#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if9 n HIS 4 N 0.00 1.31 -1.74 1.57 -0.00 -1.26 -4.92 115.22 110.19 1if9 n HIS 4 Ca 0.00 0.60 -0.34 0.00 -0.00 0.00 0.00 57.72 57.97 1if9 n HIS 4 Cb 0.00 -2.25 0.06 0.00 -0.00 0.00 0.00 29.99 27.79 1if9 n HIS 4 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.34 178.01 1if9 s TRP 5 N -1.20 2.34 0.00 1.57 1.48 -1.26 -4.86 118.94 117.02 1if9 s TRP 5 Ca 0.61 1.56 0.00 0.00 -1.06 0.00 0.00 56.10 57.21 1if9 s TRP 5 Cb -0.60 -3.38 0.00 0.00 -1.16 0.00 0.00 33.47 28.33 1if9 s TRP 5 CO 0.58 -2.17 0.00 0.41 -4.06 0.00 0.00 176.95 171.71 1if9 n GLY 6 N 0.16 3.25 0.21 3.67 0.00 -0.08 -5.02 105.19 107.37 1if9 n GLY 6 Ca 0.12 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1if9 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1if9 n TYR 7 N 0.00 0.00 -2.63 1.61 4.01 -1.26 -3.96 117.16 114.93 1if9 n TYR 7 Ca 0.00 -0.54 -0.23 0.00 -0.16 0.00 0.00 57.90 56.98 1if9 n TYR 7 Cb 0.00 -0.10 0.09 0.00 -0.31 0.00 0.00 39.34 39.02 1if9 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1if9 s GLY 8 N -1.85 1.77 0.27 2.72 0.00 -1.26 -4.71 107.32 104.26 1if9 s GLY 8 Ca 0.16 -1.67 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 1if9 s GLY 8 CO 0.01 -1.17 1.85 1.70 0.00 0.00 0.00 173.10 175.49 1if9 h LYS 9 N -0.34 0.98 -0.01 2.90 3.64 -1.97 0.21 116.57 121.98 1if9 h LYS 9 Ca -0.37 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1if9 h LYS 9 Cb 1.28 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1if9 h LYS 9 CO 0.43 0.65 -0.32 0.72 -2.27 0.00 0.00 179.45 178.66 1if9 n HIS 10 N -4.61 0.00 -1.64 1.91 8.25 -1.26 -4.35 115.22 113.52 1if9 n HIS 10 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1if9 n HIS 10 Cb 0.27 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1if9 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1if9 n ASN 11 N -0.37 0.00 -3.08 0.41 6.94 -1.12 -4.68 115.26 113.36 1if9 n ASN 11 Ca 0.11 -1.42 -0.17 0.00 -0.02 0.00 0.00 54.58 53.09 1if9 n ASN 11 Cb 0.39 -0.08 0.13 0.00 -2.36 0.00 0.00 39.78 37.86 1if9 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1if9 n GLY 12 N 0.00 -1.82 0.34 4.83 0.00 0.72 -0.90 105.19 108.36 1if9 n GLY 12 Ca 0.00 -1.61 0.25 0.00 0.00 0.00 0.00 46.02 44.65 1if9 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1if9 h PRO 13 N 0.00 0.31 0.00 1.61 0.11 -1.85 0.48 132.00 132.66 1if9 h PRO 13 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1if9 h PRO 13 Cb 0.68 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1if9 h PRO 13 CO 0.16 0.20 0.00 1.05 -0.21 0.00 0.00 178.00 179.21 1if9 h GLU 14 N 0.31 0.00 0.00 1.05 9.09 -1.94 -2.46 114.58 120.64 1if9 h GLU 14 Ca 0.74 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.15 1if9 h GLU 14 Cb 1.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.82 1if9 h GLU 14 CO -0.59 0.00 -1.34 0.72 0.05 0.00 0.00 179.01 177.85 1if9 n HIS 15 N -2.84 0.17 -0.30 2.06 8.25 0.17 -4.55 115.22 118.18 1if9 n HIS 15 Ca -0.00 0.05 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 1if9 n HIS 15 Cb 0.21 -0.40 0.38 0.00 1.12 0.00 0.00 29.99 31.30 1if9 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1if9 h TRP 16 N 0.00 0.86 -0.09 4.41 6.55 -1.21 -1.99 115.95 124.49 1if9 h TRP 16 Ca 0.00 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.89 1if9 h TRP 16 Cb 0.79 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.82 1if9 h TRP 16 CO 0.00 0.27 0.16 1.12 -1.05 0.00 0.00 178.44 178.93 1if9 h HIS 17 N 0.68 0.00 -0.46 0.49 2.07 -1.77 0.30 115.15 116.47 1if9 h HIS 17 Ca 0.50 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.95 1if9 h HIS 17 Cb 0.85 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.81 1if9 h HIS 17 CO -0.00 0.00 0.02 0.87 -3.07 0.00 0.00 177.93 175.74 1if9 h LYS 18 N 0.00 0.79 0.00 5.12 1.57 -1.69 -2.83 116.57 119.53 1if9 h LYS 18 Ca 0.04 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1if9 h LYS 18 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1if9 h LYS 18 CO -0.00 0.84 -1.89 -0.25 -0.57 0.00 0.00 179.45 177.58 1if9 n ASP 19 N -4.39 0.09 -3.69 0.86 8.00 -0.86 -4.69 116.55 111.86 1if9 n ASP 19 Ca 0.00 0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.25 1if9 n ASP 19 Cb 0.29 1.83 -0.12 0.00 -0.02 0.00 0.00 41.12 43.11 1if9 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1if9 s PHE 20 N -3.50 2.34 0.57 1.24 0.08 1.00 -4.97 117.98 114.74 1if9 s PHE 20 Ca -0.07 -2.76 0.31 0.00 0.12 0.00 0.00 56.93 54.53 1if9 s PHE 20 Cb 0.14 -1.93 1.43 0.00 -0.57 0.00 0.00 43.02 42.09 1if9 s PHE 20 CO 0.90 -0.71 1.81 -1.35 -0.10 0.00 0.00 175.22 175.77 1if9 h PRO 21 N 5.91 0.00 0.00 0.24 0.11 -1.72 0.04 132.00 136.58 1if9 h PRO 21 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1if9 h PRO 21 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1if9 h PRO 21 CO 0.54 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.84 1if9 n ILE 22 N -3.85 1.20 0.02 4.15 0.13 -1.26 -2.25 119.36 117.50 1if9 n ILE 22 Ca 0.15 0.48 0.19 0.00 -1.10 0.00 0.00 62.75 62.48 1if9 n ILE 22 Cb 0.94 -1.42 0.69 0.00 -0.84 0.00 0.00 39.64 39.00 1if9 n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1if9 h ALA 23 N 2.14 2.46 -0.75 1.51 0.00 -1.31 0.24 119.26 123.56 1if9 h ALA 23 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1if9 h ALA 23 Cb 0.13 0.04 -0.21 0.00 0.00 0.00 0.00 17.79 17.75 1if9 h ALA 23 CO 0.00 -0.61 0.36 1.63 0.00 0.00 0.00 179.25 180.63 1if9 n LYS 24 N -4.38 2.51 -0.26 0.00 5.02 -0.95 -4.95 118.16 115.14 1if9 n LYS 24 Ca 0.09 -3.07 -0.06 0.00 -2.02 0.00 0.00 58.31 53.25 1if9 n LYS 24 Cb 0.57 -2.09 0.05 0.00 -0.02 0.00 0.00 35.03 33.55 1if9 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1if9 n GLY 25 N -0.90 -2.16 0.08 0.72 0.00 0.85 -5.01 105.19 98.77 1if9 n GLY 25 Ca 0.48 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1if9 n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1if9 h GLU 26 N 0.00 0.04 -2.20 1.61 4.39 -1.95 -3.39 114.58 113.08 1if9 h GLU 26 Ca -0.09 -0.07 -0.57 0.00 0.34 0.00 0.00 59.36 58.98 1if9 h GLU 26 Cb 0.26 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 28.52 1if9 h GLU 26 CO 0.06 0.77 -0.78 2.89 -1.16 0.00 0.00 179.01 180.79 1if9 n ARG 27 N -3.22 2.55 -3.29 2.33 1.85 -1.26 -4.65 116.66 110.97 1if9 n ARG 27 Ca -0.11 -4.44 -0.32 0.00 -1.00 0.00 0.00 57.85 51.98 1if9 n ARG 27 Cb 1.01 -2.08 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 1if9 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1if9 s GLN 28 N -3.03 3.84 0.24 2.89 -1.52 -1.26 -2.33 119.66 118.48 1if9 s GLN 28 Ca 0.45 0.37 0.10 0.00 -1.95 0.00 0.00 55.36 54.33 1if9 s GLN 28 Cb 0.28 -2.57 -0.05 0.00 -0.22 0.00 0.00 33.01 30.45 1if9 s GLN 28 CO -0.11 0.24 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.88 1if9 s SER 29 N -2.47 3.01 0.95 5.90 0.01 -1.26 -4.63 113.70 115.21 1if9 s SER 29 Ca 0.49 -1.03 -0.12 0.00 1.31 0.00 0.00 55.95 56.60 1if9 s SER 29 Cb -0.11 -0.21 0.19 0.00 0.21 0.00 0.00 66.02 66.10 1if9 s SER 29 CO 0.22 -0.09 1.11 -0.81 0.41 0.00 0.00 173.24 174.09 1if9 n PRO 30 N -0.49 -0.96 -4.18 12.44 -0.04 -1.26 -4.53 135.00 135.98 1if9 n PRO 30 Ca -0.07 -1.88 -0.11 0.00 -0.04 0.00 0.00 63.50 61.40 1if9 n PRO 30 Cb 0.60 -1.10 -0.10 0.00 -0.04 0.00 0.00 33.50 32.86 1if9 n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1if9 s VAL 31 N -3.40 0.14 -0.12 0.52 -7.23 -1.26 -0.34 120.40 108.71 1if9 s VAL 31 Ca 0.64 -1.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.64 1if9 s VAL 31 Cb -0.02 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1if9 s VAL 31 CO 0.45 -0.27 0.68 -0.62 -0.31 0.00 0.00 175.10 175.02 1if9 s ASP 32 N -3.11 6.88 -0.60 4.85 2.15 -1.26 -3.13 116.67 122.45 1if9 s ASP 32 Ca 0.30 1.06 -0.21 0.00 0.43 0.00 0.00 52.55 54.13 1if9 s ASP 32 Cb 0.07 -2.39 0.07 0.00 -0.30 0.00 0.00 42.92 40.38 1if9 s ASP 32 CO 0.06 -0.18 0.83 -0.63 -0.17 0.00 0.00 175.17 175.08 1if9 s ILE 33 N 1.24 4.56 -0.66 4.11 1.01 0.15 -4.92 121.20 126.69 1if9 s ILE 33 Ca 0.34 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1if9 s ILE 33 Cb -0.17 -4.54 0.04 0.00 0.01 0.00 0.00 42.46 37.80 1if9 s ILE 33 CO 0.15 -1.20 1.14 -0.62 0.00 0.00 0.00 174.94 174.40 1if9 s ASP 34 N 3.37 6.25 0.59 3.58 2.15 -1.26 -0.62 116.67 130.73 1if9 s ASP 34 Ca 0.19 -0.45 0.29 0.00 0.43 0.00 0.00 52.55 53.01 1if9 s ASP 34 Cb -0.19 -2.51 1.67 0.00 -0.30 0.00 0.00 42.92 41.59 1if9 s ASP 34 CO 0.11 -1.58 2.09 0.71 -0.17 0.00 0.00 175.17 176.32 1if9 h THR 35 N 6.04 0.44 0.00 1.71 1.35 -1.94 -1.80 112.91 118.71 1if9 h THR 35 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1if9 h THR 35 Cb 1.06 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1if9 h THR 35 CO 1.21 0.00 -0.64 0.45 -0.25 0.00 0.00 175.52 176.29 1if9 h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.02 -3.27 115.15 118.46 1if9 h HIS 36 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1if9 h HIS 36 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1if9 h HIS 36 CO 0.00 0.00 -0.90 2.41 0.86 0.00 0.00 177.93 180.30 1if9 n THR 37 N -2.81 0.02 -2.20 2.45 -1.04 -0.77 -4.91 114.28 105.01 1if9 n THR 37 Ca 0.01 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 1if9 n THR 37 Cb 0.54 0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 69.71 1if9 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1if9 s ALA 38 N -3.04 3.55 -0.28 2.41 0.00 -0.75 -4.76 121.76 118.90 1if9 s ALA 38 Ca 0.08 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.95 1if9 s ALA 38 Cb 0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1if9 s ALA 38 CO 0.82 -0.56 0.61 0.15 0.00 0.00 0.00 175.76 176.77 1if9 s LYS 39 N 0.34 4.01 0.22 0.00 -0.14 -0.18 -4.84 119.74 119.16 1if9 s LYS 39 Ca 0.60 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.30 1if9 s LYS 39 Cb -0.36 -3.68 -0.10 0.00 -1.68 0.00 0.00 37.83 32.00 1if9 s LYS 39 CO 0.35 -0.47 1.46 -0.47 -0.76 0.00 0.00 175.35 175.46 1if9 s TYR 40 N 2.51 3.06 -0.30 3.18 5.04 -1.26 -0.36 117.35 129.21 1if9 s TYR 40 Ca 0.25 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.82 1if9 s TYR 40 Cb -0.15 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.43 1if9 s TYR 40 CO 0.10 -2.77 0.08 0.34 -1.34 0.00 0.00 175.55 171.95 1if9 s ASP 41 N 0.59 4.09 0.00 4.32 -1.08 -0.03 -4.83 116.67 119.73 1if9 s ASP 41 Ca 0.62 -1.66 0.13 0.00 -0.52 0.00 0.00 52.55 51.12 1if9 s ASP 41 Cb -0.42 -1.01 0.65 0.00 -1.46 0.00 0.00 42.92 40.68 1if9 s ASP 41 CO 0.39 -0.39 1.32 -0.81 0.52 0.00 0.00 175.17 176.20 1if9 n PRO 42 N 4.74 0.19 0.00 4.34 -0.04 -1.26 -1.85 135.00 141.11 1if9 n PRO 42 Ca -0.02 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 1if9 n PRO 42 Cb 0.42 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.72 1if9 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1if9 n SER 43 N -1.28 0.51 -4.70 3.54 3.41 -1.26 -4.85 113.62 109.00 1if9 n SER 43 Ca 0.06 -0.27 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1if9 n SER 43 Cb 0.10 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1if9 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if9 s LEU 44 N -2.89 4.34 0.72 1.04 1.43 -0.77 -5.03 118.68 117.51 1if9 s LEU 44 Ca 0.14 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 1if9 s LEU 44 Cb 0.18 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.86 1if9 s LEU 44 CO 0.64 -0.47 1.09 -0.54 0.23 0.00 0.00 176.35 177.30 1if9 s LYS 45 N 1.47 2.72 0.68 1.70 3.01 -1.23 -4.96 119.74 123.13 1if9 s LYS 45 Ca 0.56 0.55 -0.13 0.00 -1.01 0.00 0.00 55.97 55.95 1if9 s LYS 45 Cb -0.26 -2.00 0.01 0.00 -1.01 0.00 0.00 37.83 34.57 1if9 s LYS 45 CO 0.26 -1.15 1.08 -2.14 0.51 0.00 0.00 175.35 173.90 1if9 s PRO 46 N -5.28 2.83 0.45 -1.68 0.02 -1.26 -3.00 135.00 127.07 1if9 s PRO 46 Ca 0.59 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 62.55 1if9 s PRO 46 Cb -0.12 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 1if9 s PRO 46 CO 0.53 -1.20 0.99 -0.51 -0.33 0.00 0.00 177.00 176.48 1if9 s LEU 47 N -5.26 3.93 -0.22 -5.54 1.43 -1.26 -1.21 118.68 110.55 1if9 s LEU 47 Ca 0.62 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1if9 s LEU 47 Cb -0.16 -4.51 0.05 0.00 0.03 0.00 0.00 46.19 41.60 1if9 s LEU 47 CO 0.48 -0.51 -0.05 -0.55 0.23 0.00 0.00 176.35 175.94 1if9 s SER 48 N -2.06 3.55 -0.28 2.29 0.15 0.57 -4.87 113.70 113.04 1if9 s SER 48 Ca 0.63 -1.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 1if9 s SER 48 Cb -0.13 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1if9 s SER 48 CO 0.17 -0.22 0.07 -0.69 1.20 0.00 0.00 173.24 173.77 1if9 s VAL 49 N 1.47 3.95 -0.62 4.45 1.01 -1.26 -0.56 120.40 128.84 1if9 s VAL 49 Ca -0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1if9 s VAL 49 Cb -0.18 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.36 1if9 s VAL 49 CO -0.07 0.14 0.41 -0.44 0.00 0.00 0.00 175.10 175.15 1if9 s SER 50 N 1.51 5.01 -0.09 3.32 0.01 0.30 -4.88 113.70 118.89 1if9 s SER 50 Ca 0.03 -2.97 0.13 0.00 1.31 0.00 0.00 55.95 54.45 1if9 s SER 50 Cb -0.17 -1.80 0.40 0.00 0.21 0.00 0.00 66.02 64.67 1if9 s SER 50 CO 0.02 -0.31 1.33 -1.22 0.41 0.00 0.00 173.24 173.46 1if9 n TYR 51 N 3.28 0.67 0.09 2.43 4.01 -1.26 -0.77 117.16 125.61 1if9 n TYR 51 Ca 0.08 -0.69 -0.00 0.00 -0.16 0.00 0.00 57.90 57.13 1if9 n TYR 51 Cb 0.36 -0.17 0.29 0.00 -0.31 0.00 0.00 39.34 39.51 1if9 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1if9 h ASP 52 N 1.83 0.27 -0.57 7.72 2.03 -1.90 -2.70 116.42 123.09 1if9 h ASP 52 Ca 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1if9 h ASP 52 Cb 1.07 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 1if9 h ASP 52 CO 0.11 0.54 0.00 0.00 -1.03 0.00 0.00 179.24 178.86 1if9 n GLN 53 N -4.14 3.01 -1.67 4.15 1.13 -1.16 -4.98 117.38 113.71 1if9 n GLN 53 Ca -0.01 -2.35 -0.45 0.00 -1.94 0.00 0.00 57.00 52.25 1if9 n GLN 53 Cb 0.38 -1.69 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 1if9 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1if9 n ALA 54 N 1.06 1.30 -3.87 -1.58 0.00 -1.02 -4.59 120.51 111.81 1if9 n ALA 54 Ca 0.21 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.78 1if9 n ALA 54 Cb 0.69 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.68 1if9 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1if9 s THR 55 N 0.32 1.88 0.37 0.00 2.01 -1.26 -4.85 115.64 114.10 1if9 s THR 55 Ca 0.72 -2.49 -0.25 0.00 0.31 0.00 0.00 61.69 59.97 1if9 s THR 55 Cb -0.65 -2.35 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 1if9 s THR 55 CO 0.45 -0.74 1.05 -0.94 -0.69 0.00 0.00 174.62 173.74 1if9 s SER 56 N 0.57 6.93 -0.12 3.53 1.04 -1.26 -0.36 113.70 124.02 1if9 s SER 56 Ca 0.14 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 58.57 1if9 s SER 56 Cb -0.22 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.26 1if9 s SER 56 CO -0.07 -0.37 -0.15 0.18 0.98 0.00 0.00 173.24 173.81 1if9 n LEU 57 N 0.25 0.83 -3.77 2.42 4.77 0.63 -3.93 117.00 118.20 1if9 n LEU 57 Ca 0.03 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.09 1if9 n LEU 57 Cb 0.49 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1if9 n LEU 57 CO 0.47 0.24 0.51 0.00 -1.33 0.00 0.00 177.39 177.29 1if9 s ARG 58 N -2.22 1.58 -0.08 3.23 1.70 -1.20 -1.06 118.95 120.91 1if9 s ARG 58 Ca -0.17 -0.84 0.03 0.00 -0.47 0.00 0.00 55.73 54.29 1if9 s ARG 58 Cb 0.06 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.99 1if9 s ARG 58 CO 0.21 -0.72 -0.18 -1.50 -1.08 0.00 0.00 175.30 172.02 1if9 s ILE 59 N -3.75 2.65 -0.04 4.99 2.07 -0.56 -0.12 121.20 126.44 1if9 s ILE 59 Ca 0.10 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1if9 s ILE 59 Cb -0.04 -2.04 0.02 0.00 0.13 0.00 0.00 42.46 40.52 1if9 s ILE 59 CO 0.03 0.56 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.34 1if9 s LEU 60 N -0.15 1.50 -0.39 8.50 2.96 0.10 -0.84 118.68 130.37 1if9 s LEU 60 Ca -0.02 -0.15 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 1if9 s LEU 60 Cb -0.14 -0.49 0.01 0.00 0.50 0.00 0.00 46.19 46.07 1if9 s LEU 60 CO 0.04 -0.01 0.60 0.21 -1.32 0.00 0.00 176.35 175.86 1if9 s ASN 61 N 0.68 6.35 -0.01 3.68 3.84 -0.32 0.05 114.94 129.22 1if9 s ASN 61 Ca -0.10 -0.11 0.20 0.00 0.21 0.00 0.00 52.86 53.07 1if9 s ASN 61 Cb -0.13 -2.30 0.59 0.00 -0.55 0.00 0.00 41.25 38.85 1if9 s ASN 61 CO 0.01 -0.63 1.49 -0.46 -2.79 0.00 0.00 177.10 174.72 1if9 n ASN 62 N 6.02 3.59 0.00 -4.21 0.23 -0.48 -1.35 115.26 119.07 1if9 n ASN 62 Ca -0.03 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1if9 n ASN 62 Cb 0.48 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1if9 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1if9 n GLY 63 N 1.51 1.91 0.00 4.83 0.00 -1.26 -4.75 105.19 107.42 1if9 n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1if9 n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1if9 n HIS 64 N -2.00 0.00 -4.04 1.61 1.44 -1.26 -4.68 115.22 106.29 1if9 n HIS 64 Ca 0.00 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.75 1if9 n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1if9 n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1if9 n ALA 65 N -0.39 -3.63 -2.93 1.59 0.00 -1.26 -4.82 120.51 109.07 1if9 n ALA 65 Ca 0.00 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 1if9 n ALA 65 Cb 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 19.45 19.32 1if9 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1if9 s PHE 66 N -2.01 2.60 -0.08 0.00 -0.71 -1.26 -1.38 117.98 115.14 1if9 s PHE 66 Ca 0.30 -0.73 -0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1if9 s PHE 66 Cb -0.00 -1.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.08 1if9 s PHE 66 CO -0.03 -0.23 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.78 1if9 s ASN 67 N 0.05 4.80 -0.31 1.98 0.02 0.11 -4.22 114.94 117.37 1if9 s ASN 67 Ca -0.08 0.00 -0.09 0.00 -1.02 0.00 0.00 52.86 51.67 1if9 s ASN 67 Cb -0.15 -1.32 -0.00 0.00 0.02 0.00 0.00 41.25 39.79 1if9 s ASN 67 CO 0.05 0.34 0.13 -0.69 0.02 0.00 0.00 177.10 176.96 1if9 s VAL 68 N -0.67 4.42 0.16 1.60 1.01 -0.17 0.02 120.40 126.76 1if9 s VAL 68 Ca 0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 1if9 s VAL 68 Cb -0.11 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.94 1if9 s VAL 68 CO 0.02 0.06 0.41 -1.61 0.00 0.00 0.00 175.10 173.98 1if9 s GLU 69 N 1.58 3.64 0.18 2.72 2.02 0.82 -1.79 118.70 127.88 1if9 s GLU 69 Ca 0.04 -0.05 0.09 0.00 0.02 0.00 0.00 54.97 55.08 1if9 s GLU 69 Cb -0.17 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1if9 s GLU 69 CO 0.05 0.43 -0.19 -0.06 0.02 0.00 0.00 175.26 175.51 1if9 s PHE 70 N -1.71 1.93 -0.57 1.61 0.40 0.08 -0.27 117.98 119.46 1if9 s PHE 70 Ca 0.42 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 56.03 1if9 s PHE 70 Cb -0.12 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.47 1if9 s PHE 70 CO 0.25 0.39 1.52 0.34 0.70 0.00 0.00 175.22 178.42 1if9 s ASP 71 N -2.79 5.94 -0.46 1.36 2.15 0.51 -4.81 116.67 118.57 1if9 s ASP 71 Ca 0.18 0.31 0.04 0.00 0.43 0.00 0.00 52.55 53.51 1if9 s ASP 71 Cb -0.06 -2.54 0.56 0.00 -0.30 0.00 0.00 42.92 40.58 1if9 s ASP 71 CO 0.08 -1.85 1.80 -0.90 -0.17 0.00 0.00 175.17 174.13 1if9 n ASP 72 N 10.23 4.61 0.04 -0.34 5.75 -1.26 -4.51 116.55 131.07 1if9 n ASP 72 Ca 0.14 -3.71 0.13 0.00 -0.01 0.00 0.00 54.79 51.33 1if9 n ASP 72 Cb 0.50 -0.80 0.34 0.00 -1.03 0.00 0.00 41.12 40.13 1if9 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1if9 n SER 73 N -1.05 0.52 -3.99 -1.12 3.41 -1.26 -4.90 113.62 105.22 1if9 n SER 73 Ca 0.54 0.21 -0.09 0.00 -0.26 0.00 0.00 58.87 59.26 1if9 n SER 73 Cb 1.22 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.93 1if9 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1if9 s GLN 74 N -3.07 1.06 -0.90 4.33 -0.21 -1.26 -5.05 119.66 114.55 1if9 s GLN 74 Ca 0.10 -1.20 -0.12 0.00 0.02 0.00 0.00 55.36 54.16 1if9 s GLN 74 Cb 0.15 0.34 -0.09 0.00 1.00 0.00 0.00 33.01 34.42 1if9 s GLN 74 CO 0.65 -0.36 2.07 -0.25 -2.12 0.00 0.00 175.29 175.27 1if9 n ASP 75 N -0.16 4.12 0.02 5.90 8.00 -1.26 -4.45 116.55 128.72 1if9 n ASP 75 Ca -0.08 -2.47 -0.22 0.00 0.71 0.00 0.00 54.79 52.73 1if9 n ASP 75 Cb 0.63 -1.14 -0.14 0.00 -0.02 0.00 0.00 41.12 40.45 1if9 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1if9 h LYS 76 N 6.83 0.27 -3.58 -1.24 1.57 -1.87 -3.44 116.57 115.11 1if9 h LYS 76 Ca 0.48 -0.46 -0.53 0.00 -1.87 0.00 0.00 60.65 58.27 1if9 h LYS 76 Cb 0.36 0.17 -0.40 0.00 0.08 0.00 0.00 32.23 32.44 1if9 h LYS 76 CO 1.65 1.22 -0.76 0.00 -0.57 0.00 0.00 179.45 180.99 1if9 s ALA 77 N -2.50 1.08 0.16 3.86 0.00 -1.25 -2.99 121.76 120.10 1if9 s ALA 77 Ca -0.20 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1if9 s ALA 77 Cb 0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1if9 s ALA 77 CO 0.78 -1.21 -0.12 0.14 0.00 0.00 0.00 175.76 175.35 1if9 s VAL 78 N 1.82 1.35 -0.12 0.00 -7.23 0.05 -1.06 120.40 115.22 1if9 s VAL 78 Ca -0.01 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1if9 s VAL 78 Cb -0.17 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1if9 s VAL 78 CO -0.09 -0.63 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.62 1if9 s LEU 79 N -3.04 2.08 0.27 1.32 2.96 0.75 -0.54 118.68 122.50 1if9 s LEU 79 Ca 0.16 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1if9 s LEU 79 Cb -0.00 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.24 1if9 s LEU 79 CO 0.03 0.12 0.16 -0.54 -1.32 0.00 0.00 176.35 174.80 1if9 s LYS 80 N 0.56 1.49 2.48 1.98 1.02 0.27 -1.32 119.74 126.23 1if9 s LYS 80 Ca -0.14 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.02 1if9 s LYS 80 Cb -0.17 0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.16 1if9 s LYS 80 CO 0.04 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1if9 n GLY 81 N -0.49 -0.66 7.00 -3.33 0.00 -1.26 -0.32 105.19 106.12 1if9 n GLY 81 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1if9 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1if9 n GLY 82 N 0.00 3.26 0.47 -0.02 0.00 -0.35 -0.83 105.19 107.72 1if9 n GLY 82 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.90 1if9 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1if9 n PRO 83 N 14.00 1.61 -3.22 1.61 -0.04 -1.26 -3.57 135.00 144.12 1if9 n PRO 83 Ca 0.00 -0.92 -0.36 0.00 -0.04 0.00 0.00 63.50 62.18 1if9 n PRO 83 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 1if9 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1if9 s LEU 84 N -1.44 4.37 -0.25 1.53 1.43 -0.01 -5.06 118.68 119.25 1if9 s LEU 84 Ca 0.29 1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 1if9 s LEU 84 Cb 0.15 -3.37 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1if9 s LEU 84 CO 0.23 0.09 -0.05 -1.81 0.23 0.00 0.00 176.35 175.04 1if9 s ASP 85 N -1.60 4.34 0.00 2.29 1.01 -1.26 -4.35 116.67 117.10 1if9 s ASP 85 Ca 0.39 -0.80 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1if9 s ASP 85 Cb -0.16 -1.68 0.00 0.00 1.01 0.00 0.00 42.92 42.08 1if9 s ASP 85 CO 0.20 -0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.07 1if9 n GLY 86 N 4.70 -3.06 3.58 0.21 0.00 -1.26 -4.96 105.19 104.39 1if9 n GLY 86 Ca -0.17 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 1if9 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1if9 s THR 87 N -0.53 4.23 -0.17 2.61 2.01 -1.26 -4.58 115.64 117.95 1if9 s THR 87 Ca 0.00 -0.24 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1if9 s THR 87 Cb 0.00 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1if9 s THR 87 CO 0.00 0.51 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.06 1if9 s TYR 88 N 0.07 2.93 0.02 4.92 1.51 -0.43 -1.28 117.35 125.08 1if9 s TYR 88 Ca 0.02 -0.64 -0.19 0.00 -1.01 0.00 0.00 57.07 55.25 1if9 s TYR 88 Cb -0.13 -1.97 -0.06 0.00 -0.11 0.00 0.00 41.96 39.69 1if9 s TYR 88 CO 0.02 -0.27 0.56 1.03 -1.11 0.00 0.00 175.55 175.77 1if9 s ARG 89 N 0.74 4.23 -0.09 -0.62 0.52 -0.03 -0.17 118.95 123.52 1if9 s ARG 89 Ca -0.03 0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 55.56 1if9 s ARG 89 Cb -0.15 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1if9 s ARG 89 CO 0.02 0.50 1.30 -1.17 0.02 0.00 0.00 175.30 175.97 1if9 s LEU 90 N -0.61 4.25 -0.16 2.53 2.96 -0.22 -1.58 118.68 125.85 1if9 s LEU 90 Ca 0.29 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1if9 s LEU 90 Cb -0.18 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 1if9 s LEU 90 CO 0.17 -0.71 -0.15 0.00 -1.32 0.00 0.00 176.35 174.34 1if9 n ILE 91 N 5.03 0.90 -3.55 6.68 3.06 0.18 -4.41 119.36 127.25 1if9 n ILE 91 Ca 0.13 -0.33 -0.10 0.00 -2.50 0.00 0.00 62.75 59.94 1if9 n ILE 91 Cb 0.45 -1.13 -0.02 0.00 0.54 0.00 0.00 39.64 39.48 1if9 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if9 s GLN 92 N -2.31 1.43 0.04 9.51 1.03 -1.19 -0.74 119.66 127.43 1if9 s GLN 92 Ca -0.21 -0.62 0.02 0.00 0.04 0.00 0.00 55.36 54.59 1if9 s GLN 92 Cb 0.06 0.59 -0.02 0.00 0.03 0.00 0.00 33.01 33.67 1if9 s GLN 92 CO 0.36 -0.63 -0.08 -0.59 -2.54 0.00 0.00 175.29 171.80 1if9 s PHE 93 N -3.79 0.71 0.32 9.60 -0.12 -0.74 -0.16 117.98 123.80 1if9 s PHE 93 Ca 0.04 -0.49 -0.10 0.00 -0.05 0.00 0.00 56.93 56.33 1if9 s PHE 93 Cb -0.02 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 41.96 1if9 s PHE 93 CO -0.07 -0.07 0.58 -3.38 -0.05 0.00 0.00 175.22 172.22 1if9 s HIS 94 N -1.35 0.52 0.22 3.49 -3.43 -0.72 -1.00 115.29 113.02 1if9 s HIS 94 Ca -0.09 -0.92 0.04 0.00 -0.80 0.00 0.00 55.06 53.29 1if9 s HIS 94 Cb -0.10 0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 31.30 1if9 s HIS 94 CO 0.01 -1.22 -0.03 -0.06 -2.00 0.00 0.00 174.74 171.44 1if9 s PHE 95 N -3.20 1.56 -0.03 0.38 0.40 -1.26 -0.59 117.98 115.23 1if9 s PHE 95 Ca 0.23 -0.87 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 1if9 s PHE 95 Cb -0.02 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.63 1if9 s PHE 95 CO 0.14 0.02 -0.10 -1.01 0.70 0.00 0.00 175.22 174.96 1if9 s HIS 96 N -3.36 1.10 0.18 0.36 3.76 -0.60 -4.74 115.29 111.99 1if9 s HIS 96 Ca 0.27 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 54.82 1if9 s HIS 96 Cb 0.05 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.92 1if9 s HIS 96 CO 0.08 -0.14 0.21 1.67 -0.85 0.00 0.00 174.74 175.70 1if9 s TRP 97 N 0.29 0.73 0.53 1.40 -2.14 -1.21 -0.97 118.94 117.57 1if9 s TRP 97 Ca -0.05 -1.06 0.07 0.00 2.66 0.00 0.00 56.10 57.72 1if9 s TRP 97 Cb -0.10 -0.28 0.04 0.00 -3.10 0.00 0.00 33.47 30.03 1if9 s TRP 97 CO 0.01 -0.68 0.53 0.20 -2.66 0.00 0.00 176.95 174.35 1if9 s GLY 98 N -3.05 2.11 0.31 3.67 0.00 -1.11 -0.76 107.32 108.50 1if9 s GLY 98 Ca 0.26 -1.67 0.24 0.00 0.00 0.00 0.00 44.72 43.55 1if9 s GLY 98 CO 0.05 -1.80 1.54 1.48 0.00 0.00 0.00 173.10 174.37 1if9 h SER 99 N 0.62 0.00 -4.57 1.64 4.64 -1.88 -3.38 113.55 110.62 1if9 h SER 99 Ca -0.36 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 60.69 1if9 h SER 99 Cb 1.29 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.21 1if9 h SER 99 CO 0.52 0.01 -0.71 -0.76 -0.87 0.00 0.00 176.83 175.02 1if9 s LEU 100 N -5.42 2.44 0.53 5.97 1.43 -1.26 -5.05 118.68 117.32 1if9 s LEU 100 Ca 0.07 -0.88 0.35 0.00 -1.03 0.00 0.00 54.13 52.64 1if9 s LEU 100 Cb 0.09 -0.15 1.72 0.00 0.03 0.00 0.00 46.19 47.88 1if9 s LEU 100 CO 0.67 -0.37 2.06 0.44 0.23 0.00 0.00 176.35 179.39 1if9 h ASP 101 N 3.38 0.00 -0.14 2.29 3.32 -1.90 -2.85 116.42 120.51 1if9 h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1if9 h ASP 101 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1if9 h ASP 101 CO 0.58 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 1if9 n GLY 102 N -0.61 -0.10 3.38 2.75 0.00 -1.26 -3.23 105.19 106.11 1if9 n GLY 102 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1if9 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1if9 s GLN 103 N -1.82 1.17 0.00 1.61 -2.07 -1.08 -4.61 119.66 112.87 1if9 s GLN 103 Ca 0.26 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 53.07 1if9 s GLN 103 Cb 0.14 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 1if9 s GLN 103 CO 0.20 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 174.11 1if9 n GLY 104 N -0.27 2.06 3.81 2.60 0.00 -0.99 -2.74 105.19 109.67 1if9 n GLY 104 Ca -0.14 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 1if9 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if9 s SER 105 N 0.00 5.20 -0.26 1.61 1.04 -0.38 -3.31 113.70 117.60 1if9 s SER 105 Ca 0.00 1.60 -0.16 0.00 0.48 0.00 0.00 55.95 57.88 1if9 s SER 105 Cb 0.00 -2.45 -0.13 0.00 0.10 0.00 0.00 66.02 63.54 1if9 s SER 105 CO 0.00 -1.55 -0.25 -0.62 0.98 0.00 0.00 173.24 171.80 1if9 n GLU 106 N -3.20 0.58 -2.82 4.02 1.02 -1.26 -4.82 120.64 114.16 1if9 n GLU 106 Ca 0.08 0.32 -0.32 0.00 -0.02 0.00 0.00 57.16 57.21 1if9 n GLU 106 Cb 0.54 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1if9 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1if9 s HIS 107 N -2.49 3.37 0.11 -0.32 3.76 -1.26 -4.32 115.29 114.13 1if9 s HIS 107 Ca -0.37 1.43 0.06 0.00 -0.15 0.00 0.00 55.06 56.04 1if9 s HIS 107 Cb 0.13 -2.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1if9 s HIS 107 CO 0.51 -0.11 -0.16 0.95 -0.85 0.00 0.00 174.74 175.08 1if9 s THR 108 N -2.23 1.41 -0.30 1.30 -4.23 -1.18 -4.67 115.64 105.74 1if9 s THR 108 Ca 0.58 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.48 1if9 s THR 108 Cb -0.10 -1.46 0.05 0.00 1.34 0.00 0.00 72.50 72.34 1if9 s THR 108 CO 0.19 -0.28 0.01 -0.69 -0.54 0.00 0.00 174.62 173.31 1if9 s VAL 109 N -1.69 2.97 -1.32 2.29 1.01 -0.95 0.30 120.40 123.00 1if9 s VAL 109 Ca 0.06 -1.44 -0.08 0.00 0.00 0.00 0.00 61.98 60.53 1if9 s VAL 109 Cb -0.07 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1if9 s VAL 109 CO 0.03 -0.14 1.02 0.47 0.00 0.00 0.00 175.10 176.49 1if9 n ASP 110 N 4.61 -6.12 0.00 3.32 8.00 0.21 -1.42 116.55 125.15 1if9 n ASP 110 Ca -0.12 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1if9 n ASP 110 Cb 0.43 -4.78 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 1if9 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if9 n LYS 111 N -4.59 -0.24 -2.78 -1.24 4.76 -1.26 -5.00 118.16 107.80 1if9 n LYS 111 Ca -0.01 0.06 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 1if9 n LYS 111 Cb 0.57 -3.39 -0.03 0.00 -1.84 0.00 0.00 35.03 30.34 1if9 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1if9 s LYS 112 N -0.48 4.35 -0.05 1.97 2.20 -0.51 -5.00 119.74 122.22 1if9 s LYS 112 Ca 0.00 1.21 -0.14 0.00 -0.36 0.00 0.00 55.97 56.68 1if9 s LYS 112 Cb 0.00 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 1if9 s LYS 112 CO 0.00 -0.34 0.36 0.15 -0.36 0.00 0.00 175.35 175.16 1if9 s LYS 113 N 2.15 3.95 0.47 4.03 1.02 -1.26 -2.23 119.74 127.86 1if9 s LYS 113 Ca 0.43 0.29 0.07 0.00 0.02 0.00 0.00 55.97 56.78 1if9 s LYS 113 Cb -0.17 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1if9 s LYS 113 CO 0.14 0.58 0.64 0.71 -0.92 0.00 0.00 175.35 176.50 1if9 s TYR 114 N -0.65 2.60 0.38 3.18 2.02 -1.26 -4.59 117.35 119.03 1if9 s TYR 114 Ca 0.22 -0.39 0.18 0.00 -0.37 0.00 0.00 57.07 56.71 1if9 s TYR 114 Cb -0.15 -2.42 1.00 0.00 -0.40 0.00 0.00 41.96 39.99 1if9 s TYR 114 CO 0.10 -0.61 1.93 0.00 -1.57 0.00 0.00 175.55 175.40 1if9 h ALA 115 N 0.47 1.37 -2.46 3.71 0.00 -1.36 -0.91 119.26 120.08 1if9 h ALA 115 Ca -0.39 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.45 1if9 h ALA 115 Cb 1.28 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1if9 h ALA 115 CO 0.45 0.32 0.50 0.00 0.00 0.00 0.00 179.25 180.52 1if9 s ALA 116 N -4.21 -1.56 -0.12 0.00 0.00 -1.18 -2.80 121.76 111.88 1if9 s ALA 116 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.77 1if9 s ALA 116 Cb 0.14 0.69 0.05 0.00 0.00 0.00 0.00 23.12 24.00 1if9 s ALA 116 CO 0.67 -1.05 0.26 -2.00 0.00 0.00 0.00 175.76 173.64 1if9 s GLU 117 N -2.81 0.19 -0.14 0.00 2.12 -0.14 -1.23 118.70 116.69 1if9 s GLU 117 Ca 0.16 0.62 -0.19 0.00 0.36 0.00 0.00 54.97 55.92 1if9 s GLU 117 Cb -0.02 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1if9 s GLU 117 CO 0.04 -0.20 0.51 -1.17 -0.54 0.00 0.00 175.26 173.89 1if9 s LEU 118 N 1.66 4.24 -0.25 2.70 2.96 0.14 -1.56 118.68 128.57 1if9 s LEU 118 Ca -0.06 0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 54.64 1if9 s LEU 118 Cb -0.11 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.89 1if9 s LEU 118 CO -0.09 -0.07 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.80 1if9 s HIS 119 N 0.98 3.10 -0.47 5.38 3.76 0.24 -0.54 115.29 127.74 1if9 s HIS 119 Ca 0.26 -1.74 -0.16 0.00 -0.15 0.00 0.00 55.06 53.27 1if9 s HIS 119 Cb -0.15 -2.03 0.06 0.00 1.11 0.00 0.00 32.58 31.57 1if9 s HIS 119 CO 0.11 -0.77 0.44 -0.51 -0.85 0.00 0.00 174.74 173.15 1if9 s LEU 120 N 1.27 5.44 -0.21 0.89 1.43 0.35 -1.75 118.68 126.10 1if9 s LEU 120 Ca -0.02 -1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 1if9 s LEU 120 Cb -0.17 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1if9 s LEU 120 CO -0.05 -0.68 0.75 -0.69 0.23 0.00 0.00 176.35 175.90 1if9 s VAL 121 N 1.86 4.92 0.10 -1.59 1.01 0.78 -1.10 120.40 126.38 1if9 s VAL 121 Ca 0.07 1.41 0.09 0.00 0.00 0.00 0.00 61.98 63.55 1if9 s VAL 121 Cb -0.23 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1if9 s VAL 121 CO 0.08 0.02 -0.23 -1.00 0.00 0.00 0.00 175.10 173.97 1if9 s HIS 122 N 2.37 1.99 0.06 5.22 3.76 -0.27 -0.65 115.29 127.76 1if9 s HIS 122 Ca 0.33 -0.40 0.07 0.00 -0.15 0.00 0.00 55.06 54.91 1if9 s HIS 122 Cb -0.16 -1.10 -0.03 0.00 1.11 0.00 0.00 32.58 32.41 1if9 s HIS 122 CO 0.10 0.24 -0.20 1.67 -0.85 0.00 0.00 174.74 175.69 1if9 s TRP 123 N -1.08 1.77 -0.21 1.40 1.48 -0.61 -0.95 118.94 120.74 1if9 s TRP 123 Ca 0.09 -0.38 -0.29 0.00 -1.06 0.00 0.00 56.10 54.46 1if9 s TRP 123 Cb -0.10 -1.04 -0.04 0.00 -1.16 0.00 0.00 33.47 31.14 1if9 s TRP 123 CO 0.05 0.11 1.78 1.21 -4.06 0.00 0.00 176.95 176.04 1if9 s ASN 124 N -1.34 6.16 0.61 -2.66 3.84 0.17 -0.85 114.94 120.87 1if9 s ASN 124 Ca 0.07 1.74 0.33 0.00 0.21 0.00 0.00 52.86 55.21 1if9 s ASN 124 Cb -0.09 -2.53 1.91 0.00 -0.55 0.00 0.00 41.25 39.99 1if9 s ASN 124 CO 0.02 -1.42 2.23 0.71 -2.79 0.00 0.00 177.10 175.85 1if9 h THR 125 N 6.35 0.37 0.00 -5.21 1.35 -1.53 -0.81 112.91 113.43 1if9 h THR 125 Ca -0.37 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1if9 h THR 125 Cb 1.18 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1if9 h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 1if9 h LYS 127 N 0.00 0.00 -0.15 4.72 2.10 -1.90 -1.35 116.57 119.99 1if9 h LYS 127 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1if9 h LYS 127 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1if9 h LYS 127 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1if9 n TYR 128 N -2.38 0.19 0.00 0.07 4.01 -0.31 -4.98 117.16 113.76 1if9 n TYR 128 Ca 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1if9 n TYR 128 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1if9 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if9 n GLY 129 N 1.20 1.32 3.22 2.72 0.00 -0.51 -4.43 105.19 108.71 1if9 n GLY 129 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 1if9 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1if9 s ASP 130 N 0.00 0.20 0.25 1.61 1.47 -1.26 -5.03 116.67 113.91 1if9 s ASP 130 Ca 0.00 -1.08 -0.05 0.00 1.18 0.00 0.00 52.55 52.60 1if9 s ASP 130 Cb 0.00 0.35 0.34 0.00 -0.34 0.00 0.00 42.92 43.27 1if9 s ASP 130 CO 0.00 -0.79 1.88 0.15 0.68 0.00 0.00 175.17 177.08 1if9 h PHE 131 N 2.74 1.11 -0.57 2.11 3.57 -1.94 -2.40 116.94 121.55 1if9 h PHE 131 Ca -0.34 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.19 1if9 h PHE 131 Cb 1.21 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1if9 h PHE 131 CO 0.42 0.60 0.34 0.78 -2.23 0.00 0.00 178.31 178.22 1if9 h GLY 132 N 1.11 0.82 0.91 2.40 0.00 -1.96 -2.45 103.07 103.91 1if9 h GLY 132 Ca 0.39 -0.33 -0.16 0.00 0.00 0.00 0.00 47.33 47.23 1if9 h GLY 132 CO -0.15 0.32 -0.54 0.50 0.00 0.00 0.00 176.54 176.67 1if9 h LYS 133 N 0.79 0.55 -0.53 4.80 6.56 -1.72 -3.26 116.57 123.76 1if9 h LYS 133 Ca 0.21 -0.45 0.04 0.00 -1.06 0.00 0.00 60.65 59.38 1if9 h LYS 133 Cb -0.03 0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.70 1if9 h LYS 133 CO -0.04 1.08 0.35 0.00 -2.06 0.00 0.00 179.45 178.79 1if9 h ALA 134 N 0.48 1.76 0.00 3.86 0.00 -1.15 -0.66 119.26 123.53 1if9 h ALA 134 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1if9 h ALA 134 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1if9 h ALA 134 CO 0.11 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.87 1if9 n VAL 135 N -4.47 0.00 -0.18 0.00 0.24 -0.95 -1.55 118.33 111.42 1if9 n VAL 135 Ca 0.06 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.42 1if9 n VAL 135 Cb 0.15 -0.57 0.16 0.00 -1.47 0.00 0.00 33.84 32.11 1if9 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1if9 n GLN 136 N -0.86 2.86 -4.51 7.34 6.02 -0.26 -4.85 117.38 123.12 1if9 n GLN 136 Ca 0.10 -2.08 -0.26 0.00 -0.01 0.00 0.00 57.00 54.75 1if9 n GLN 136 Cb 0.05 -1.28 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 1if9 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1if9 s GLN 137 N -1.00 1.35 0.49 -1.09 -1.52 -0.59 -5.04 119.66 112.25 1if9 s GLN 137 Ca 0.25 -1.10 0.14 0.00 -1.95 0.00 0.00 55.36 52.69 1if9 s GLN 137 Cb 0.13 -1.58 1.15 0.00 -0.22 0.00 0.00 33.01 32.49 1if9 s GLN 137 CO 0.17 0.39 2.11 -1.35 -0.25 0.00 0.00 175.29 176.35 1if9 h PRO 138 N 4.44 0.17 -0.17 2.91 0.11 -1.85 -1.50 132.00 136.10 1if9 h PRO 138 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1if9 h PRO 138 Cb 1.17 -0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.12 1if9 h PRO 138 CO 0.42 0.11 -0.60 -0.40 -0.21 0.00 0.00 178.00 177.32 1if9 n ASP 139 N -4.51 2.41 0.11 -2.05 5.75 -1.26 -4.26 116.55 112.74 1if9 n ASP 139 Ca -0.00 -3.79 -0.04 0.00 -0.01 0.00 0.00 54.79 50.95 1if9 n ASP 139 Cb 0.12 -0.48 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 1if9 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1if9 h GLY 140 N 1.29 0.12 -3.59 6.12 0.00 -1.01 -3.42 103.07 102.58 1if9 h GLY 140 Ca 0.07 -0.17 -0.63 0.00 0.00 0.00 0.00 47.33 46.61 1if9 h GLY 140 CO 0.18 0.15 -0.83 1.08 0.00 0.00 0.00 176.54 177.12 1if9 s LEU 141 N -7.62 2.38 -0.16 3.11 1.43 0.78 0.42 118.68 119.02 1if9 s LEU 141 Ca -0.02 -0.80 -0.04 0.00 -1.03 0.00 0.00 54.13 52.24 1if9 s LEU 141 Cb 0.12 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.32 1if9 s LEU 141 CO 0.79 0.10 0.06 0.00 0.23 0.00 0.00 176.35 177.53 1if9 s ALA 142 N -1.47 0.60 -0.21 4.21 0.00 -0.13 -0.59 121.76 124.18 1if9 s ALA 142 Ca 0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1if9 s ALA 142 Cb -0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 1if9 s ALA 142 CO 0.07 -1.07 0.02 0.08 0.00 0.00 0.00 175.76 174.86 1if9 s VAL 143 N 2.04 4.05 -0.26 0.00 1.01 -0.99 -1.12 120.40 125.14 1if9 s VAL 143 Ca 0.02 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 1if9 s VAL 143 Cb -0.16 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1if9 s VAL 143 CO -0.08 0.41 0.57 -0.22 0.00 0.00 0.00 175.10 175.78 1if9 s LEU 144 N 1.09 4.06 -0.12 3.92 2.96 -0.26 -1.70 118.68 128.62 1if9 s LEU 144 Ca 0.03 0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 54.51 1if9 s LEU 144 Cb -0.14 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1if9 s LEU 144 CO 0.02 -0.32 -0.00 -0.83 -1.32 0.00 0.00 176.35 173.89 1if9 s GLY 145 N 1.51 1.81 -0.07 7.98 0.00 0.46 -0.49 107.32 118.53 1if9 s GLY 145 Ca 0.23 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1if9 s GLY 145 CO 0.09 -0.30 -0.07 -0.42 0.00 0.00 0.00 173.10 172.39 1if9 s ILE 146 N -0.27 0.82 0.41 0.90 1.01 0.30 -1.50 121.20 122.88 1if9 s ILE 146 Ca 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 1if9 s ILE 146 Cb -0.12 -0.81 -0.11 0.00 0.01 0.00 0.00 42.46 41.43 1if9 s ILE 146 CO 0.02 0.30 0.96 -0.36 0.00 0.00 0.00 174.94 175.86 1if9 s PHE 147 N 1.07 3.35 -0.11 3.97 0.08 -1.26 0.24 117.98 125.32 1if9 s PHE 147 Ca -0.08 1.64 0.03 0.00 0.12 0.00 0.00 56.93 58.65 1if9 s PHE 147 Cb -0.14 -2.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 1if9 s PHE 147 CO -0.01 -0.13 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.24 1if9 s LEU 148 N -2.98 2.12 0.10 -0.37 1.02 -0.36 -1.17 118.68 117.04 1if9 s LEU 148 Ca 0.60 -0.56 0.08 0.00 0.02 0.00 0.00 54.13 54.28 1if9 s LEU 148 Cb -0.12 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 1if9 s LEU 148 CO 0.16 0.14 -0.18 -1.59 0.02 0.00 0.00 176.35 174.91 1if9 s LYS 149 N 0.44 1.87 -0.07 1.70 -2.85 -0.17 -1.94 119.74 118.73 1if9 s LYS 149 Ca -0.16 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.97 53.39 1if9 s LYS 149 Cb -0.17 -2.14 -0.02 0.00 -2.06 0.00 0.00 37.83 33.43 1if9 s LYS 149 CO 0.07 0.50 1.03 0.08 0.10 0.00 0.00 175.35 177.12 1if9 s VAL 150 N -1.09 4.71 0.00 1.79 1.01 -1.26 -1.10 120.40 124.45 1if9 s VAL 150 Ca 0.17 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1if9 s VAL 150 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1if9 s VAL 150 CO 0.09 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1if9 n GLY 151 N 3.08 1.43 3.86 4.51 0.00 0.92 -4.87 105.19 114.12 1if9 n GLY 151 Ca 0.08 0.29 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 1if9 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if9 s SER 152 N 2.00 6.31 0.40 1.61 1.04 -1.26 -3.80 113.70 120.00 1if9 s SER 152 Ca 0.00 1.49 -0.26 0.00 0.48 0.00 0.00 55.95 57.66 1if9 s SER 152 Cb 0.00 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 1if9 s SER 152 CO 0.00 -0.81 1.26 0.00 0.98 0.00 0.00 173.24 174.67 1if9 s ALA 153 N -2.98 3.24 -0.49 5.32 0.00 -1.26 -2.71 121.76 122.89 1if9 s ALA 153 Ca 0.57 1.16 -0.16 0.00 0.00 0.00 0.00 51.96 53.52 1if9 s ALA 153 Cb -0.11 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.64 1if9 s ALA 153 CO 0.46 -0.72 0.43 0.21 0.00 0.00 0.00 175.76 176.14 1if9 s LYS 154 N -2.21 2.99 0.26 0.00 2.47 -1.24 -4.82 119.74 117.19 1if9 s LYS 154 Ca 0.56 -1.40 -0.01 0.00 -1.56 0.00 0.00 55.97 53.56 1if9 s LYS 154 Cb -0.36 -4.16 0.56 0.00 -1.46 0.00 0.00 37.83 32.41 1if9 s LYS 154 CO 0.46 -1.10 1.70 -1.35 0.16 0.00 0.00 175.35 175.23 1if9 h PRO 155 N 8.79 0.37 0.00 4.03 0.11 -1.92 -1.20 132.00 142.18 1if9 h PRO 155 Ca -0.29 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1if9 h PRO 155 Cb 1.11 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1if9 h PRO 155 CO 0.91 0.24 -0.00 0.78 -0.21 0.00 0.00 178.00 179.73 1if9 h GLY 156 N 0.38 0.00 0.98 -0.55 0.00 -1.93 -0.89 103.07 101.06 1if9 h GLY 156 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1if9 h GLY 156 CO -0.49 0.00 -0.55 -0.10 0.00 0.00 0.00 176.54 175.41 1if9 n LEU 157 N -3.13 0.53 -0.30 3.11 7.94 -0.45 -4.38 117.00 120.31 1if9 n LEU 157 Ca -0.03 0.01 -0.04 0.00 -1.11 0.00 0.00 56.01 54.84 1if9 n LEU 157 Cb 0.08 -0.23 0.07 0.00 0.53 0.00 0.00 43.42 43.87 1if9 n LEU 157 CO 0.21 0.10 1.19 -0.61 -1.11 0.00 0.00 177.39 177.17 1if9 h GLN 158 N 0.00 1.11 -0.87 1.96 5.75 -1.16 -1.95 115.11 119.95 1if9 h GLN 158 Ca 0.00 -0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1if9 h GLN 158 Cb 0.54 -0.24 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 1if9 h GLN 158 CO 0.00 0.77 0.53 0.87 -2.65 0.00 0.00 178.83 178.35 1if9 h LYS 159 N 1.12 0.89 0.20 1.69 1.57 -1.77 -0.30 116.57 119.98 1if9 h LYS 159 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1if9 h LYS 159 Cb -0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1if9 h LYS 159 CO -0.06 0.59 -0.10 0.28 -0.57 0.00 0.00 179.45 179.60 1if9 h VAL 160 N 0.92 0.83 -0.93 0.50 2.07 -1.69 -2.86 116.25 115.10 1if9 h VAL 160 Ca 0.40 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.86 1if9 h VAL 160 Cb 0.27 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1if9 h VAL 160 CO -0.21 0.04 0.57 0.58 0.02 0.00 0.00 177.57 178.57 1if9 h VAL 161 N -0.34 0.96 -0.61 2.57 2.07 -0.64 -2.57 116.25 117.70 1if9 h VAL 161 Ca -0.03 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1if9 h VAL 161 Cb 0.27 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1if9 h VAL 161 CO 0.05 0.18 0.19 0.44 0.02 0.00 0.00 177.57 178.44 1if9 h ASP 162 N 0.96 0.85 0.81 0.57 3.32 -0.92 -2.54 116.42 119.48 1if9 h ASP 162 Ca 0.44 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1if9 h ASP 162 Cb 0.35 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1if9 h ASP 162 CO -0.23 0.80 0.00 0.55 -1.72 0.00 0.00 179.24 178.64 1if9 n VAL 163 N -4.28 0.11 0.30 -1.35 3.14 -0.98 -3.95 118.33 111.32 1if9 n VAL 163 Ca 0.05 0.03 0.16 0.00 -2.96 0.00 0.00 64.34 61.62 1if9 n VAL 163 Cb 0.21 -0.56 0.94 0.00 -1.06 0.00 0.00 33.84 33.37 1if9 n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1if9 h LEU 164 N 0.00 0.00 -1.03 6.55 3.38 -1.34 -1.35 115.31 121.52 1if9 h LEU 164 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1if9 h LEU 164 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1if9 h LEU 164 CO 0.00 0.02 0.32 0.44 0.09 0.00 0.00 178.44 179.30 1if9 h ASP 165 N 0.00 0.91 1.17 -0.43 3.32 -1.79 -2.44 116.42 117.16 1if9 h ASP 165 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1if9 h ASP 165 Cb 0.05 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1if9 h ASP 165 CO 0.00 0.79 0.00 0.28 -1.72 0.00 0.00 179.24 178.59 1if9 h SER 166 N 0.99 0.00 -0.34 6.45 0.02 -1.53 -3.23 113.55 115.91 1if9 h SER 166 Ca 0.24 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.93 1if9 h SER 166 Cb 0.13 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.42 1if9 h SER 166 CO -0.03 0.00 -0.74 2.30 -1.14 0.00 0.00 176.83 177.22 1if9 n ILE 167 N -3.01 2.03 -0.29 3.27 -5.35 -0.94 -4.65 119.36 110.41 1if9 n ILE 167 Ca 0.01 -3.39 0.16 0.00 -0.27 0.00 0.00 62.75 59.26 1if9 n ILE 167 Cb 0.34 -0.33 0.42 0.00 -1.74 0.00 0.00 39.64 38.33 1if9 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1if9 h LYS 168 N 1.63 0.57 -6.18 6.28 3.64 -1.52 -3.41 116.57 117.58 1if9 h LYS 168 Ca 0.11 -0.03 -0.55 0.00 -1.27 0.00 0.00 60.65 58.91 1if9 h LYS 168 Cb 1.33 -0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1if9 h LYS 168 CO 0.33 0.37 -0.60 0.95 -2.27 0.00 0.00 179.45 178.23 1if9 s THR 169 N -5.62 3.52 0.24 1.00 -4.23 -1.26 0.11 115.64 109.40 1if9 s THR 169 Ca -0.10 -1.78 -0.31 0.00 -1.18 0.00 0.00 61.69 58.32 1if9 s THR 169 Cb 0.23 -2.96 -0.13 0.00 1.34 0.00 0.00 72.50 70.98 1if9 s THR 169 CO 0.79 -0.33 1.43 1.17 -0.54 0.00 0.00 174.62 177.14 1if9 n LYS 170 N -1.00 2.08 0.00 3.99 4.81 0.24 -1.82 118.16 126.46 1if9 n LYS 170 Ca -0.06 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1if9 n LYS 170 Cb 0.59 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1if9 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1if9 n GLY 171 N 2.25 3.17 3.78 3.14 0.00 -0.45 -4.36 105.19 112.71 1if9 n GLY 171 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1if9 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if9 s LYS 172 N -0.45 4.33 0.04 1.61 1.02 -0.76 -4.87 119.74 120.67 1if9 s LYS 172 Ca 0.00 1.50 -0.01 0.00 0.02 0.00 0.00 55.97 57.48 1if9 s LYS 172 Cb 0.00 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1if9 s LYS 172 CO 0.00 0.01 -0.02 -1.54 -0.92 0.00 0.00 175.35 172.88 1if9 s SER 173 N -1.50 0.38 0.02 2.83 1.04 -1.26 -1.17 113.70 114.03 1if9 s SER 173 Ca 0.54 -0.79 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1if9 s SER 173 Cb -0.22 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 1if9 s SER 173 CO 0.28 -0.49 -0.04 0.00 0.98 0.00 0.00 173.24 173.98 1if9 s ALA 174 N -2.96 0.25 0.32 5.32 0.00 -0.02 -4.90 121.76 119.78 1if9 s ALA 174 Ca -0.02 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 1if9 s ALA 174 Cb 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 23.12 23.06 1if9 s ALA 174 CO -0.06 -0.04 1.55 -0.51 0.00 0.00 0.00 175.76 176.70 1if9 s ASP 175 N -0.85 6.37 -0.44 0.00 1.01 -1.26 -1.49 116.67 120.01 1if9 s ASP 175 Ca -0.07 2.98 0.07 0.00 0.71 0.00 0.00 52.55 56.24 1if9 s ASP 175 Cb -0.06 -2.65 0.24 0.00 1.01 0.00 0.00 42.92 41.46 1if9 s ASP 175 CO -0.00 -0.89 0.66 0.33 0.21 0.00 0.00 175.17 175.48 1if9 n PHE 176 N 1.53 -1.73 -2.71 4.23 7.35 -0.22 -4.73 117.46 121.17 1if9 n PHE 176 Ca 0.05 -2.74 -0.21 0.00 -0.76 0.00 0.00 57.45 53.80 1if9 n PHE 176 Cb 0.38 0.52 0.03 0.00 0.35 0.00 0.00 39.48 40.76 1if9 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1if9 s THR 177 N -0.27 2.79 -1.40 -2.13 -4.23 -1.25 -3.23 115.64 105.91 1if9 s THR 177 Ca 0.33 -0.70 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1if9 s THR 177 Cb 0.17 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 71.02 1if9 s THR 177 CO -0.17 -0.02 0.46 0.59 -0.54 0.00 0.00 174.62 174.95 1if9 n ASN 178 N -2.26 -4.90 -4.69 3.99 4.13 -1.25 -4.93 115.26 105.35 1if9 n ASN 178 Ca 0.08 -0.26 -0.38 0.00 1.68 0.00 0.00 54.58 55.70 1if9 n ASN 178 Cb 0.59 -4.02 -0.07 0.00 -1.54 0.00 0.00 39.78 34.74 1if9 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1if9 s PHE 179 N -3.01 3.41 -0.46 3.10 5.36 -1.26 -5.01 117.98 120.11 1if9 s PHE 179 Ca 0.29 0.64 -0.17 0.00 -0.96 0.00 0.00 56.93 56.73 1if9 s PHE 179 Cb -0.14 -2.49 0.05 0.00 -0.34 0.00 0.00 43.02 40.10 1if9 s PHE 179 CO 0.36 0.07 0.47 0.34 -1.46 0.00 0.00 175.22 174.99 1if9 s ASP 180 N 0.87 6.18 0.00 6.13 -1.08 -1.26 -4.32 116.67 123.19 1if9 s ASP 180 Ca 0.19 -0.98 0.10 0.00 -0.52 0.00 0.00 52.55 51.34 1if9 s ASP 180 Cb -0.14 -2.23 0.43 0.00 -1.46 0.00 0.00 42.92 39.52 1if9 s ASP 180 CO 0.07 -0.68 1.30 -0.81 0.52 0.00 0.00 175.17 175.57 1if9 n PRO 181 N 5.60 0.02 0.22 4.34 -0.04 -1.26 -2.14 135.00 141.74 1if9 n PRO 181 Ca -0.09 0.32 0.15 0.00 -0.04 0.00 0.00 63.50 63.84 1if9 n PRO 181 Cb 0.46 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.08 1if9 n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1if9 h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.64 114.38 114.44 1if9 h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1if9 h ARG 182 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1if9 h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1if9 n GLY 183 N -0.25 -0.99 0.54 0.04 0.00 -0.91 -2.68 105.19 100.93 1if9 n GLY 183 Ca 0.01 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.03 1if9 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1if9 n LEU 184 N -1.33 2.06 -4.78 0.99 4.77 -0.62 -4.28 117.00 113.81 1if9 n LEU 184 Ca 0.09 -0.83 -0.38 0.00 -0.03 0.00 0.00 56.01 54.85 1if9 n LEU 184 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1if9 n LEU 184 CO 0.16 0.38 0.51 -0.76 -1.33 0.00 0.00 177.39 176.34 1if9 s LEU 185 N -2.06 4.52 0.00 2.23 1.43 -1.09 -4.90 118.68 118.80 1if9 s LEU 185 Ca 0.18 1.65 -0.17 0.00 -1.03 0.00 0.00 54.13 54.76 1if9 s LEU 185 Cb 0.16 -3.48 0.25 0.00 0.03 0.00 0.00 46.19 43.15 1if9 s LEU 185 CO 0.41 0.13 1.13 -0.81 0.23 0.00 0.00 176.35 177.44 1if9 n PRO 186 N 1.27 -2.11 -0.06 1.29 -0.04 -1.26 -4.97 135.00 129.12 1if9 n PRO 186 Ca -0.04 -1.77 -0.13 0.00 -0.04 0.00 0.00 63.50 61.53 1if9 n PRO 186 Cb 0.49 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 1if9 n PRO 186 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1if9 h GLU 187 N 0.00 0.40 -6.08 0.54 4.81 -1.91 -3.44 114.58 108.90 1if9 h GLU 187 Ca -0.39 -0.20 -0.59 0.00 -0.13 0.00 0.00 59.36 58.04 1if9 h GLU 187 Cb 1.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1if9 h GLU 187 CO 0.27 0.75 -0.33 0.45 -0.73 0.00 0.00 179.01 179.41 1if9 s SER 188 N -6.15 6.50 -0.21 1.04 0.15 -1.26 -5.01 113.70 108.77 1if9 s SER 188 Ca -0.14 0.58 0.15 0.00 0.70 0.00 0.00 55.95 57.25 1if9 s SER 188 Cb 0.06 -2.09 0.61 0.00 -1.71 0.00 0.00 66.02 62.89 1if9 s SER 188 CO 0.76 0.12 1.53 0.18 1.20 0.00 0.00 173.24 177.03 1if9 n LEU 189 N 0.45 4.49 -4.77 3.45 4.77 -1.26 -4.71 117.00 119.42 1if9 n LEU 189 Ca -0.05 -3.05 -0.37 0.00 -0.03 0.00 0.00 56.01 52.50 1if9 n LEU 189 Cb 0.52 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1if9 n LEU 189 CO 0.46 0.70 0.86 -1.81 -1.33 0.00 0.00 177.39 176.27 1if9 s ASP 190 N -1.64 5.99 0.25 -1.43 1.01 -1.26 -4.65 116.67 114.94 1if9 s ASP 190 Ca 0.46 2.40 -0.11 0.00 0.71 0.00 0.00 52.55 56.01 1if9 s ASP 190 Cb 0.37 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1if9 s ASP 190 CO 0.10 -1.05 0.45 -0.72 0.21 0.00 0.00 175.17 174.16 1if9 s TYR 191 N -1.50 0.51 0.08 4.23 -0.85 -1.26 -0.66 117.35 117.90 1if9 s TYR 191 Ca 0.65 -0.85 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 1if9 s TYR 191 Cb -0.31 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1if9 s TYR 191 CO 0.37 -0.98 -0.19 -1.58 -1.52 0.00 0.00 175.55 171.65 1if9 s TRP 192 N -3.91 2.51 -0.02 -3.49 0.51 0.19 -0.98 118.94 113.76 1if9 s TRP 192 Ca 0.25 -0.28 -0.03 0.00 -2.12 0.00 0.00 56.10 53.92 1if9 s TRP 192 Cb 0.00 -1.39 0.00 0.00 -0.81 0.00 0.00 33.47 31.27 1if9 s TRP 192 CO 0.11 0.30 0.07 -0.08 -0.51 0.00 0.00 176.95 176.83 1if9 s THR 193 N -1.01 0.02 0.10 2.01 -1.32 0.09 -0.66 115.64 114.88 1if9 s THR 193 Ca 0.16 -0.18 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 1if9 s THR 193 Cb -0.10 -0.16 0.07 0.00 -1.51 0.00 0.00 72.50 70.79 1if9 s THR 193 CO 0.07 -0.10 0.61 -0.72 -2.21 0.00 0.00 174.62 172.27 1if9 s TYR 194 N -0.29 -0.55 -0.06 9.09 1.13 -0.93 -1.56 117.35 124.19 1if9 s TYR 194 Ca -0.03 0.51 -0.24 0.00 -1.41 0.00 0.00 57.07 55.89 1if9 s TYR 194 Cb -0.02 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 1if9 s TYR 194 CO 0.00 -0.77 0.73 -1.25 -2.51 0.00 0.00 175.55 171.75 1if9 s PRO 195 N -3.07 4.45 0.00 -3.49 0.04 -1.26 -0.82 135.00 130.85 1if9 s PRO 195 Ca -0.02 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1if9 s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1if9 s PRO 195 CO -0.07 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.43 1if9 n GLY 196 N 3.09 4.97 2.92 0.56 0.00 0.15 -4.79 105.19 112.09 1if9 n GLY 196 Ca -0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1if9 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1if9 n SER 197 N 0.00 -0.53 -4.78 1.61 3.41 -0.98 -2.41 113.62 109.94 1if9 n SER 197 Ca 0.00 -2.99 -0.36 0.00 -0.26 0.00 0.00 58.87 55.27 1if9 n SER 197 Cb 0.00 1.48 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 1if9 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if9 s LEU 198 N 0.00 3.89 0.00 1.04 1.43 0.03 -4.41 118.68 120.67 1if9 s LEU 198 Ca 0.35 2.15 0.26 0.00 -1.03 0.00 0.00 54.13 55.86 1if9 s LEU 198 Cb 0.02 -4.43 0.69 0.00 0.03 0.00 0.00 46.19 42.50 1if9 s LEU 198 CO 0.25 -0.95 1.54 0.35 0.23 0.00 0.00 176.35 177.77 1if9 n THR 199 N -0.84 0.00 -4.22 5.49 -2.24 -1.26 -4.37 114.28 106.84 1if9 n THR 199 Ca 0.09 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.35 1if9 n THR 199 Cb 0.50 0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1if9 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1if9 s THR 200 N -2.05 1.31 0.54 4.28 -4.23 -1.26 -4.62 115.64 109.62 1if9 s THR 200 Ca 0.33 -1.53 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 1if9 s THR 200 Cb 0.20 -1.36 -0.09 0.00 1.34 0.00 0.00 72.50 72.60 1if9 s THR 200 CO 0.34 -0.28 0.64 -2.65 -0.54 0.00 0.00 174.62 172.14 1if9 n PRO 201 N 0.92 0.66 0.00 3.99 -0.02 -1.26 -0.94 135.00 138.35 1if9 n PRO 201 Ca -0.18 0.25 0.05 0.00 -2.02 0.00 0.00 63.50 61.60 1if9 n PRO 201 Cb 0.55 -1.78 0.29 0.00 -0.02 0.00 0.00 33.50 32.54 1if9 n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1if9 n PRO 202 N -0.08 0.41 -2.95 0.52 -0.04 -1.26 -4.97 135.00 126.63 1if9 n PRO 202 Ca 0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.37 1if9 n PRO 202 Cb 0.46 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.56 1if9 n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1if9 n LEU 203 N -0.86 -2.02 -4.78 1.53 4.77 -0.11 -4.89 117.00 110.63 1if9 n LEU 203 Ca 0.07 -0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 1if9 n LEU 203 Cb 0.03 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 1if9 n LEU 203 CO 0.05 0.10 1.14 0.18 -1.33 0.00 0.00 177.39 177.53 1if9 n LEU 204 N -3.63 4.92 -3.77 2.23 4.77 -1.26 -4.31 117.00 115.95 1if9 n LEU 204 Ca -0.11 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 1if9 n LEU 204 Cb 0.60 -1.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 1if9 n LEU 204 CO 0.41 0.13 1.89 -0.62 -1.33 0.00 0.00 177.39 177.87 1if9 n GLU 205 N 0.30 4.17 0.00 3.23 1.02 -1.26 -0.79 120.64 127.31 1if9 n GLU 205 Ca 0.02 -3.78 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 1if9 n GLU 205 Cb 0.39 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1if9 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1if9 s VAL 207 N -0.82 5.06 -0.39 0.00 1.01 -1.01 -0.16 120.40 124.08 1if9 s VAL 207 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1if9 s VAL 207 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1if9 s VAL 207 CO 0.00 0.45 0.37 -0.89 0.00 0.00 0.00 175.10 175.03 1if9 s THR 208 N 0.35 5.16 -0.05 3.92 2.01 0.24 0.34 115.64 127.62 1if9 s THR 208 Ca 0.05 -0.32 -0.22 0.00 0.31 0.00 0.00 61.69 61.51 1if9 s THR 208 Cb -0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1if9 s THR 208 CO -0.01 -0.28 0.66 0.26 -0.69 0.00 0.00 174.62 174.56 1if9 s TRP 209 N 1.96 3.60 -0.32 4.92 0.52 0.00 -2.34 118.94 127.28 1if9 s TRP 209 Ca 0.10 1.21 0.03 0.00 0.02 0.00 0.00 56.10 57.45 1if9 s TRP 209 Cb -0.17 -2.74 0.10 0.00 -1.15 0.00 0.00 33.47 29.51 1if9 s TRP 209 CO 0.12 0.16 0.05 0.42 0.02 0.00 0.00 176.95 177.72 1if9 s ILE 210 N 0.52 1.88 -0.30 2.03 1.01 -0.69 -2.19 121.20 123.46 1if9 s ILE 210 Ca 0.35 -2.02 -0.10 0.00 0.00 0.00 0.00 60.65 58.88 1if9 s ILE 210 Cb -0.18 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1if9 s ILE 210 CO 0.17 -0.57 0.16 -0.69 0.00 0.00 0.00 174.94 174.02 1if9 s VAL 211 N 1.11 4.84 0.32 2.92 1.01 0.17 -0.40 120.40 130.37 1if9 s VAL 211 Ca 0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1if9 s VAL 211 Cb -0.19 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1if9 s VAL 211 CO -0.12 0.14 1.23 -0.76 0.00 0.00 0.00 175.10 175.59 1if9 s LEU 212 N 1.67 4.46 0.11 3.92 1.43 -0.56 -0.63 118.68 129.07 1if9 s LEU 212 Ca 0.06 2.53 -0.15 0.00 -1.03 0.00 0.00 54.13 55.54 1if9 s LEU 212 Cb -0.17 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.34 1if9 s LEU 212 CO 0.08 -0.41 1.49 0.50 0.23 0.00 0.00 176.35 178.24 1if9 h LYS 213 N 3.48 0.66 -5.58 1.70 3.64 -1.23 -3.43 116.57 115.81 1if9 h LYS 213 Ca -0.48 -0.26 -0.60 0.00 -1.27 0.00 0.00 60.65 58.03 1if9 h LYS 213 Cb 1.22 -0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.91 1if9 h LYS 213 CO 0.66 0.84 0.15 -2.00 -2.27 0.00 0.00 179.45 176.83 1if9 s GLU 214 N -4.71 4.15 0.74 1.90 2.12 -1.26 -5.02 118.70 116.62 1if9 s GLU 214 Ca -0.13 0.58 -0.11 0.00 0.36 0.00 0.00 54.97 55.67 1if9 s GLU 214 Cb 0.09 -3.62 0.04 0.00 0.26 0.00 0.00 34.13 30.90 1if9 s GLU 214 CO 0.80 -0.34 1.11 -1.25 -0.54 0.00 0.00 175.26 175.04 1if9 s PRO 215 N 2.25 2.48 0.08 4.30 0.04 -1.26 -4.67 135.00 138.21 1if9 s PRO 215 Ca 0.27 0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.60 1if9 s PRO 215 Cb -0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1if9 s PRO 215 CO 0.09 -1.25 0.06 0.96 0.04 0.00 0.00 177.00 176.91 1if9 s ILE 216 N -3.42 4.43 -0.08 0.56 -4.36 -0.32 -4.84 121.20 113.18 1if9 s ILE 216 Ca 0.59 -0.79 -0.03 0.00 -0.26 0.00 0.00 60.65 60.16 1if9 s ILE 216 Cb -0.11 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1if9 s ILE 216 CO 0.50 0.14 0.06 -0.94 0.24 0.00 0.00 174.94 174.94 1if9 s SER 217 N -2.33 5.69 0.21 4.36 1.04 -1.26 -1.00 113.70 120.41 1if9 s SER 217 Ca 0.28 0.24 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1if9 s SER 217 Cb -0.12 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 1if9 s SER 217 CO 0.21 0.36 -0.13 0.68 0.98 0.00 0.00 173.24 175.35 1if9 s VAL 218 N -1.00 1.68 0.56 5.02 -7.23 -0.26 -3.73 120.40 115.43 1if9 s VAL 218 Ca 0.16 -2.19 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 1if9 s VAL 218 Cb -0.12 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1if9 s VAL 218 CO 0.06 -0.55 0.90 -0.94 -0.31 0.00 0.00 175.10 174.26 1if9 s SER 219 N -3.33 6.10 0.27 4.85 1.04 -1.12 -0.06 113.70 121.45 1if9 s SER 219 Ca 0.23 1.07 -0.02 0.00 0.48 0.00 0.00 55.95 57.72 1if9 s SER 219 Cb 0.00 -2.22 0.44 0.00 0.10 0.00 0.00 66.02 64.35 1if9 s SER 219 CO 0.07 -0.80 1.89 -1.28 0.98 0.00 0.00 173.24 174.10 1if9 h SER 220 N -0.07 1.01 -0.24 7.02 0.87 -1.93 -0.92 113.55 119.30 1if9 h SER 220 Ca -0.46 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.05 1if9 h SER 220 Cb 1.21 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1if9 h SER 220 CO 0.62 0.64 -0.07 -0.33 -0.53 0.00 0.00 176.83 177.16 1if9 h GLU 221 N 1.14 0.60 0.03 2.24 3.07 -1.94 -0.79 114.58 118.93 1if9 h GLU 221 Ca 0.43 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1if9 h GLU 221 Cb 0.19 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1if9 h GLU 221 CO -0.17 0.67 -0.01 1.96 -1.40 0.00 0.00 179.01 180.05 1if9 h GLN 222 N 0.56 -0.03 0.00 2.33 4.20 -1.57 -2.91 115.11 117.68 1if9 h GLN 222 Ca 0.11 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1if9 h GLN 222 Cb 0.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1if9 h GLN 222 CO 0.02 0.36 -0.18 -0.39 -0.67 0.00 0.00 178.83 177.97 1if9 h VAL 223 N -0.43 0.70 -0.74 -0.54 -1.51 -1.28 -2.46 116.25 110.00 1if9 h VAL 223 Ca -0.00 -0.77 -0.04 0.00 -1.23 0.00 0.00 66.70 64.65 1if9 h VAL 223 Cb 0.40 1.48 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 1if9 h VAL 223 CO 0.01 0.18 0.29 -0.07 -1.23 0.00 0.00 177.57 176.75 1if9 h LEU 224 N 0.00 1.01 -1.73 4.19 3.38 -1.04 -1.96 115.31 119.16 1if9 h LEU 224 Ca -0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1if9 h LEU 224 Cb 0.47 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1if9 h LEU 224 CO 0.02 0.90 -0.09 0.11 0.09 0.00 0.00 178.44 179.48 1if9 h LYS 225 N 1.08 0.00 -0.30 1.13 1.57 -1.24 -2.03 116.57 116.77 1if9 h LYS 225 Ca 0.25 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1if9 h LYS 225 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1if9 h LYS 225 CO -0.02 0.09 -0.10 0.74 -0.57 0.00 0.00 179.45 179.58 1if9 h PHE 226 N 0.00 0.69 0.00 -1.35 -1.00 -1.39 -2.93 116.94 110.96 1if9 h PHE 226 Ca -0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.62 1if9 h PHE 226 Cb 0.44 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1if9 h PHE 226 CO 0.00 0.81 0.00 0.54 -1.61 0.00 0.00 178.31 178.05 1if9 n ARG 227 N -4.44 0.03 0.00 1.51 1.74 -0.77 -1.77 116.66 112.96 1if9 n ARG 227 Ca -0.03 0.31 0.12 0.00 -0.77 0.00 0.00 57.85 57.49 1if9 n ARG 227 Cb 0.34 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.59 1if9 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1if9 n LYS 228 N -1.44 0.64 -1.17 5.56 4.76 -1.10 -4.42 118.16 120.99 1if9 n LYS 228 Ca 0.03 -0.40 -0.31 0.00 -2.87 0.00 0.00 58.31 54.76 1if9 n LYS 228 Cb 0.09 -1.49 0.12 0.00 -1.84 0.00 0.00 35.03 31.91 1if9 n LYS 228 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1if9 s LEU 229 N -2.63 2.75 0.03 -0.35 2.01 -0.73 -4.87 118.68 114.90 1if9 s LEU 229 Ca 0.20 1.76 0.09 0.00 0.01 0.00 0.00 54.13 56.19 1if9 s LEU 229 Cb 0.19 -4.33 -0.03 0.00 0.01 0.00 0.00 46.19 42.03 1if9 s LEU 229 CO 0.58 -2.36 -0.25 0.20 1.01 0.00 0.00 176.35 175.53 1if9 s ASN 230 N -3.31 3.03 0.07 2.29 0.02 0.12 -0.35 114.94 116.81 1if9 s ASN 230 Ca 0.62 -0.56 -0.14 0.00 -1.02 0.00 0.00 52.86 51.77 1if9 s ASN 230 Cb -0.18 -0.28 -0.25 0.00 0.02 0.00 0.00 41.25 40.55 1if9 s ASN 230 CO 0.57 0.26 1.16 -0.26 0.02 0.00 0.00 177.10 178.84 1if9 h PHE 231 N 4.94 1.04 -4.11 2.20 0.04 -1.09 -3.33 116.94 116.62 1if9 h PHE 231 Ca -0.45 -0.60 -0.48 0.00 2.80 0.00 0.00 57.97 59.24 1if9 h PHE 231 Cb 1.14 -0.10 0.14 0.00 2.20 0.00 0.00 35.95 39.33 1if9 h PHE 231 CO 0.47 1.44 0.26 0.54 -0.60 0.00 0.00 178.31 180.41 1if9 s ASN 232 N -7.35 3.62 0.62 2.17 4.22 -1.26 -4.33 114.94 112.64 1if9 s ASN 232 Ca -0.10 1.48 -0.00 0.00 -2.14 0.00 0.00 52.86 52.10 1if9 s ASN 232 Cb 0.06 -2.16 0.06 0.00 1.28 0.00 0.00 41.25 40.49 1if9 s ASN 232 CO 0.93 -2.54 0.86 -0.83 -2.04 0.00 0.00 177.10 173.48 1if9 s GLY 233 N -3.48 1.79 0.31 0.45 0.00 -1.26 -0.59 107.32 104.55 1if9 s GLY 233 Ca 0.63 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.64 1if9 s GLY 233 CO 0.57 -1.03 1.58 1.85 0.00 0.00 0.00 173.10 176.06 1if9 s GLU 234 N -4.92 4.11 0.00 2.90 2.12 -1.26 -2.51 118.70 119.13 1if9 s GLU 234 Ca 0.60 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.53 1if9 s GLU 234 Cb -0.09 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1if9 s GLU 234 CO 0.41 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 1if9 n GLY 235 N 1.77 2.31 3.98 -1.50 0.00 -1.26 -5.04 105.19 105.45 1if9 n GLY 235 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1if9 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if9 s GLU 236 N -0.67 2.79 0.45 1.61 2.02 -1.04 -5.04 118.70 118.81 1if9 s GLU 236 Ca 0.00 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 53.89 1if9 s GLU 236 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 34.13 31.54 1if9 s GLU 236 CO 0.00 -0.43 1.45 -2.30 0.02 0.00 0.00 175.26 174.00 1if9 n PRO 237 N -2.09 2.31 -2.45 0.39 -0.02 -1.26 -4.90 135.00 126.98 1if9 n PRO 237 Ca 0.06 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1if9 n PRO 237 Cb 0.59 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 1if9 n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1if9 s GLU 238 N -2.43 4.34 -0.24 -0.52 2.12 -1.26 -4.72 118.70 116.00 1if9 s GLU 238 Ca 0.60 1.68 0.00 0.00 0.36 0.00 0.00 54.97 57.62 1if9 s GLU 238 Cb -0.45 -3.58 0.06 0.00 0.26 0.00 0.00 34.13 30.43 1if9 s GLU 238 CO 0.58 -0.48 -0.03 -2.00 -0.54 0.00 0.00 175.26 172.80 1if9 s GLU 239 N 2.34 1.43 0.26 4.30 2.56 -1.26 -5.04 118.70 123.29 1if9 s GLU 239 Ca 0.56 -0.96 -0.31 0.00 0.00 0.00 0.00 54.97 54.27 1if9 s GLU 239 Cb -0.25 -2.52 -0.12 0.00 2.00 0.00 0.00 34.13 33.25 1if9 s GLU 239 CO 0.21 -0.64 1.65 -0.51 -0.56 0.00 0.00 175.26 175.41 1if9 s LEU 240 N 1.45 4.35 -0.86 2.70 1.43 -1.26 -0.56 118.68 125.93 1if9 s LEU 240 Ca -0.04 2.93 -0.25 0.00 -1.03 0.00 0.00 54.13 55.74 1if9 s LEU 240 Cb -0.19 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.45 1if9 s LEU 240 CO -0.08 -0.94 1.36 -0.32 0.23 0.00 0.00 176.35 176.60 1if9 s MET 241 N 0.12 3.36 0.03 1.70 -2.45 0.53 -4.65 119.30 117.93 1if9 s MET 241 Ca 0.68 -0.62 -0.11 0.00 -1.25 0.00 0.00 55.69 54.39 1if9 s MET 241 Cb -0.49 -4.70 0.01 0.00 1.25 0.00 0.00 34.83 30.90 1if9 s MET 241 CO 0.42 -2.19 0.22 0.14 1.05 0.00 0.00 175.02 174.66 1if9 s VAL 242 N 5.46 0.09 -1.18 10.11 -7.23 -1.26 -4.42 120.40 121.98 1if9 s VAL 242 Ca 0.40 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.74 1if9 s VAL 242 Cb -0.05 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.12 1if9 s VAL 242 CO 0.04 -0.42 1.03 0.47 -0.31 0.00 0.00 175.10 175.91 1if9 n ASP 243 N 0.89 -5.51 -2.49 4.85 8.00 0.06 -4.83 116.55 117.52 1if9 n ASP 243 Ca -0.20 -0.48 -0.26 0.00 0.71 0.00 0.00 54.79 54.56 1if9 n ASP 243 Cb 0.58 -4.48 -0.07 0.00 -0.02 0.00 0.00 41.12 37.13 1if9 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1if9 n ASN 244 N -2.50 6.42 -4.26 -2.24 6.94 -1.13 -4.89 115.26 113.60 1if9 n ASN 244 Ca -0.02 -3.10 -0.24 0.00 -0.02 0.00 0.00 54.58 51.20 1if9 n ASN 244 Cb 0.56 -1.27 -0.13 0.00 -2.36 0.00 0.00 39.78 36.58 1if9 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1if9 s TRP 245 N -1.30 1.73 -0.14 -2.53 1.48 -1.26 -4.65 118.94 112.26 1if9 s TRP 245 Ca 0.60 -0.40 -0.10 0.00 -1.06 0.00 0.00 56.10 55.14 1if9 s TRP 245 Cb 0.36 -0.98 -0.05 0.00 -1.16 0.00 0.00 33.47 31.65 1if9 s TRP 245 CO -0.19 0.15 0.19 0.50 -4.06 0.00 0.00 176.95 173.55 1if9 s ARG 246 N -1.63 3.89 0.82 3.25 3.52 -1.26 -4.95 118.95 122.58 1if9 s ARG 246 Ca 0.06 -0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.48 1if9 s ARG 246 Cb -0.09 -3.31 0.09 0.00 -1.56 0.00 0.00 34.95 30.07 1if9 s ARG 246 CO 0.03 0.51 1.13 -1.25 -0.81 0.00 0.00 175.30 174.91 1if9 s PRO 247 N -0.28 1.77 0.28 5.12 0.04 -1.26 -4.60 135.00 136.06 1if9 s PRO 247 Ca 0.14 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 1if9 s PRO 247 Cb -0.12 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1if9 s PRO 247 CO 0.03 -2.05 1.43 0.00 0.04 0.00 0.00 177.00 176.45 1if9 n ALA 248 N -3.63 1.59 -2.87 8.56 0.00 -1.26 -4.40 120.51 118.50 1if9 n ALA 248 Ca 0.11 0.39 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 1if9 n ALA 248 Cb 0.52 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.61 1if9 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1if9 s GLN 249 N -0.86 3.09 0.25 0.00 -1.52 0.54 -4.96 119.66 116.21 1if9 s GLN 249 Ca 0.63 -0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 52.82 1if9 s GLN 249 Cb -0.58 -2.69 -0.12 0.00 -0.22 0.00 0.00 33.01 29.39 1if9 s GLN 249 CO 0.53 0.43 1.60 -2.30 -0.25 0.00 0.00 175.29 175.30 1if9 n PRO 250 N -1.03 2.58 0.06 2.91 -0.02 -1.26 -4.52 135.00 133.72 1if9 n PRO 250 Ca -0.08 0.92 -0.02 0.00 -2.02 0.00 0.00 63.50 62.30 1if9 n PRO 250 Cb 0.57 -2.70 0.23 0.00 -0.02 0.00 0.00 33.50 31.57 1if9 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1if9 h LEU 251 N 5.29 0.36 0.00 2.45 5.85 -1.93 -3.44 115.31 123.90 1if9 h LEU 251 Ca -0.46 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1if9 h LEU 251 Cb 1.23 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1if9 h LEU 251 CO 0.84 0.66 0.00 0.29 -0.34 0.00 0.00 178.44 179.89 1if9 n LYS 252 N -4.09 0.00 -2.02 1.25 5.02 -1.26 -3.24 118.16 113.81 1if9 n LYS 252 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 1if9 n LYS 252 Cb 0.43 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1if9 n LYS 252 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1if9 n ASN 253 N 2.72 6.98 -4.08 4.39 5.03 -1.26 -4.91 115.26 124.13 1if9 n ASN 253 Ca 0.00 -3.06 -0.12 0.00 0.87 0.00 0.00 54.58 52.27 1if9 n ASN 253 Cb 0.00 -1.43 -0.11 0.00 -1.02 0.00 0.00 39.78 37.22 1if9 n ASN 253 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1if9 s ARG 254 N -0.13 0.57 -0.07 3.52 0.52 -1.20 -5.10 118.95 117.06 1if9 s ARG 254 Ca 0.51 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 1if9 s ARG 254 Cb 0.15 -0.23 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 1if9 s ARG 254 CO -0.06 0.02 -0.22 -1.14 0.02 0.00 0.00 175.30 173.93 1if9 s GLN 255 N -2.06 2.49 -0.27 3.54 2.00 -1.26 -5.04 119.66 119.06 1if9 s GLN 255 Ca -0.06 -0.78 -0.16 0.00 -2.00 0.00 0.00 55.36 52.36 1if9 s GLN 255 Cb -0.07 -2.00 -0.03 0.00 0.80 0.00 0.00 33.01 31.71 1if9 s GLN 255 CO -0.01 0.24 0.42 0.42 -0.50 0.00 0.00 175.29 175.86 1if9 s ILE 256 N 0.16 5.14 0.20 -2.34 1.01 -1.26 -4.70 121.20 119.41 1if9 s ILE 256 Ca -0.11 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.22 1if9 s ILE 256 Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1if9 s ILE 256 CO 0.05 0.13 0.36 -0.54 0.00 0.00 0.00 174.94 174.95 1if9 s LYS 257 N 2.15 3.48 0.05 2.79 1.02 -0.60 -1.01 119.74 127.62 1if9 s LYS 257 Ca 0.17 -0.47 0.07 0.00 0.02 0.00 0.00 55.97 55.76 1if9 s LYS 257 Cb -0.16 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1if9 s LYS 257 CO 0.10 0.42 -0.19 0.00 -0.92 0.00 0.00 175.35 174.76 1if9 s ALA 258 N -1.87 1.64 -2.46 5.17 0.00 0.51 -0.73 121.76 124.02 1if9 s ALA 258 Ca 0.37 -1.02 0.24 0.00 0.00 0.00 0.00 51.96 51.55 1if9 s ALA 258 Cb -0.11 -0.30 0.79 0.00 0.00 0.00 0.00 23.12 23.50 1if9 s ALA 258 CO 0.29 0.36 1.59 -1.13 0.00 0.00 0.00 175.76 176.87 1if9 n SER 259 N 1.81 1.90 -4.14 0.00 3.41 -0.15 -0.85 113.62 115.60 1if9 n SER 259 Ca -0.17 -1.68 -0.11 0.00 -0.26 0.00 0.00 58.87 56.65 1if9 n SER 259 Cb 0.54 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 1if9 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1if9 s PHE 260 N -1.87 0.81 -2.45 7.33 -0.71 -1.26 -4.89 117.98 114.93 1if9 s PHE 260 Ca 0.35 -0.86 0.28 0.00 -1.04 0.00 0.00 56.93 55.66 1if9 s PHE 260 Cb 0.20 -0.48 1.13 0.00 -1.21 0.00 0.00 43.02 42.66 1if9 s PHE 260 CO 0.30 -0.16 1.79 1.17 -1.34 0.00 0.00 175.22 176.98