#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh9 s GLY 22 N 0.00 1.66 0.38 5.14 0.00 -1.26 -5.00 107.32 108.25 3kh9 s GLY 22 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 44.72 43.55 3kh9 s GLY 22 CO 0.00 -0.20 1.21 -1.35 0.00 0.00 0.00 173.10 172.76 3kh9 s SER 23 N -4.42 6.60 -0.06 1.64 1.04 -1.26 -5.02 113.70 112.23 3kh9 s SER 23 Ca 0.69 2.45 -0.00 0.00 0.48 0.00 0.00 55.95 59.57 3kh9 s SER 23 Cb -0.09 -2.63 0.03 0.00 0.10 0.00 0.00 66.02 63.43 3kh9 s SER 23 CO 0.53 -0.63 -0.01 -2.28 0.98 0.00 0.00 173.24 171.83 3kh9 s HIS 24 N -1.32 0.64 -0.21 5.02 5.04 -1.26 -5.13 115.29 118.07 3kh9 s HIS 24 Ca 0.54 -0.15 -0.09 0.00 -1.54 0.00 0.00 55.06 53.82 3kh9 s HIS 24 Cb -0.34 -0.69 -0.04 0.00 0.04 0.00 0.00 32.58 31.55 3kh9 s HIS 24 CO 0.43 -0.25 0.10 -1.64 -2.34 0.00 0.00 174.74 171.04 3kh9 s MET 25 N 1.46 4.03 0.47 2.88 -1.94 -1.26 -5.08 119.30 119.85 3kh9 s MET 25 Ca -0.03 -0.31 -0.23 0.00 -1.71 0.00 0.00 55.69 53.41 3kh9 s MET 25 Cb -0.13 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.29 3kh9 s MET 25 CO -0.03 0.19 1.25 -0.51 -0.01 0.00 0.00 175.02 175.92 3kh9 s LEU 26 N 0.63 4.01 0.61 -0.03 1.43 -1.26 -5.01 118.68 119.07 3kh9 s LEU 26 Ca 0.06 2.51 -0.15 0.00 -1.03 0.00 0.00 54.13 55.52 3kh9 s LEU 26 Cb -0.13 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 3kh9 s LEU 26 CO 0.01 -1.09 1.06 1.51 0.23 0.00 0.00 176.35 178.07 3kh9 s ASP 27 N -1.10 5.68 0.40 2.29 -4.77 -1.26 -4.94 116.67 112.97 3kh9 s ASP 27 Ca 0.64 1.81 0.19 0.00 -3.30 0.00 0.00 52.55 51.89 3kh9 s ASP 27 Cb -0.34 -2.53 1.13 0.00 -1.09 0.00 0.00 42.92 40.09 3kh9 s ASP 27 CO 0.42 -1.24 1.75 -0.65 0.70 0.00 0.00 175.17 176.15 3kh9 h PRO 28 N 0.27 0.35 0.00 2.11 0.11 -1.98 -1.04 132.00 131.81 3kh9 h PRO 28 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kh9 h PRO 28 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kh9 h PRO 28 CO 0.57 0.23 -0.07 0.66 -0.21 0.00 0.00 178.00 179.19 3kh9 h SER 29 N 0.36 0.00 0.60 -2.05 4.64 -1.95 -2.58 113.55 112.57 3kh9 h SER 29 Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3kh9 h SER 29 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3kh9 h SER 29 CO -0.32 0.07 -0.29 -0.62 -0.87 0.00 0.00 176.83 174.80 3kh9 n GLU 30 N -3.40 0.16 -2.14 4.77 1.02 -0.40 -4.02 120.64 116.63 3kh9 n GLU 30 Ca -0.02 -0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 3kh9 n GLU 30 Cb 0.22 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3kh9 n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kh9 s LEU 31 N -2.89 4.43 0.44 -4.62 1.43 -0.97 -4.92 118.68 111.58 3kh9 s LEU 31 Ca 0.15 2.63 0.22 0.00 -1.03 0.00 0.00 54.13 56.11 3kh9 s LEU 31 Cb 0.18 -3.64 1.20 0.00 0.03 0.00 0.00 46.19 43.96 3kh9 s LEU 31 CO 0.61 -0.51 1.82 -0.65 0.23 0.00 0.00 176.35 177.85 3kh9 h PRO 32 N 3.66 0.29 0.00 1.29 0.11 -1.89 -1.01 132.00 134.45 3kh9 h PRO 32 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kh9 h PRO 32 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kh9 h PRO 32 CO 0.67 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.52 3kh9 n SER 33 N -4.48 0.07 -0.20 -2.05 3.41 -1.26 -4.15 113.62 104.96 3kh9 n SER 33 Ca 0.22 0.51 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 3kh9 n SER 33 Cb 0.87 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 64.38 3kh9 n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kh9 h ALA 34 N 2.83 0.77 -0.59 7.33 0.00 -1.42 -3.00 119.26 125.19 3kh9 h ALA 34 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kh9 h ALA 34 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kh9 h ALA 34 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3kh9 n LEU 35 N -4.88 3.67 -4.68 0.00 4.77 -1.26 -4.95 117.00 109.67 3kh9 n LEU 35 Ca 0.07 -2.06 -0.45 0.00 -0.03 0.00 0.00 56.01 53.54 3kh9 n LEU 35 Cb 0.18 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 3kh9 n LEU 35 CO 0.27 0.88 1.36 -0.38 -1.33 0.00 0.00 177.39 178.19 3kh9 n ILE 36 N 1.17 0.22 -0.96 -0.08 2.08 -1.14 -1.20 119.36 119.45 3kh9 n ILE 36 Ca 0.20 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.47 3kh9 n ILE 36 Cb 0.58 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 3kh9 n ILE 36 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kh9 n GLY 37 N 3.92 0.77 3.85 7.39 0.00 0.22 -5.02 105.19 116.32 3kh9 n GLY 37 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3kh9 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kh9 s LYS 38 N -0.14 3.30 0.47 1.61 -0.14 -0.34 -4.88 119.74 119.62 3kh9 s LYS 38 Ca 0.00 -0.35 -0.24 0.00 -1.36 0.00 0.00 55.97 54.02 3kh9 s LYS 38 Cb 0.00 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.05 3kh9 s LYS 38 CO 0.00 0.68 1.37 -1.25 -0.76 0.00 0.00 175.35 175.39 3kh9 s PRO 39 N -1.68 3.58 0.13 -1.68 0.04 -1.26 -0.67 135.00 133.45 3kh9 s PRO 39 Ca 0.23 2.27 -0.35 0.00 0.04 0.00 0.00 61.00 63.20 3kh9 s PRO 39 Cb -0.12 -2.54 -0.16 0.00 0.04 0.00 0.00 34.50 31.72 3kh9 s PRO 39 CO 0.14 -0.85 1.40 0.34 0.04 0.00 0.00 177.00 178.07 3kh9 n PHE 40 N -0.40 1.76 -1.62 0.56 7.35 0.20 -4.80 117.46 120.50 3kh9 n PHE 40 Ca 0.07 0.52 -0.42 0.00 -0.76 0.00 0.00 57.45 56.85 3kh9 n PHE 40 Cb 0.43 -2.40 0.00 0.00 0.35 0.00 0.00 39.48 37.87 3kh9 n PHE 40 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3kh9 n PRO 41 N 2.69 1.49 -2.37 -7.13 -0.02 -1.26 -4.95 135.00 123.45 3kh9 n PRO 41 Ca 0.17 0.53 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 3kh9 n PRO 41 Cb 0.23 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3kh9 n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kh9 s ALA 42 N -1.21 3.00 0.13 3.55 0.00 -1.26 -4.70 121.76 121.27 3kh9 s ALA 42 Ca 0.61 0.84 -0.22 0.00 0.00 0.00 0.00 51.96 53.18 3kh9 s ALA 42 Cb -0.58 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.27 3kh9 s ALA 42 CO 0.58 -0.49 0.57 -0.59 0.00 0.00 0.00 175.76 175.83 3kh9 s PHE 43 N -1.61 -0.49 -0.28 0.00 -0.71 -1.26 -4.97 117.98 108.66 3kh9 s PHE 43 Ca 0.62 0.32 -0.04 0.00 -1.04 0.00 0.00 56.93 56.79 3kh9 s PHE 43 Cb -0.26 0.49 0.09 0.00 -1.21 0.00 0.00 43.02 42.14 3kh9 s PHE 43 CO 0.31 -0.80 0.12 0.34 -1.34 0.00 0.00 175.22 173.85 3kh9 s ASP 44 N -2.61 3.42 0.06 1.98 -1.08 -1.26 -3.75 116.67 113.43 3kh9 s ASP 44 Ca 0.00 -1.23 0.03 0.00 -0.52 0.00 0.00 52.55 50.83 3kh9 s ASP 44 Cb -0.00 -0.38 -0.03 0.00 -1.46 0.00 0.00 42.92 41.05 3kh9 s ASP 44 CO -0.11 -0.43 -0.08 -0.76 0.52 0.00 0.00 175.17 174.31 3kh9 s LEU 45 N 2.06 2.30 0.55 -1.34 1.43 -0.40 -4.94 118.68 118.35 3kh9 s LEU 45 Ca 0.08 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 3kh9 s LEU 45 Cb -0.16 -0.20 -0.06 0.00 0.03 0.00 0.00 46.19 45.81 3kh9 s LEU 45 CO -0.32 -0.23 1.13 -2.16 0.23 0.00 0.00 176.35 174.99 3kh9 s PRO 46 N -1.99 3.34 0.58 1.29 0.04 -1.26 0.19 135.00 137.18 3kh9 s PRO 46 Ca -0.05 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 3kh9 s PRO 46 Cb -0.07 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3kh9 s PRO 46 CO -0.00 -0.86 1.09 -1.54 0.04 0.00 0.00 177.00 175.73 3kh9 s SER 47 N -1.82 5.64 0.14 6.66 1.04 -0.11 -0.90 113.70 124.35 3kh9 s SER 47 Ca 0.72 1.99 -0.18 0.00 0.48 0.00 0.00 55.95 58.96 3kh9 s SER 47 Cb -0.23 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.31 3kh9 s SER 47 CO 0.28 -1.26 1.78 0.58 0.98 0.00 0.00 173.24 175.59 3kh9 h VAL 48 N 0.70 1.04 0.00 5.02 2.07 -1.36 -3.20 116.25 120.52 3kh9 h VAL 48 Ca -0.48 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3kh9 h VAL 48 Cb 1.24 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3kh9 h VAL 48 CO 0.56 0.06 -0.44 1.56 0.02 0.00 0.00 177.57 179.34 3kh9 h GLN 49 N 0.35 0.00 -2.94 1.57 4.20 -1.94 -3.42 115.11 112.94 3kh9 h GLN 49 Ca 0.11 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.33 3kh9 h GLN 49 Cb -0.01 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.36 3kh9 h GLN 49 CO -0.05 0.40 -0.76 0.34 -0.67 0.00 0.00 178.83 178.10 3kh9 s ASP 50 N -6.39 2.82 0.41 1.46 2.15 -1.21 -5.02 116.67 110.89 3kh9 s ASP 50 Ca 0.04 -0.88 0.29 0.00 0.43 0.00 0.00 52.55 52.43 3kh9 s ASP 50 Cb 0.07 -0.28 1.31 0.00 -0.30 0.00 0.00 42.92 43.73 3kh9 s ASP 50 CO 0.73 -0.39 1.87 1.55 -0.17 0.00 0.00 175.17 178.77 3kh9 h PRO 51 N 8.41 0.00 0.00 4.34 0.13 -1.82 -1.59 132.00 141.48 3kh9 h PRO 51 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3kh9 h PRO 51 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3kh9 h PRO 51 CO 0.35 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 177.82 3kh9 n ALA 52 N -1.91 2.92 -2.62 -0.56 0.00 -1.26 -4.74 120.51 112.33 3kh9 n ALA 52 Ca 0.00 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 3kh9 n ALA 52 Cb 0.21 -1.28 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 3kh9 n ALA 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kh9 s ARG 53 N -3.04 4.05 -0.08 0.00 3.52 -0.60 -5.05 118.95 117.76 3kh9 s ARG 53 Ca 0.11 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3kh9 s ARG 53 Cb 0.17 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 3kh9 s ARG 53 CO 0.64 -0.19 0.11 1.03 -0.81 0.00 0.00 175.30 176.08 3kh9 s ARG 54 N 1.80 3.30 0.15 5.12 1.81 -1.26 -0.94 118.95 128.93 3kh9 s ARG 54 Ca 0.15 -0.27 0.11 0.00 -1.72 0.00 0.00 55.73 54.00 3kh9 s ARG 54 Cb -0.15 -3.05 -0.04 0.00 -0.45 0.00 0.00 34.95 31.25 3kh9 s ARG 54 CO 0.09 0.73 -0.25 -0.51 -0.68 0.00 0.00 175.30 174.68 3kh9 s LEU 55 N -1.27 2.36 0.28 2.53 1.43 0.13 -4.90 118.68 119.24 3kh9 s LEU 55 Ca 0.18 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3kh9 s LEU 55 Cb -0.12 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3kh9 s LEU 55 CO 0.08 0.13 0.17 0.42 0.23 0.00 0.00 176.35 177.37 3kh9 s THR 56 N -1.34 0.20 0.65 5.49 -4.23 -1.26 -1.27 115.64 113.88 3kh9 s THR 56 Ca 0.15 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.05 3kh9 s THR 56 Cb -0.09 -2.51 0.41 0.00 1.34 0.00 0.00 72.50 71.64 3kh9 s THR 56 CO 0.07 0.00 2.27 1.05 -0.54 0.00 0.00 174.62 177.47 3kh9 h GLU 57 N 2.32 0.00 0.00 3.99 9.09 -1.84 -1.15 114.58 126.99 3kh9 h GLU 57 Ca -0.33 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.01 3kh9 h GLU 57 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 3kh9 h GLU 57 CO 0.50 0.00 -0.32 0.00 0.05 0.00 0.00 179.01 179.24 3kh9 h ALA 58 N 1.89 1.13 0.00 1.06 0.00 -1.96 -2.22 119.26 119.17 3kh9 h ALA 58 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3kh9 h ALA 58 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kh9 h ALA 58 CO -0.00 0.40 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 3kh9 n ASP 59 N -3.66 0.00 -0.38 0.00 8.00 -0.43 -2.71 116.55 117.36 3kh9 n ASP 59 Ca -0.01 0.41 0.12 0.00 0.71 0.00 0.00 54.79 56.02 3kh9 n ASP 59 Cb 0.43 -0.46 0.13 0.00 -0.02 0.00 0.00 41.12 41.21 3kh9 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kh9 n LEU 60 N -1.46 1.61 -4.87 0.64 4.77 -0.83 -4.96 117.00 111.90 3kh9 n LEU 60 Ca 0.05 -0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 55.15 3kh9 n LEU 60 Cb 0.17 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3kh9 n LEU 60 CO 0.14 0.30 0.29 -0.54 -1.33 0.00 0.00 177.39 176.25 3kh9 s LYS 61 N -2.52 3.84 0.00 3.23 1.02 -1.10 -4.58 119.74 119.64 3kh9 s LYS 61 Ca 0.20 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.57 3kh9 s LYS 61 Cb 0.18 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3kh9 s LYS 61 CO 0.57 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 3kh9 n GLY 62 N -0.33 3.77 3.18 -3.33 0.00 0.60 -5.04 105.19 104.04 3kh9 n GLY 62 Ca 0.01 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 3kh9 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kh9 s LYS 63 N 0.00 0.90 0.47 1.61 1.02 -1.26 -4.71 119.74 117.76 3kh9 s LYS 63 Ca 0.00 -0.93 -0.24 0.00 0.02 0.00 0.00 55.97 54.82 3kh9 s LYS 63 Cb 0.00 -0.94 -0.07 0.00 -0.52 0.00 0.00 37.83 36.30 3kh9 s LYS 63 CO 0.00 0.22 1.35 -2.14 -0.92 0.00 0.00 175.35 173.85 3kh9 s PRO 64 N -1.59 3.59 0.18 -1.68 0.02 -1.26 -4.08 135.00 130.18 3kh9 s PRO 64 Ca 0.00 2.22 -0.23 0.00 0.02 0.00 0.00 61.00 63.02 3kh9 s PRO 64 Cb -0.09 -2.53 0.06 0.00 0.02 0.00 0.00 34.50 31.96 3kh9 s PRO 64 CO 0.02 -0.83 0.66 0.00 -0.33 0.00 0.00 177.00 176.53 3kh9 s ALA 65 N -1.29 -1.53 -0.02 -1.55 0.00 -0.79 -4.44 121.76 112.14 3kh9 s ALA 65 Ca 0.64 0.32 -0.02 0.00 0.00 0.00 0.00 51.96 52.90 3kh9 s ALA 65 Cb -0.40 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3kh9 s ALA 65 CO 0.49 -0.84 0.13 -0.51 0.00 0.00 0.00 175.76 175.03 3kh9 s LEU 66 N -2.78 4.14 -0.27 0.00 1.43 0.28 -1.03 118.68 120.45 3kh9 s LEU 66 Ca 0.04 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3kh9 s LEU 66 Cb -0.02 -2.36 0.05 0.00 0.03 0.00 0.00 46.19 43.89 3kh9 s LEU 66 CO -0.07 0.29 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 3kh9 s VAL 67 N -1.21 2.52 -0.21 -1.59 1.01 0.96 -0.31 120.40 121.57 3kh9 s VAL 67 Ca 0.23 -1.45 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 3kh9 s VAL 67 Cb -0.12 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3kh9 s VAL 67 CO 0.14 -0.00 0.04 0.21 0.00 0.00 0.00 175.10 175.49 3kh9 s ASN 68 N 1.18 5.17 -0.18 3.32 3.84 0.54 -0.50 114.94 128.32 3kh9 s ASN 68 Ca -0.06 -0.12 -0.15 0.00 0.21 0.00 0.00 52.86 52.74 3kh9 s ASN 68 Cb -0.19 -1.90 -0.04 0.00 -0.55 0.00 0.00 41.25 38.56 3kh9 s ASN 68 CO -0.04 0.06 0.33 -0.69 -2.79 0.00 0.00 177.10 173.97 3kh9 s VAL 69 N 1.04 5.27 0.18 -5.21 1.01 0.69 -0.34 120.40 123.04 3kh9 s VAL 69 Ca 0.03 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 3kh9 s VAL 69 Cb -0.14 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3kh9 s VAL 69 CO 0.03 0.34 0.35 -1.66 0.00 0.00 0.00 175.10 174.15 3kh9 s TRP 70 N 0.79 0.34 0.12 5.22 1.48 -0.22 -2.87 118.94 123.80 3kh9 s TRP 70 Ca 0.17 -0.70 -0.22 0.00 -1.06 0.00 0.00 56.10 54.29 3kh9 s TRP 70 Cb -0.14 0.03 0.06 0.00 -1.16 0.00 0.00 33.47 32.27 3kh9 s TRP 70 CO 0.06 -0.79 0.55 0.20 -4.06 0.00 0.00 176.95 172.91 3kh9 s GLY 71 N -2.97 -0.52 0.46 3.67 0.00 -1.26 -1.07 107.32 105.64 3kh9 s GLY 71 Ca 0.18 0.46 0.24 0.00 0.00 0.00 0.00 44.72 45.60 3kh9 s GLY 71 CO 0.02 0.15 1.91 -0.84 0.00 0.00 0.00 173.10 174.33 3kh9 h THR 72 N 2.28 0.63 0.00 0.90 2.02 -1.92 -1.95 112.91 114.86 3kh9 h THR 72 Ca -0.33 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 65.90 3kh9 h THR 72 Cb 1.27 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 3kh9 h THR 72 CO 0.40 0.21 0.00 -2.67 0.37 0.00 0.00 175.52 173.83 3kh9 n TRP 73 N -3.53 0.00 -3.82 3.16 4.27 -1.26 -4.72 117.44 111.53 3kh9 n TRP 73 Ca -0.01 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.26 3kh9 n TRP 73 Cb 0.36 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.20 3kh9 n TRP 73 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3kh9 h PRO 75 N 7.43 0.72 -0.23 0.00 0.11 -1.86 -2.20 132.00 135.96 3kh9 h PRO 75 Ca -0.07 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3kh9 h PRO 75 Cb 0.99 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3kh9 h PRO 75 CO 0.67 0.47 0.06 0.77 -0.21 0.00 0.00 178.00 179.76 3kh9 h SER 76 N 0.74 0.30 -0.36 -2.05 0.02 -1.93 -2.48 113.55 107.79 3kh9 h SER 76 Ca 0.32 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 3kh9 h SER 76 Cb 0.29 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 3kh9 h SER 76 CO -0.11 0.31 -0.26 0.00 -1.14 0.00 0.00 176.83 175.64 3kh9 h ARG 78 N 0.74 0.99 -0.20 0.00 2.43 -1.29 -2.32 114.38 114.73 3kh9 h ARG 78 Ca 0.09 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3kh9 h ARG 78 Cb 0.81 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 3kh9 h ARG 78 CO 0.07 0.68 -0.38 0.28 -1.51 0.00 0.00 179.97 179.11 3kh9 h VAL 79 N 1.00 1.30 0.00 0.20 2.07 -1.27 -3.07 116.25 116.48 3kh9 h VAL 79 Ca 0.27 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3kh9 h VAL 79 Cb -0.07 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3kh9 h VAL 79 CO -0.05 0.47 -0.23 -0.08 0.02 0.00 0.00 177.57 177.69 3kh9 h GLU 80 N 0.38 0.00 -0.54 1.57 4.81 -0.99 -3.37 114.58 116.44 3kh9 h GLU 80 Ca 0.04 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3kh9 h GLU 80 Cb 0.84 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.13 3kh9 h GLU 80 CO 0.07 0.23 -0.00 1.25 -0.73 0.00 0.00 179.01 179.83 3kh9 h HIS 81 N 0.00 -0.04 -0.73 0.92 2.76 -1.32 -1.59 115.15 115.15 3kh9 h HIS 81 Ca -0.00 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.26 3kh9 h HIS 81 Cb 0.88 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 3kh9 h HIS 81 CO 0.00 -0.13 0.48 -1.35 -1.30 0.00 0.00 177.93 175.63 3kh9 h PRO 82 N 0.11 0.80 -0.60 5.26 0.11 -1.79 -1.46 132.00 134.43 3kh9 h PRO 82 Ca 0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 3kh9 h PRO 82 Cb 0.42 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 3kh9 h PRO 82 CO -0.46 0.53 0.09 1.49 -0.21 0.00 0.00 178.00 179.44 3kh9 h GLU 83 N 0.82 0.98 -0.59 1.05 4.57 -1.57 -0.72 114.58 119.13 3kh9 h GLU 83 Ca 0.31 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3kh9 h GLU 83 Cb 0.17 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3kh9 h GLU 83 CO -0.10 0.92 0.02 -0.07 -1.18 0.00 0.00 179.01 178.60 3kh9 h LEU 84 N 0.93 1.00 -0.45 1.64 3.38 -0.93 -1.10 115.31 119.78 3kh9 h LEU 84 Ca 0.19 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kh9 h LEU 84 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3kh9 h LEU 84 CO 0.01 1.05 0.24 0.74 0.09 0.00 0.00 178.44 180.57 3kh9 h THR 85 N 0.92 1.16 -0.87 0.22 2.02 -1.17 -1.21 112.91 113.99 3kh9 h THR 85 Ca 0.17 -0.43 0.11 0.00 0.77 0.00 0.00 66.41 67.02 3kh9 h THR 85 Cb 0.53 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 3kh9 h THR 85 CO 0.03 0.17 0.51 -0.09 0.37 0.00 0.00 175.52 176.51 3kh9 h ARG 86 N 0.58 0.80 -0.27 6.66 2.43 -0.77 0.37 114.38 124.18 3kh9 h ARG 86 Ca 0.16 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 3kh9 h ARG 86 Cb 0.06 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3kh9 h ARG 86 CO -0.02 0.53 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.61 3kh9 h LEU 87 N 0.82 0.72 -1.05 3.80 3.38 -0.87 -3.06 115.31 119.06 3kh9 h LEU 87 Ca 0.43 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kh9 h LEU 87 Cb 0.42 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3kh9 h LEU 87 CO -0.26 1.05 0.64 0.00 0.09 0.00 0.00 178.44 179.95 3kh9 h ALA 88 N 0.69 1.37 0.00 1.53 0.00 -0.79 -0.91 119.26 121.15 3kh9 h ALA 88 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kh9 h ALA 88 Cb 0.85 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kh9 h ALA 88 CO 0.07 0.54 -0.05 0.93 0.00 0.00 0.00 179.25 180.74 3kh9 h GLU 89 N 1.23 0.00 -0.48 0.00 5.08 -0.89 -0.49 114.58 119.03 3kh9 h GLU 89 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3kh9 h GLU 89 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kh9 h GLU 89 CO -0.12 0.05 0.00 1.04 -1.00 0.00 0.00 179.01 178.98 3kh9 n GLN 90 N -3.59 2.38 -0.27 2.33 6.02 -0.50 -4.93 117.38 118.82 3kh9 n GLN 90 Ca -0.02 -2.12 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 3kh9 n GLN 90 Cb 0.15 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3kh9 n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kh9 n GLY 91 N 1.46 0.85 3.66 1.08 0.00 -0.19 -5.04 105.19 107.01 3kh9 n GLY 91 Ca 0.20 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3kh9 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh9 s VAL 92 N -2.00 4.68 -0.04 1.61 1.01 -0.47 -4.97 120.40 120.22 3kh9 s VAL 92 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 3kh9 s VAL 92 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3kh9 s VAL 92 CO 0.00 -0.16 1.27 -0.69 0.00 0.00 0.00 175.10 175.52 3kh9 s VAL 93 N 3.08 4.07 -0.07 2.92 1.01 -1.26 -3.95 120.40 126.21 3kh9 s VAL 93 Ca 0.45 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.85 3kh9 s VAL 93 Cb -0.16 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.33 3kh9 s VAL 93 CO 0.08 -0.00 -0.07 -0.63 0.00 0.00 0.00 175.10 174.48 3kh9 s ILE 94 N 2.26 0.79 -0.01 2.22 1.01 -1.26 -0.56 121.20 125.66 3kh9 s ILE 94 Ca 0.58 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.03 3kh9 s ILE 94 Cb -0.27 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 3kh9 s ILE 94 CO 0.23 0.30 -0.03 -0.31 0.00 0.00 0.00 174.94 175.13 3kh9 s TYR 95 N 1.19 3.00 -0.16 3.97 2.02 0.58 -0.53 117.35 127.42 3kh9 s TYR 95 Ca -0.06 0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 3kh9 s TYR 95 Cb -0.14 -1.66 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3kh9 s TYR 95 CO -0.02 0.42 -0.04 0.20 -1.57 0.00 0.00 175.55 174.53 3kh9 s GLY 96 N -1.39 1.70 -0.41 0.71 0.00 0.68 -0.34 107.32 108.28 3kh9 s GLY 96 Ca 0.17 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.92 3kh9 s GLY 96 CO 0.08 -0.05 0.27 -0.42 0.00 0.00 0.00 173.10 172.98 3kh9 s ILE 97 N 0.43 4.88 -0.64 0.90 1.01 0.54 0.06 121.20 128.38 3kh9 s ILE 97 Ca -0.04 -0.87 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 3kh9 s ILE 97 Cb -0.14 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.59 3kh9 s ILE 97 CO 0.03 -0.34 1.16 0.21 0.00 0.00 0.00 174.94 176.01 3kh9 s ASN 98 N 1.79 6.31 -0.26 3.58 3.04 0.61 -1.06 114.94 128.96 3kh9 s ASN 98 Ca 0.03 -0.25 -0.12 0.00 0.04 0.00 0.00 52.86 52.56 3kh9 s ASN 98 Cb -0.20 -2.53 -0.05 0.00 -1.54 0.00 0.00 41.25 36.94 3kh9 s ASN 98 CO 0.07 -1.56 0.25 -0.47 -3.04 0.00 0.00 177.10 172.35 3kh9 s TYR 99 N 4.98 3.27 -1.32 0.43 5.04 -0.23 -1.11 117.35 128.42 3kh9 s TYR 99 Ca 0.36 0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 55.10 3kh9 s TYR 99 Cb -0.09 -2.41 0.01 0.00 0.35 0.00 0.00 41.96 39.82 3kh9 s TYR 99 CO 0.20 -0.09 0.48 1.63 -1.34 0.00 0.00 175.55 176.43 3kh9 n LYS 100 N 4.83 -1.27 -4.49 4.97 5.02 -0.61 -4.67 118.16 121.94 3kh9 n LYS 100 Ca -0.12 0.23 -0.23 0.00 -2.02 0.00 0.00 58.31 56.16 3kh9 n LYS 100 Cb 0.52 -3.53 -0.11 0.00 -0.02 0.00 0.00 35.03 31.89 3kh9 n LYS 100 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kh9 s ASP 101 N -3.91 3.02 -0.23 4.39 2.15 -1.26 -5.00 116.67 115.83 3kh9 s ASP 101 Ca 0.27 -1.29 -0.29 0.00 0.43 0.00 0.00 52.55 51.67 3kh9 s ASP 101 Cb -0.13 -0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.28 3kh9 s ASP 101 CO 0.94 -0.43 1.04 -0.62 -0.17 0.00 0.00 175.17 175.93 3kh9 s ASP 102 N -3.54 7.09 0.14 -0.34 2.15 -1.26 -4.92 116.67 115.99 3kh9 s ASP 102 Ca 0.33 1.36 -0.16 0.00 0.43 0.00 0.00 52.55 54.51 3kh9 s ASP 102 Cb 0.07 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 3kh9 s ASP 102 CO 0.15 -0.68 1.74 -1.13 -0.17 0.00 0.00 175.17 175.09 3kh9 h ASN 103 N 7.48 0.49 -0.66 -0.34 -0.73 -1.98 0.12 115.58 119.97 3kh9 h ASN 103 Ca -0.19 -0.09 0.06 0.00 1.87 0.00 0.00 56.30 57.94 3kh9 h ASN 103 Cb 1.06 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.47 3kh9 h ASN 103 CO 0.98 0.44 0.37 0.00 -0.37 0.00 0.00 177.43 178.85 3kh9 h ALA 104 N 1.07 0.87 -0.44 1.57 0.00 -1.94 -0.02 119.26 120.37 3kh9 h ALA 104 Ca 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kh9 h ALA 104 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kh9 h ALA 104 CO -0.02 0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.32 3kh9 h ALA 105 N 1.34 0.59 -0.71 0.00 0.00 -1.84 -2.48 119.26 116.15 3kh9 h ALA 105 Ca 0.29 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3kh9 h ALA 105 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kh9 h ALA 105 CO -0.17 0.33 0.46 0.00 0.00 0.00 0.00 179.25 179.87 3kh9 h ALA 106 N 0.93 0.91 -0.28 0.00 0.00 -0.43 -1.81 119.26 118.59 3kh9 h ALA 106 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kh9 h ALA 106 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kh9 h ALA 106 CO 0.01 0.28 0.14 0.82 0.00 0.00 0.00 179.25 180.50 3kh9 h ILE 107 N 0.92 1.15 -0.62 0.00 2.04 -0.92 -1.82 117.51 118.26 3kh9 h ILE 107 Ca 0.27 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.85 3kh9 h ILE 107 Cb -0.06 0.90 -0.11 0.00 -0.74 0.00 0.00 36.82 36.82 3kh9 h ILE 107 CO -0.08 0.15 -0.02 0.11 0.00 0.00 0.00 178.15 178.31 3kh9 h LYS 108 N 0.32 0.09 -0.63 2.37 1.79 -1.27 -1.62 116.57 117.62 3kh9 h LYS 108 Ca 0.10 -0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.61 3kh9 h LYS 108 Cb 0.11 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 3kh9 h LYS 108 CO -0.01 0.06 0.35 -1.49 -1.08 0.00 0.00 179.45 177.28 3kh9 h TRP 109 N 0.10 0.65 0.00 -1.35 4.06 -0.97 0.42 115.95 118.85 3kh9 h TRP 109 Ca 0.32 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.29 3kh9 h TRP 109 Cb 0.52 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.48 3kh9 h TRP 109 CO -0.39 0.32 0.00 -0.07 -3.56 0.00 0.00 178.44 174.74 3kh9 h LEU 110 N 0.66 0.00 0.01 -4.49 3.38 -0.98 -2.31 115.31 111.58 3kh9 h LEU 110 Ca 0.28 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.87 3kh9 h LEU 110 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3kh9 h LEU 110 CO -0.17 0.00 -2.13 0.59 0.09 0.00 0.00 178.44 176.82 3kh9 n ASN 111 N -2.48 1.95 0.03 -0.43 3.02 -0.64 -4.33 115.26 112.38 3kh9 n ASN 111 Ca 0.02 0.28 -0.03 0.00 -0.03 0.00 0.00 54.58 54.82 3kh9 n ASN 111 Cb 0.28 -0.80 0.21 0.00 -0.61 0.00 0.00 39.78 38.85 3kh9 n ASN 111 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3kh9 h GLU 112 N -0.75 0.44 -6.08 3.52 3.07 -0.23 -3.45 114.58 111.11 3kh9 h GLU 112 Ca -0.56 -0.17 -0.56 0.00 -0.50 0.00 0.00 59.36 57.57 3kh9 h GLU 112 Cb 1.61 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.46 3kh9 h GLU 112 CO -0.27 0.68 -0.28 -0.51 -1.40 0.00 0.00 179.01 177.23 3kh9 s LEU 113 N -8.62 2.84 -0.67 1.33 1.43 -0.87 -5.06 118.68 109.05 3kh9 s LEU 113 Ca -0.07 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.70 3kh9 s LEU 113 Cb 0.14 -1.35 0.10 0.00 0.03 0.00 0.00 46.19 45.11 3kh9 s LEU 113 CO 0.79 -1.10 0.87 -1.38 0.23 0.00 0.00 176.35 175.76 3kh9 s HIS 114 N -2.72 2.90 -0.09 0.29 0.00 -1.26 -4.76 115.29 109.65 3kh9 s HIS 114 Ca 0.40 -0.88 -0.30 0.00 -3.00 0.00 0.00 55.06 51.28 3kh9 s HIS 114 Cb -0.03 -4.16 -0.08 0.00 -4.00 0.00 0.00 32.58 24.31 3kh9 s HIS 114 CO 0.25 -1.46 2.07 -1.71 -1.00 0.00 0.00 174.74 172.89 3kh9 n ASN 115 N 6.85 3.67 -0.29 7.38 2.85 -1.26 -4.84 115.26 129.62 3kh9 n ASN 115 Ca -0.02 0.64 0.12 0.00 -0.11 0.00 0.00 54.58 55.21 3kh9 n ASN 115 Cb 0.45 -1.51 0.25 0.00 1.24 0.00 0.00 39.78 40.21 3kh9 n ASN 115 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3kh9 n PRO 116 N 7.90 0.85 -3.33 1.20 -0.04 -1.26 -4.94 135.00 135.38 3kh9 n PRO 116 Ca 0.25 -0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 62.75 3kh9 n PRO 116 Cb 0.40 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 3kh9 n PRO 116 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kh9 s TYR 117 N -2.55 3.49 0.08 0.54 1.51 -1.26 -4.44 117.35 114.73 3kh9 s TYR 117 Ca 0.21 0.85 0.18 0.00 -1.01 0.00 0.00 57.07 57.30 3kh9 s TYR 117 Cb 0.19 -2.55 0.55 0.00 -0.11 0.00 0.00 41.96 40.04 3kh9 s TYR 117 CO 0.56 0.14 1.67 -0.07 -1.11 0.00 0.00 175.55 176.74 3kh9 h LEU 118 N 6.86 0.00 -7.66 -1.29 3.38 -1.18 -3.45 115.31 111.97 3kh9 h LEU 118 Ca -0.40 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.41 3kh9 h LEU 118 Cb 1.17 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.70 3kh9 h LEU 118 CO 0.75 0.40 -0.49 -0.76 0.09 0.00 0.00 178.44 178.43 3kh9 s LEU 119 N -6.88 1.43 -0.32 1.67 1.43 -1.26 -5.06 118.68 109.69 3kh9 s LEU 119 Ca 0.01 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3kh9 s LEU 119 Cb 0.10 0.67 0.10 0.00 0.03 0.00 0.00 46.19 47.09 3kh9 s LEU 119 CO 0.70 -0.24 0.07 -0.44 0.23 0.00 0.00 176.35 176.66 3kh9 s SER 120 N -0.76 4.43 -0.20 2.29 0.01 -1.26 -0.23 113.70 117.97 3kh9 s SER 120 Ca -0.09 -1.91 -0.24 0.00 1.31 0.00 0.00 55.95 55.02 3kh9 s SER 120 Cb -0.05 -1.29 -0.01 0.00 0.21 0.00 0.00 66.02 64.88 3kh9 s SER 120 CO 0.01 -0.39 0.81 -0.63 0.41 0.00 0.00 173.24 173.45 3kh9 s ILE 121 N 1.22 4.88 -0.48 1.44 1.01 0.11 -0.97 121.20 128.41 3kh9 s ILE 121 Ca 0.10 1.55 -0.25 0.00 0.00 0.00 0.00 60.65 62.05 3kh9 s ILE 121 Cb -0.18 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.21 3kh9 s ILE 121 CO -0.15 -0.01 0.91 -0.55 0.00 0.00 0.00 174.94 175.14 3kh9 s SER 122 N 1.24 6.45 -0.78 3.58 0.15 -0.08 -0.28 113.70 123.98 3kh9 s SER 122 Ca 0.36 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 57.00 3kh9 s SER 122 Cb -0.16 -2.44 0.28 0.00 -1.71 0.00 0.00 66.02 61.99 3kh9 s SER 122 CO 0.10 -1.08 1.02 -0.67 1.20 0.00 0.00 173.24 173.81 3kh9 n ASP 123 N 7.20 4.75 0.20 5.45 2.03 -0.26 -4.24 116.55 131.68 3kh9 n ASP 123 Ca 0.05 -3.47 0.07 0.00 0.52 0.00 0.00 54.79 51.95 3kh9 n ASP 123 Cb 0.48 -0.86 0.41 0.00 -0.72 0.00 0.00 41.12 40.44 3kh9 n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kh9 h ALA 124 N 4.44 1.08 -0.00 -1.67 0.00 -1.92 -1.49 119.26 119.70 3kh9 h ALA 124 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kh9 h ALA 124 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3kh9 h ALA 124 CO 1.00 0.40 -0.76 -0.25 0.00 0.00 0.00 179.25 179.63 3kh9 n ASP 125 N -3.59 1.15 0.00 0.00 8.00 -1.26 -4.17 116.55 116.69 3kh9 n ASP 125 Ca -0.01 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3kh9 n ASP 125 Cb 0.45 0.86 0.00 0.00 -0.02 0.00 0.00 41.12 42.41 3kh9 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kh9 n GLY 126 N 1.41 0.57 0.22 0.44 0.00 -0.90 -4.94 105.19 101.99 3kh9 n GLY 126 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3kh9 n GLY 126 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kh9 h THR 127 N 0.00 1.25 -0.07 2.61 1.35 -1.94 0.58 112.91 116.68 3kh9 h THR 127 Ca 0.00 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.66 3kh9 h THR 127 Cb 0.00 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3kh9 h THR 127 CO 0.00 0.35 -0.09 0.25 -0.25 0.00 0.00 175.52 175.79 3kh9 h LEU 128 N 0.22 0.20 -1.14 3.87 5.85 -1.92 -2.97 115.31 119.43 3kh9 h LEU 128 Ca 0.03 -0.50 0.16 0.00 0.84 0.00 0.00 57.88 58.41 3kh9 h LEU 128 Cb 0.60 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.49 3kh9 h LEU 128 CO 0.04 0.66 0.61 1.23 -0.34 0.00 0.00 178.44 180.64 3kh9 h GLY 129 N -0.25 1.48 0.59 3.75 0.00 -1.81 -1.88 103.07 104.95 3kh9 h GLY 129 Ca 0.01 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3kh9 h GLY 129 CO 0.02 0.05 -0.02 -2.00 0.00 0.00 0.00 176.54 174.59 3kh9 h LEU 130 N 0.77 -0.13 -1.46 3.11 5.85 0.21 -0.07 115.31 123.60 3kh9 h LEU 130 Ca 0.51 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.26 3kh9 h LEU 130 Cb 0.77 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3kh9 h LEU 130 CO -0.28 -0.04 -0.15 0.44 -0.34 0.00 0.00 178.44 178.08 3kh9 h ASP 131 N 0.05 0.00 1.37 1.25 3.32 -1.23 -2.99 116.42 118.19 3kh9 h ASP 131 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kh9 h ASP 131 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kh9 h ASP 131 CO -0.21 0.15 -0.41 -0.07 -1.72 0.00 0.00 179.24 176.98 3kh9 h LEU 132 N 0.00 0.00 0.00 1.55 3.38 -0.66 -3.48 115.31 116.10 3kh9 h LEU 132 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3kh9 h LEU 132 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kh9 h LEU 132 CO 0.02 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3kh9 n GLY 133 N 1.22 0.61 3.73 0.83 0.00 -0.59 -4.82 105.19 106.17 3kh9 n GLY 133 Ca 0.03 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3kh9 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh9 s VAL 134 N -2.00 3.90 -0.01 1.61 1.01 -0.14 -4.26 120.40 120.50 3kh9 s VAL 134 Ca 0.00 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.58 3kh9 s VAL 134 Cb 0.00 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3kh9 s VAL 134 CO 0.00 0.24 0.88 0.00 0.00 0.00 0.00 175.10 176.22 3kh9 n TYR 135 N 2.66 0.00 -2.15 5.22 0.18 -1.26 -4.73 117.16 117.08 3kh9 n TYR 135 Ca 0.04 -0.14 0.00 0.00 1.88 0.00 0.00 57.90 59.68 3kh9 n TYR 135 Cb 0.46 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.37 3kh9 n TYR 135 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kh9 n GLY 136 N -0.19 -0.56 3.40 -7.48 0.00 -1.26 -5.17 105.19 93.93 3kh9 n GLY 136 Ca 0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 3kh9 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kh9 s ALA 137 N -1.00 -1.39 0.57 4.61 0.00 -1.26 -4.45 121.76 118.83 3kh9 s ALA 137 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 3kh9 s ALA 137 Cb 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 3kh9 s ALA 137 CO 0.00 -0.62 1.02 -1.25 0.00 0.00 0.00 175.76 174.91 3kh9 s PRO 138 N -3.10 3.63 0.01 0.00 0.04 -1.26 -4.78 135.00 129.54 3kh9 s PRO 138 Ca -0.02 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.05 3kh9 s PRO 138 Cb -0.00 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3kh9 s PRO 138 CO -0.07 -0.54 -0.05 -1.21 0.04 0.00 0.00 177.00 175.17 3kh9 s GLU 139 N -4.27 0.39 -0.09 4.56 2.02 -1.14 -0.77 118.70 119.40 3kh9 s GLU 139 Ca 0.60 -0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.32 3kh9 s GLU 139 Cb -0.12 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 33.80 3kh9 s GLU 139 CO 0.37 0.08 -0.10 0.99 0.02 0.00 0.00 175.26 176.63 3kh9 s THR 140 N -0.37 1.06 -0.19 3.63 2.01 0.12 -0.22 115.64 121.68 3kh9 s THR 140 Ca -0.01 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 3kh9 s THR 140 Cb -0.03 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3kh9 s THR 140 CO -0.00 0.35 0.08 -0.31 -0.69 0.00 0.00 174.62 174.05 3kh9 s TYR 141 N 1.16 3.28 -0.19 4.92 1.51 0.34 -0.06 117.35 128.32 3kh9 s TYR 141 Ca -0.05 0.11 -0.19 0.00 -1.01 0.00 0.00 57.07 55.94 3kh9 s TYR 141 Cb -0.14 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3kh9 s TYR 141 CO -0.02 0.17 0.52 -1.17 -1.11 0.00 0.00 175.55 173.94 3kh9 s LEU 142 N 0.41 4.17 0.19 -1.29 2.96 0.10 -0.03 118.68 125.19 3kh9 s LEU 142 Ca 0.04 0.71 0.10 0.00 -0.22 0.00 0.00 54.13 54.77 3kh9 s LEU 142 Cb -0.12 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 3kh9 s LEU 142 CO -0.00 -0.16 -0.15 0.27 -1.32 0.00 0.00 176.35 174.99 3kh9 s ILE 143 N 1.50 2.85 0.78 6.68 -4.36 -0.20 -0.30 121.20 128.16 3kh9 s ILE 143 Ca 0.25 -1.85 -0.03 0.00 -0.26 0.00 0.00 60.65 58.76 3kh9 s ILE 143 Cb -0.15 -2.41 0.16 0.00 1.25 0.00 0.00 42.46 41.30 3kh9 s ILE 143 CO 0.10 -0.14 1.07 1.51 0.24 0.00 0.00 174.94 177.72 3kh9 s ASP 144 N -2.85 3.99 0.32 4.36 1.47 -0.34 -1.88 116.67 121.74 3kh9 s ASP 144 Ca 0.24 -0.38 0.25 0.00 1.18 0.00 0.00 52.55 53.84 3kh9 s ASP 144 Cb -0.08 0.14 1.13 0.00 -0.34 0.00 0.00 42.92 43.77 3kh9 s ASP 144 CO 0.13 -2.12 1.75 0.07 0.68 0.00 0.00 175.17 175.68 3kh9 h LYS 145 N -0.78 0.00 -0.01 2.11 -0.00 -1.85 0.16 116.57 116.21 3kh9 h LYS 145 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 3kh9 h LYS 145 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3kh9 h LYS 145 CO 0.37 0.00 -0.07 1.04 -0.00 0.00 0.00 179.45 180.79 3kh9 n GLN 146 N -2.35 1.04 -0.91 0.07 3.00 -1.26 -0.30 117.38 116.68 3kh9 n GLN 146 Ca 0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 3kh9 n GLN 146 Cb 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.92 3kh9 n GLN 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kh9 n GLY 147 N 1.20 0.53 3.73 1.08 0.00 0.05 -4.89 105.19 106.88 3kh9 n GLY 147 Ca 0.17 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3kh9 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kh9 s ILE 148 N -2.00 4.78 0.11 -0.61 1.01 -1.26 -0.63 121.20 122.60 3kh9 s ILE 148 Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.08 3kh9 s ILE 148 Cb 0.00 -4.17 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 3kh9 s ILE 148 CO 0.00 0.30 1.19 -0.63 0.00 0.00 0.00 174.94 175.81 3kh9 s ILE 149 N 0.29 3.86 0.00 2.92 1.01 0.16 -1.20 121.20 128.23 3kh9 s ILE 149 Ca 0.42 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.49 3kh9 s ILE 149 Cb -0.20 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3kh9 s ILE 149 CO 0.24 0.16 0.00 0.54 0.00 0.00 0.00 174.94 175.88 3kh9 n ARG 150 N 3.35 0.84 -3.54 2.79 5.12 0.59 -0.61 116.66 125.20 3kh9 n ARG 150 Ca 0.07 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.88 3kh9 n ARG 150 Cb 0.46 -0.94 -0.04 0.00 -1.16 0.00 0.00 32.46 30.78 3kh9 n ARG 150 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3kh9 s HIS 151 N -1.86 -0.42 -0.05 -1.55 2.46 -1.16 -4.87 115.29 107.84 3kh9 s HIS 151 Ca 0.00 0.60 0.01 0.00 0.47 0.00 0.00 55.06 56.14 3kh9 s HIS 151 Cb 0.00 0.47 0.02 0.00 -0.13 0.00 0.00 32.58 32.94 3kh9 s HIS 151 CO 0.00 -0.46 -0.06 0.21 -2.47 0.00 0.00 174.74 171.97 3kh9 s LYS 152 N -1.74 0.95 -0.18 2.88 2.20 -1.26 -0.72 119.74 121.87 3kh9 s LYS 152 Ca -0.01 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.38 3kh9 s LYS 152 Cb -0.01 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 3kh9 s LYS 152 CO -0.00 -0.06 0.02 0.42 -0.36 0.00 0.00 175.35 175.37 3kh9 s ILE 153 N 0.84 4.29 -0.22 5.43 -1.09 0.91 -4.82 121.20 126.54 3kh9 s ILE 153 Ca -0.12 -0.21 -0.13 0.00 -2.23 0.00 0.00 60.65 57.96 3kh9 s ILE 153 Cb -0.15 -2.92 -0.05 0.00 -1.58 0.00 0.00 42.46 37.77 3kh9 s ILE 153 CO 0.01 0.45 0.25 -0.69 -1.23 0.00 0.00 174.94 173.73 3kh9 s VAL 154 N 0.60 5.30 0.00 2.92 1.01 -1.26 -0.70 120.40 128.27 3kh9 s VAL 154 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3kh9 s VAL 154 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kh9 s VAL 154 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3kh9 n GLY 155 N 4.04 -0.40 3.67 4.51 0.00 0.05 -4.98 105.19 112.09 3kh9 n GLY 155 Ca -0.12 -1.81 -0.46 0.00 0.00 0.00 0.00 46.02 43.62 3kh9 n GLY 155 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kh9 n VAL 156 N -0.45 0.13 -2.97 1.61 0.31 -1.26 -4.64 118.33 111.06 3kh9 n VAL 156 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 3kh9 n VAL 156 Cb 0.00 -1.63 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 3kh9 n VAL 156 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kh9 s VAL 157 N 1.62 4.74 0.07 2.52 1.01 -1.26 -4.95 120.40 124.15 3kh9 s VAL 157 Ca 0.82 0.80 0.01 0.00 0.00 0.00 0.00 61.98 63.60 3kh9 s VAL 157 Cb -0.67 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.51 3kh9 s VAL 157 CO 0.41 -0.45 0.07 -0.90 0.00 0.00 0.00 175.10 174.22 3kh9 n ASP 158 N 6.41 0.91 -0.20 3.32 5.68 -1.26 -4.83 116.55 126.58 3kh9 n ASP 158 Ca 0.02 -1.23 -0.06 0.00 -0.50 0.00 0.00 54.79 53.03 3kh9 n ASP 158 Cb 0.48 -0.02 0.04 0.00 -1.14 0.00 0.00 41.12 40.48 3kh9 n ASP 158 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3kh9 h GLN 159 N 0.00 0.73 0.25 0.11 4.20 -1.97 0.03 115.11 118.47 3kh9 h GLN 159 Ca -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3kh9 h GLN 159 Cb 0.17 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kh9 h GLN 159 CO 0.06 0.49 -0.15 -0.22 -0.67 0.00 0.00 178.83 178.34 3kh9 h LYS 160 N 0.76 -0.37 -0.39 1.46 3.64 -1.98 0.17 116.57 119.86 3kh9 h LYS 160 Ca 0.22 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.68 3kh9 h LYS 160 Cb -0.05 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3kh9 h LYS 160 CO -0.07 -0.25 0.08 0.28 -2.27 0.00 0.00 179.45 177.23 3kh9 h VAL 161 N -0.38 0.81 0.21 2.00 2.07 -1.89 -1.32 116.25 117.75 3kh9 h VAL 161 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3kh9 h VAL 161 Cb 0.31 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3kh9 h VAL 161 CO 0.03 0.04 -0.11 -0.25 0.02 0.00 0.00 177.57 177.30 3kh9 h TRP 162 N 0.21 -0.29 -0.56 1.57 2.91 -0.85 0.49 115.95 119.43 3kh9 h TRP 162 Ca 0.19 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3kh9 h TRP 162 Cb 0.21 0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.92 3kh9 h TRP 162 CO -0.19 -0.18 0.31 -0.09 -1.03 0.00 0.00 178.44 177.26 3kh9 h ARG 163 N -0.30 0.59 0.05 2.65 2.43 -0.45 0.99 114.38 120.34 3kh9 h ARG 163 Ca -0.03 -0.04 -0.31 0.00 -0.81 0.00 0.00 59.98 58.80 3kh9 h ARG 163 Cb 0.24 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3kh9 h ARG 163 CO 0.04 0.39 -1.70 0.93 -1.51 0.00 0.00 179.97 178.11 3kh9 h GLU 164 N 0.61 0.10 0.00 0.20 5.08 -1.15 -3.38 114.58 116.03 3kh9 h GLU 164 Ca 0.24 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kh9 h GLU 164 Cb 0.09 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kh9 h GLU 164 CO -0.13 0.79 -1.25 1.04 -1.00 0.00 0.00 179.01 178.45 3kh9 n GLN 165 N -3.23 0.64 0.00 2.33 6.02 0.17 -4.75 117.38 118.55 3kh9 n GLN 165 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 3kh9 n GLN 165 Cb 1.04 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 31.15 3kh9 n GLN 165 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kh9 n LEU 166 N -1.71 1.46 -0.11 1.08 4.77 -0.92 -4.86 117.00 116.71 3kh9 n LEU 166 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 3kh9 n LEU 166 Cb 0.19 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3kh9 n LEU 166 CO 0.16 0.20 0.91 0.00 -1.33 0.00 0.00 177.39 177.33 3kh9 h ALA 167 N 0.00 0.40 -0.71 -1.18 0.00 0.83 0.10 119.26 118.70 3kh9 h ALA 167 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3kh9 h ALA 167 Cb 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3kh9 h ALA 167 CO 0.00 -0.31 0.42 -1.35 0.00 0.00 0.00 179.25 178.01 3kh9 h PRO 168 N 0.22 0.97 -0.23 0.00 0.11 -1.80 -0.81 132.00 130.45 3kh9 h PRO 168 Ca 0.17 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 3kh9 h PRO 168 Cb 0.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3kh9 h PRO 168 CO -0.21 0.69 -0.51 -0.07 -0.21 0.00 0.00 178.00 177.69 3kh9 h LEU 169 N 0.97 0.85 -0.60 2.35 3.38 -1.74 -2.91 115.31 117.61 3kh9 h LEU 169 Ca 0.25 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3kh9 h LEU 169 Cb -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3kh9 h LEU 169 CO -0.05 1.25 0.37 0.22 0.09 0.00 0.00 178.44 180.32 3kh9 h TYR 170 N 0.48 0.69 -0.87 1.13 3.20 -0.72 -2.07 116.97 118.81 3kh9 h TYR 170 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3kh9 h TYR 170 Cb 1.12 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 3kh9 h TYR 170 CO 0.08 0.40 0.56 0.37 -1.64 0.00 0.00 178.16 177.93 3kh9 h GLN 171 N 0.73 1.04 -0.97 1.82 5.75 -1.16 -2.16 115.11 120.16 3kh9 h GLN 171 Ca 0.24 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3kh9 h GLN 171 Cb 0.01 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 3kh9 h GLN 171 CO -0.10 0.69 0.64 1.96 -2.65 0.00 0.00 178.83 179.37 3kh9 h GLN 172 N 1.07 1.23 0.00 1.69 4.20 -1.23 -2.79 115.11 119.29 3kh9 h GLN 172 Ca 0.35 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3kh9 h GLN 172 Cb 0.03 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3kh9 h GLN 172 CO -0.13 0.81 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.43 3kh9 h LEU 173 N 1.27 0.00 -0.64 1.46 3.38 -0.76 -2.71 115.31 117.31 3kh9 h LEU 173 Ca 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 3kh9 h LEU 173 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kh9 h LEU 173 CO -0.10 0.35 -0.58 -0.07 0.09 0.00 0.00 178.44 178.13 3kh9 h LEU 174 N 0.00 0.35 -0.56 1.67 3.38 -1.20 -3.46 115.31 115.50 3kh9 h LEU 174 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3kh9 h LEU 174 Cb 0.81 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3kh9 h LEU 174 CO 0.05 0.86 0.00 0.47 0.09 0.00 0.00 178.44 179.90