cb -0.04 -1.89 0.16 0.00 -0.11 0.00 0.00 41.96 40.08 1ds9 s TYR 121 CO 0.00 -0.07 0.32 -1.64 -1.11 0.00 0.00 175.55 173.05 1ds9 s MET 122 N 0.25 0.76 0.00 -0.62 -1.94 0.14 -0.95 119.30 116.94 1ds9 s MET 122 Ca -0.05 -1.66 0.26 0.00 -1.71 0.00 0.00 55.69 52.53 1ds9 s MET 122 Cb -0.15 -1.23 0.74 0.00 2.01 0.00 0.00 34.83 36.21 1ds9 s MET 122 CO 0.04 -1.31 1.56 -1.13 -0.01 0.00 0.00 175.02 174.17 1ds9 n SER 123 N 3.40 0.97 -2.87 3.03 3.41 -1.22 -1.37 113.62 118.98 1ds9 n SER 123 Ca 0.21 -0.83 -0.12 0.00 -0.26 0.00 0.00 58.87 57.87 1ds9 n SER 123 Cb 0.44 0.14 0.05 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.72 -0.83 -4.88 4.04 5.03 0.19 -2.85 115.26 115.25 1ds9 n ASN 124 Ca 0.12 -3.20 -0.32 0.00 0.87 0.00 0.00 54.58 52.05 1ds9 n ASN 124 Cb 0.35 0.70 -0.05 0.00 -1.02 0.00 0.00 39.78 39.75 1ds9 n ASN 124 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1ds9 s ASN 125 N -1.84 6.61 -0.60 6.41 2.20 0.19 -0.73 114.94 127.18 1ds9 s ASN 125 Ca 0.28 0.88 -0.05 0.00 -0.94 0.00 0.00 52.86 53.03 1ds9 s ASN 125 Cb 0.34 -2.21 0.16 0.00 -2.00 0.00 0.00 41.25 37.54 1ds9 s ASN 125 CO -0.06 -0.05 0.43 -0.75 -2.94 0.00 0.00 177.10 173.73 1ds9 s LYS 126 N -2.78 2.59 -0.05 3.55 2.47 0.19 -3.73 119.74 121.98 1ds9 s LYS 126 Ca 0.46 -2.34 -0.04 0.00 -1.56 0.00 0.00 55.97 52.50 1ds9 s LYS 126 Cb -0.11 -3.81 0.02 0.00 -1.46 0.00 0.00 37.83 32.47 1ds9 s LYS 126 CO 0.22 -1.17 0.13 0.42 0.16 0.00 0.00 175.35 175.10 1ds9 s ILE 127 N 0.29 -0.02 0.00 5.43 1.01 -1.26 -1.75 121.20 124.89 1ds9 s ILE 127 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1ds9 s ILE 127 Cb -0.20 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.06 1ds9 s ILE 127 CO -0.04 0.03 0.62 1.07 0.00 0.00 0.00 174.94 176.62 1ds9 n THR 128 N 3.55 0.00 -1.69 2.92 5.66 -1.26 -0.83 114.28 122.63 1ds9 n THR 128 Ca -0.19 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.42 1ds9 n THR 128 Cb 0.56 0.88 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 1ds9 n THR 128 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ds9 n ASN 129 N 0.00 8.31 -0.33 1.09 4.13 -1.26 -4.67 115.26 122.53 1ds9 n ASN 129 Ca 0.00 -2.90 0.12 0.00 1.68 0.00 0.00 54.58 53.48 1ds9 n ASN 129 Cb 0.55 -1.44 0.33 0.00 -1.54 0.00 0.00 39.78 37.67 1ds9 n ASN 129 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1ds9 h TRP 130 N 4.72 1.00 -0.99 3.10 7.01 -1.94 0.11 115.95 128.97 1ds9 h TRP 130 Ca 0.77 0.03 0.32 0.00 2.11 0.00 0.00 58.89 62.12 1ds9 h TRP 130 Cb 0.31 -0.31 -0.18 0.00 -2.10 0.00 0.00 29.16 26.88 1ds9 h TRP 130 CO 1.73 0.30 0.19 0.41 -2.79 0.00 0.00 178.44 178.27 1ds9 n GLY 131 N -1.37 -1.15 0.43 2.65 0.00 -1.26 -1.65 105.19 102.85 1ds9 n GLY 131 Ca 0.21 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.14 1ds9 n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ds9 n GLU 132 N -5.40 0.00 -0.16 1.61 1.02 -0.99 -4.71 120.64 112.01 1ds9 n GLU 132 Ca 0.28 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.62 1ds9 n GLU 132 Cb 0.93 -0.76 0.59 0.00 -0.02 0.00 0.00 31.44 32.17 1ds9 n GLU 132 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ds9 h ILE 133 N 0.00 0.70 -0.52 -3.67 2.04 -0.84 0.20 117.51 115.43 1ds9 h ILE 133 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1ds9 h ILE 133 Cb 0.91 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 1ds9 h ILE 133 CO 0.00 0.05 -0.43 -0.78 0.00 0.00 0.00 178.15 176.98 1ds9 h ASP 134 N 0.25 -1.52 0.00 1.72 3.58 -1.43 -1.58 116.42 117.45 1ds9 h ASP 134 Ca 0.39 0.21 -0.40 0.00 0.42 0.00 0.00 57.03 57.66 1ds9 h ASP 134 Cb 1.15 0.65 -0.07 0.00 1.72 0.00 0.00 39.33 42.77 1ds9 h ASP 134 CO -0.09 -0.24 -2.48 0.29 -2.88 0.00 0.00 179.24 173.84 1ds9 n LYS 135 N -4.70 0.63 0.08 0.28 4.76 -1.11 -4.36 118.16 113.74 1ds9 n LYS 135 Ca -0.01 0.16 0.20 0.00 -2.87 0.00 0.00 58.31 55.80 1ds9 n LYS 135 Cb 0.23 -1.51 0.65 0.00 -1.84 0.00 0.00 35.03 32.56 1ds9 n LYS 135 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ds9 h LEU 136 N -0.15 0.00 -3.78 -0.35 5.85 -0.65 -1.82 115.31 114.41 1ds9 h LEU 136 Ca -0.59 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 57.94 1ds9 h LEU 136 Cb 1.85 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1ds9 h LEU 136 CO -0.14 0.00 -0.14 0.00 -0.34 0.00 0.00 178.44 177.82 1ds9 n ALA 137 N -2.20 5.70 -2.99 1.25 0.00 -0.60 -4.69 120.51 116.98 1ds9 n ALA 137 Ca 0.09 -1.50 -0.18 0.00 0.00 0.00 0.00 53.44 51.85 1ds9 n ALA 137 Cb 0.81 -1.90 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.91 -0.96 -0.03 0.00 0.00 -0.84 -4.39 120.51 116.20 1ds9 n ALA 138 Ca 0.32 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.80 1ds9 n ALA 138 Cb 0.75 -2.23 0.17 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.59 0.60 -3.99 0.00 5.85 -1.57 -0.76 115.31 114.85 1ds9 h LEU 139 Ca -0.36 -0.20 -0.65 0.00 0.84 0.00 0.00 57.88 57.52 1ds9 h LEU 139 Cb 1.25 -0.16 -0.29 0.00 0.37 0.00 0.00 40.66 41.82 1ds9 h LEU 139 CO 0.44 0.81 0.80 -0.67 -0.34 0.00 0.00 178.44 179.48 1ds9 n ASP 140 N -4.13 6.93 0.00 1.25 2.03 -1.26 -4.55 116.55 116.82 1ds9 n ASP 140 Ca 0.00 -3.76 0.00 0.00 0.52 0.00 0.00 54.79 51.55 1ds9 n ASP 140 Cb 0.40 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1ds9 n ASP 140 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ds9 n LYS 141 N -0.96 0.00 0.00 -0.67 4.81 -1.14 -4.86 118.16 115.34 1ds9 n LYS 141 Ca 0.62 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1ds9 n LYS 141 Cb 0.85 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.90 1ds9 n LYS 141 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ds9 n LEU 142 N -2.23 0.00 0.00 3.14 4.77 -0.30 0.22 117.00 122.60 1ds9 n LEU 142 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ds9 n LEU 142 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ds9 n LEU 142 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 1ds9 n GLU 143 N 0.00 0.00 -4.01 3.23 1.02 -1.26 0.16 120.64 119.77 1ds9 n GLU 143 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1ds9 n GLU 143 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 1ds9 n GLU 143 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ds9 s ASP 144 N -0.71 2.86 -0.20 1.62 1.11 -0.52 0.03 116.67 120.86 1ds9 s ASP 144 Ca 0.00 -0.58 -0.09 0.00 0.18 0.00 0.00 52.55 52.05 1ds9 s ASP 144 Cb 0.00 -1.20 0.08 0.00 1.07 0.00 0.00 42.92 42.87 1ds9 s ASP 144 CO 0.00 -0.08 0.46 -1.48 1.18 0.00 0.00 175.17 175.25 1ds9 s LEU 145 N 1.46 -0.45 -0.21 1.23 2.34 -0.45 -1.25 118.68 121.36 1ds9 s LEU 145 Ca 0.04 1.04 -0.11 0.00 0.06 0.00 0.00 54.13 55.15 1ds9 s LEU 145 Cb -0.14 1.53 -0.05 0.00 -0.56 0.00 0.00 46.19 46.97 1ds9 s LEU 145 CO -0.10 -0.21 0.20 -0.22 -1.06 0.00 0.00 176.35 174.95 1ds9 s LEU 146 N 1.93 4.17 -0.29 1.48 2.96 -0.36 -0.67 118.68 127.91 1ds9 s LEU 146 Ca -0.07 0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1ds9 s LEU 146 Cb -0.09 -2.19 0.09 0.00 0.50 0.00 0.00 46.19 44.50 1ds9 s LEU 146 CO -0.14 0.09 0.08 -0.76 -1.32 0.00 0.00 176.35 174.30 1ds9 s LEU 147 N 0.78 1.99 -0.36 -0.68 1.02 -1.24 0.27 118.68 120.46 1ds9 s LEU 147 Ca 0.10 -1.47 0.13 0.00 0.02 0.00 0.00 54.13 52.91 1ds9 s LEU 147 Cb -0.13 -0.80 0.38 0.00 0.02 0.00 0.00 46.19 45.65 1ds9 s LEU 147 CO 0.03 -0.39 0.81 0.00 0.02 0.00 0.00 176.35 176.82 1ds9 n ALA 148 N 4.90 2.21 0.00 4.21 0.00 -0.47 -4.95 120.51 126.41 1ds9 n ALA 148 Ca -0.04 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.19 1ds9 n ALA 148 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.19 -0.91 0.00 0.00 0.00 -1.13 -4.34 105.19 98.99 1ds9 n GLY 149 Ca 0.20 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 0.20 1.61 0.23 -1.24 0.53 115.26 116.59 1ds9 n ASN 150 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 1ds9 n ASN 150 Cb 0.00 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.00 0.28 -0.53 0.13 -1.79 -0.38 132.00 129.71 1ds9 h PRO 151 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ds9 h PRO 151 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ds9 h PRO 151 CO 0.00 0.33 -0.13 -0.07 -0.23 0.00 0.00 178.00 177.90 1ds9 h LEU 152 N 0.00 -0.31 -0.34 1.56 3.38 -1.30 0.55 115.31 118.84 1ds9 h LEU 152 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1ds9 h LEU 152 Cb 0.78 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1ds9 h LEU 152 CO 0.04 -0.22 0.17 0.22 0.09 0.00 0.00 178.44 178.74 1ds9 h TYR 153 N -0.38 0.49 -0.03 1.13 5.03 -1.85 -1.26 116.97 120.11 1ds9 h TYR 153 Ca -0.04 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.26 1ds9 h TYR 153 Cb 0.28 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 1ds9 h TYR 153 CO 0.16 0.43 0.02 -0.91 -1.32 0.00 0.00 178.16 176.54 1ds9 h ASN 154 N 0.42 0.00 0.01 -2.11 4.21 -1.09 -1.26 115.58 115.76 1ds9 h ASN 154 Ca 0.12 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1ds9 h ASN 154 Cb 0.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1ds9 h ASN 154 CO -0.02 0.00 -0.01 0.44 -1.29 0.00 0.00 177.43 176.56 1ds9 h ASP 155 N 0.00 -0.01 0.33 5.81 5.19 0.13 -3.26 116.42 124.59 1ds9 h ASP 155 Ca 0.01 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1ds9 h ASP 155 Cb 0.06 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.54 1ds9 h ASP 155 CO -0.00 0.51 -0.45 0.22 -3.12 0.00 0.00 179.24 176.40 1ds9 h TYR 156 N -0.54 -1.25 0.00 4.55 5.03 -0.60 -3.46 116.97 120.71 1ds9 h TYR 156 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1ds9 h TYR 156 Cb 0.52 0.50 0.00 0.00 1.55 0.00 0.00 36.73 39.30 1ds9 h TYR 156 CO 0.11 -0.58 0.00 1.63 -1.32 0.00 0.00 178.16 177.99 1ds9 n LYS 157 N -5.51 0.00 -0.26 1.82 4.76 -0.57 -4.68 118.16 113.72 1ds9 n LYS 157 Ca -0.10 0.00 0.32 0.00 -2.87 0.00 0.00 58.31 55.66 1ds9 n LYS 157 Cb 0.41 0.00 0.58 0.00 -1.84 0.00 0.00 35.03 34.19 1ds9 n LYS 157 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1ds9 h GLU 158 N 0.00 0.00 0.00 1.97 4.11 -1.66 -1.54 114.58 117.46 1ds9 h GLU 158 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1ds9 h GLU 158 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1ds9 h GLU 158 CO 0.00 0.00 -0.65 0.09 0.07 0.00 0.00 179.01 178.52 1ds9 n ASN 159 N -3.51 0.28 0.00 3.06 3.02 -1.26 -4.67 115.26 112.17 1ds9 n ASN 159 Ca 0.25 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 1ds9 n ASN 159 Cb 1.45 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1ds9 n ASN 159 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ds9 n ASN 160 N 0.14 2.32 0.00 6.41 2.85 -0.61 -4.78 115.26 121.59 1ds9 n ASN 160 Ca 0.02 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.59 1ds9 n ASN 160 Cb 0.83 0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.82 1ds9 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ds9 n ALA 161 N -2.05 4.17 0.35 5.20 0.00 -0.99 -4.05 120.51 123.14 1ds9 n ALA 161 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 53.44 52.75 1ds9 n ALA 161 Cb 0.29 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 1ds9 n ALA 161 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ds9 h THR 162 N 0.00 0.34 -0.24 0.00 2.02 -1.83 0.59 112.91 113.80 1ds9 h THR 162 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1ds9 h THR 162 Cb 0.58 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1ds9 h THR 162 CO 0.00 0.01 0.05 -1.28 0.37 0.00 0.00 175.52 174.67 1ds9 h SER 163 N -0.93 0.30 -0.36 4.18 0.87 -1.83 -0.24 113.55 115.54 1ds9 h SER 163 Ca -0.09 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.37 1ds9 h SER 163 Cb 0.68 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1ds9 h SER 163 CO 0.14 0.32 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.67 1ds9 h GLU 164 N 0.33 0.74 0.28 2.24 4.81 -1.56 -0.43 114.58 121.00 1ds9 h GLU 164 Ca 0.08 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1ds9 h GLU 164 Cb 0.15 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ds9 h GLU 164 CO -0.00 0.77 -0.14 1.88 -0.73 0.00 0.00 179.01 180.79 1ds9 h TYR 165 N 0.69 -0.35 -0.17 0.92 0.05 0.19 0.32 116.97 118.62 1ds9 h TYR 165 Ca 0.14 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.95 1ds9 h TYR 165 Cb 0.45 0.12 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 1ds9 h TYR 165 CO 0.02 -0.04 -0.10 -0.09 -1.05 0.00 0.00 178.16 176.91 1ds9 h ARG 166 N -0.68 -0.08 0.20 4.88 1.12 -1.17 0.47 114.38 119.12 1ds9 h ARG 166 Ca -0.04 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1ds9 h ARG 166 Cb 0.47 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.45 1ds9 h ARG 166 CO 0.06 -0.05 -0.09 0.82 -3.11 0.00 0.00 179.97 177.59 1ds9 h ILE 167 N -0.09 0.82 -0.49 1.20 2.04 -1.06 -1.35 117.51 118.59 1ds9 h ILE 167 Ca 0.10 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1ds9 h ILE 167 Cb 0.23 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1ds9 h ILE 167 CO -0.23 0.02 0.33 -0.08 0.00 0.00 0.00 178.15 178.19 1ds9 h GLU 168 N -0.30 0.35 0.04 2.37 4.81 0.02 -0.48 114.58 121.38 1ds9 h GLU 168 Ca -0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ds9 h GLU 168 Cb 0.23 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1ds9 h GLU 168 CO 0.04 0.23 -0.02 0.28 -0.73 0.00 0.00 179.01 178.82 1ds9 h VAL 169 N 0.36 0.00 -0.55 0.32 2.07 0.67 -1.26 116.25 117.86 1ds9 h VAL 169 Ca 0.22 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.89 1ds9 h VAL 169 Cb 0.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1ds9 h VAL 169 CO -0.05 0.00 0.59 1.62 0.02 0.00 0.00 177.57 179.75 1ds9 h VAL 170 N -0.06 0.31 0.12 2.57 3.04 -1.12 0.51 116.25 121.63 1ds9 h VAL 170 Ca -0.01 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1ds9 h VAL 170 Cb 0.04 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1ds9 h VAL 170 CO 0.01 0.00 -0.06 0.50 -1.01 0.00 0.00 177.57 177.01 1ds9 h LYS 171 N 0.00 -0.16 0.00 4.17 3.64 -0.93 -3.42 116.57 119.87 1ds9 h LYS 171 Ca 0.26 0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.29 1ds9 h LYS 171 Cb 1.44 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.23 1ds9 h LYS 171 CO -0.00 -0.11 -2.35 0.54 -2.27 0.00 0.00 179.45 175.26 1ds9 n ARG 172 N -3.01 0.74 -1.66 1.90 1.74 -0.49 -4.93 116.66 110.95 1ds9 n ARG 172 Ca -0.02 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1ds9 n ARG 172 Cb 0.07 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1ds9 n ARG 172 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ds9 s LEU 173 N -5.95 4.27 -0.09 0.55 1.43 0.18 -4.89 118.68 114.17 1ds9 s LEU 173 Ca -0.22 2.55 -0.05 0.00 -1.03 0.00 0.00 54.13 55.38 1ds9 s LEU 173 Cb 0.07 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1ds9 s LEU 173 CO 0.67 -1.21 -0.09 1.55 0.23 0.00 0.00 176.35 177.50 1ds9 h PRO 174 N 11.35 0.00 0.35 1.29 0.13 -1.89 -3.42 132.00 139.81 1ds9 h PRO 174 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1ds9 h PRO 174 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ds9 h PRO 174 CO 0.94 0.00 -0.17 -0.91 -0.23 0.00 0.00 178.00 177.64 1ds9 h ASN 175 N -0.72 -0.39 -1.10 1.44 4.21 -1.84 -3.42 115.58 113.76 1ds9 h ASN 175 Ca 0.00 0.01 -0.74 0.00 1.21 0.00 0.00 56.30 56.78 1ds9 h ASN 175 Cb 0.27 0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1ds9 h ASN 175 CO 0.00 -0.22 1.08 -0.11 -1.29 0.00 0.00 177.43 176.89 1ds9 n LEU 176 N -3.59 1.91 -0.03 1.61 0.00 0.13 -4.66 117.00 112.38 1ds9 n LEU 176 Ca -0.06 0.85 -0.01 0.00 0.00 0.00 0.00 56.01 56.79 1ds9 n LEU 176 Cb 0.18 -1.10 -0.08 0.00 0.00 0.00 0.00 43.42 42.43 1ds9 n LEU 176 CO 0.14 -0.61 -0.74 0.29 0.00 0.00 0.00 177.39 176.47 1ds9 n LYS 177 N 6.31 1.71 -3.65 1.96 5.02 -0.96 -4.77 118.16 123.79 1ds9 n LYS 177 Ca 0.36 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 1ds9 n LYS 177 Cb 0.10 -1.24 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 1ds9 n LYS 177 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ds9 s LYS 178 N -2.40 1.35 -1.09 1.97 -0.14 0.10 -4.89 119.74 114.65 1ds9 s LYS 178 Ca -0.04 -2.23 -0.10 0.00 -1.36 0.00 0.00 55.97 52.23 1ds9 s LYS 178 Cb 0.04 -2.23 0.26 0.00 -1.68 0.00 0.00 37.83 34.22 1ds9 s LYS 178 CO 0.40 -1.25 1.11 -1.17 -0.76 0.00 0.00 175.35 173.68 1ds9 s LEU 179 N -0.00 6.24 -0.49 3.17 2.96 -1.26 -1.34 118.68 127.96 1ds9 s LEU 179 Ca 0.23 -3.41 -0.15 0.00 -0.22 0.00 0.00 54.13 50.58 1ds9 s LEU 179 Cb -0.13 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.34 1ds9 s LEU 179 CO -0.08 -0.38 0.62 -0.67 -1.32 0.00 0.00 176.35 174.52 1ds9 n ASP 180 N 3.20 -7.75 -0.15 3.68 2.03 0.16 -4.29 116.55 113.43 1ds9 n ASP 180 Ca 0.24 0.38 0.01 0.00 0.52 0.00 0.00 54.79 55.94 1ds9 n ASP 180 Cb 0.41 -5.12 0.03 0.00 -0.72 0.00 0.00 41.12 35.72 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 -0.55 -0.60 0.24 0.27 0.00 -1.26 -4.25 105.19 99.04 1ds9 n GLY 181 Ca 0.08 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.44 0.32 0.00 1.61 -1.53 -1.95 -1.01 114.93 112.81 1ds9 h MET 182 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1ds9 h MET 182 Cb 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.09 1ds9 h MET 182 CO 0.00 0.21 0.00 -0.35 0.14 0.00 0.00 176.91 176.91 1ds9 n PRO 183 N -5.07 0.91 -0.13 0.39 -0.04 -1.26 -4.21 135.00 125.58 1ds9 n PRO 183 Ca 0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1ds9 n PRO 183 Cb 0.34 -1.08 0.03 0.00 -0.04 0.00 0.00 33.50 32.75 1ds9 n PRO 183 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1ds9 h VAL 184 N 0.00 0.62 -5.85 0.52 -1.51 -1.49 -3.43 116.25 105.11 1ds9 h VAL 184 Ca 0.00 -0.02 -0.40 0.00 -1.23 0.00 0.00 66.70 65.06 1ds9 h VAL 184 Cb 0.00 0.57 -0.14 0.00 -2.13 0.00 0.00 31.29 29.59 1ds9 h VAL 184 CO 0.00 0.01 -0.59 0.47 -1.23 0.00 0.00 177.57 176.23 1ds9 n ASP 185 N -5.27 -3.09 -1.78 4.19 9.92 -1.26 -0.17 116.55 119.08 1ds9 n ASP 185 Ca 0.03 -0.51 -0.08 0.00 -0.53 0.00 0.00 54.79 53.70 1ds9 n ASP 185 Cb 0.23 -2.59 -0.02 0.00 -0.64 0.00 0.00 41.12 38.10 1ds9 n ASP 185 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1ds9 n VAL 186 N -3.87 -0.16 0.07 2.53 3.14 -1.26 -4.72 118.33 114.06 1ds9 n VAL 186 Ca 0.02 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.50 1ds9 n VAL 186 Cb 0.52 -0.88 -0.15 0.00 -1.06 0.00 0.00 33.84 32.26 1ds9 n VAL 186 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ds9 n ASP 187 N -0.68 0.45 0.14 6.55 -0.08 0.76 -4.28 116.55 119.40 1ds9 n ASP 187 Ca -0.08 -0.08 0.18 0.00 -1.51 0.00 0.00 54.79 53.30 1ds9 n ASP 187 Cb 0.39 1.84 0.78 0.00 2.34 0.00 0.00 41.12 46.47 1ds9 n ASP 187 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ds9 h GLU 188 N 0.00 0.00 0.00 -0.67 4.39 -1.84 1.04 114.58 117.50 1ds9 h GLU 188 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ds9 h GLU 188 Cb 0.88 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1ds9 h GLU 188 CO 0.00 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.39 1ds9 n ARG 189 N -3.88 0.37 0.06 2.33 5.12 -1.26 -2.46 116.66 116.94 1ds9 n ARG 189 Ca 0.04 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1ds9 n ARG 189 Cb 0.44 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 1ds9 n ARG 189 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ds9 n GLU 190 N -1.28 0.00 0.07 5.56 4.71 0.32 -4.37 120.64 125.65 1ds9 n GLU 190 Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.14 1ds9 n GLU 190 Cb 0.19 -0.42 -0.08 0.00 -1.01 0.00 0.00 31.44 30.12 1ds9 n GLU 190 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1ds9 h GLN 191 N 0.00 -0.15 0.00 3.49 1.08 -0.53 0.22 115.11 119.23 1ds9 h GLN 191 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ds9 h GLN 191 Cb 0.01 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1ds9 h GLN 191 CO 0.00 0.10 0.00 0.00 -0.95 0.00 0.00 178.83 177.98 1ds9 h ALA 192 N 0.47 1.00 0.19 3.87 0.00 -1.60 -0.42 119.26 122.77 1ds9 h ALA 192 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1ds9 h ALA 192 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ds9 h ALA 192 CO 0.03 0.00 -1.51 -0.97 0.00 0.00 0.00 179.25 176.79 1ds9 h ASN 193 N 0.00 0.64 0.44 0.00 -0.73 -1.14 0.88 115.58 115.67 1ds9 h ASN 193 Ca 0.00 -0.77 -0.16 0.00 1.87 0.00 0.00 56.30 57.24 1ds9 h ASN 193 Cb 0.50 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1ds9 h ASN 193 CO 0.00 1.62 -0.66 0.58 -0.37 0.00 0.00 177.43 178.60 1ds9 h VAL 194 N 0.11 1.42 0.12 2.57 2.07 -0.31 0.84 116.25 123.07 1ds9 h VAL 194 Ca -0.25 -2.14 -0.27 0.00 0.82 0.00 0.00 66.70 64.86 1ds9 h VAL 194 Cb 2.10 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1ds9 h VAL 194 CO 0.22 0.63 -1.22 0.00 0.02 0.00 0.00 177.57 177.22 1ds9 h ALA 195 N 1.16 0.12 -0.20 1.67 0.00 -1.13 -2.98 119.26 117.90 1ds9 h ALA 195 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 54.91 53.99 1ds9 h ALA 195 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ds9 h ALA 195 CO 0.10 0.96 -0.02 0.00 0.00 0.00 0.00 179.25 180.30 1ds9 h ARG 196 N 0.08 0.36 0.00 0.00 2.47 -0.72 -3.44 114.38 113.13 1ds9 h ARG 196 Ca -0.13 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1ds9 h ARG 196 Cb 1.94 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.23 1ds9 h ARG 196 CO 0.20 0.58 0.00 0.41 0.56 0.00 0.00 179.97 181.72 1ds9 n GLY 197 N -0.23 0.00 0.79 0.04 0.00 -0.50 -5.07 105.19 100.21 1ds9 n GLY 197 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ds9 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93