#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kh7 s PRO 20 N 0.00 3.45 -0.06 5.55 0.02 -1.26 -5.04 135.00 137.66 3kh7 s PRO 20 Ca 0.00 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.11 3kh7 s PRO 20 Cb 0.00 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 32.17 3kh7 s PRO 20 CO 0.00 -0.89 -0.07 0.50 -0.33 0.00 0.00 177.00 176.21 3kh7 s ARG 21 N -2.75 1.19 0.93 5.54 3.52 -1.26 -5.16 118.95 120.96 3kh7 s ARG 21 Ca 0.67 -0.21 -0.14 0.00 -0.13 0.00 0.00 55.73 55.92 3kh7 s ARG 21 Cb -0.36 -1.14 0.19 0.00 -1.56 0.00 0.00 34.95 32.07 3kh7 s ARG 21 CO 0.44 -0.09 1.28 0.20 -0.81 0.00 0.00 175.30 176.32 3kh7 s GLY 22 N 1.03 1.77 0.25 8.12 0.00 -1.26 -5.01 107.32 112.22 3kh7 s GLY 22 Ca -0.09 -1.25 -0.31 0.00 0.00 0.00 0.00 44.72 43.08 3kh7 s GLY 22 CO -0.00 -0.51 1.66 -0.45 0.00 0.00 0.00 173.10 173.80 3kh7 s SER 23 N -4.86 6.38 -0.07 1.64 0.15 -1.26 -5.01 113.70 110.66 3kh7 s SER 23 Ca 0.73 2.90 -0.00 0.00 0.70 0.00 0.00 55.95 60.28 3kh7 s SER 23 Cb -0.04 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.68 3kh7 s SER 23 CO 0.52 -0.95 -0.04 -2.28 1.20 0.00 0.00 173.24 171.70 3kh7 s HIS 24 N 0.63 0.94 -0.12 3.44 5.04 -1.26 -5.14 115.29 118.82 3kh7 s HIS 24 Ca 0.69 -0.34 -0.01 0.00 -1.54 0.00 0.00 55.06 53.86 3kh7 s HIS 24 Cb -0.49 -0.89 -0.03 0.00 0.04 0.00 0.00 32.58 31.21 3kh7 s HIS 24 CO 0.39 -0.34 -0.07 -1.64 -2.34 0.00 0.00 174.74 170.75 3kh7 s MET 25 N 1.57 3.29 0.53 2.88 -1.94 -1.26 -5.08 119.30 119.28 3kh7 s MET 25 Ca -0.00 -0.56 -0.22 0.00 -1.71 0.00 0.00 55.69 53.20 3kh7 s MET 25 Cb -0.13 -2.75 -0.05 0.00 2.01 0.00 0.00 34.83 33.91 3kh7 s MET 25 CO -0.04 0.39 1.32 -0.51 -0.01 0.00 0.00 175.02 176.17 3kh7 s LEU 26 N -0.06 3.89 0.54 -0.03 1.43 -1.26 -4.98 118.68 118.21 3kh7 s LEU 26 Ca 0.00 2.68 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 3kh7 s LEU 26 Cb -0.13 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 3kh7 s LEU 26 CO 0.03 -1.44 1.04 1.51 0.23 0.00 0.00 176.35 177.73 3kh7 s ASP 27 N -1.01 6.11 0.43 2.29 -4.77 -1.26 -4.91 116.67 113.54 3kh7 s ASP 27 Ca 0.70 1.85 0.23 0.00 -3.30 0.00 0.00 52.55 52.03 3kh7 s ASP 27 Cb -0.38 -2.54 1.21 0.00 -1.09 0.00 0.00 42.92 40.11 3kh7 s ASP 27 CO 0.46 -0.94 1.77 -0.65 0.70 0.00 0.00 175.17 176.50 3kh7 h PRO 28 N 1.00 0.29 0.00 2.11 0.11 -1.99 0.39 132.00 133.91 3kh7 h PRO 28 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kh7 h PRO 28 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kh7 h PRO 28 CO 0.58 0.19 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 3kh7 h SER 29 N 0.29 0.00 0.59 -2.05 4.64 -1.96 -2.80 113.55 112.27 3kh7 h SER 29 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3kh7 h SER 29 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 3kh7 h SER 29 CO -0.25 0.00 -0.46 -0.62 -0.87 0.00 0.00 176.83 174.63 3kh7 n GLU 30 N -2.76 0.03 -2.16 4.77 1.02 0.13 -4.00 120.64 117.66 3kh7 n GLU 30 Ca -0.01 0.01 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 3kh7 n GLU 30 Cb 0.15 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3kh7 n GLU 30 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kh7 s LEU 31 N -3.12 4.38 0.39 -4.62 1.43 -1.06 -4.92 118.68 111.16 3kh7 s LEU 31 Ca 0.11 2.61 0.18 0.00 -1.03 0.00 0.00 54.13 56.00 3kh7 s LEU 31 Cb 0.17 -3.73 1.11 0.00 0.03 0.00 0.00 46.19 43.77 3kh7 s LEU 31 CO 0.68 -0.57 1.75 -0.65 0.23 0.00 0.00 176.35 177.79 3kh7 h PRO 32 N 3.21 0.37 0.00 1.29 0.11 -1.90 -1.46 132.00 133.62 3kh7 h PRO 32 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kh7 h PRO 32 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kh7 h PRO 32 CO 0.65 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 3kh7 n SER 33 N -4.67 0.41 -0.13 -2.05 3.41 -1.26 -4.23 113.62 105.09 3kh7 n SER 33 Ca 0.27 0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 59.41 3kh7 n SER 33 Cb 0.92 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 64.25 3kh7 n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kh7 h ALA 34 N 2.55 0.48 -0.56 7.33 0.00 -1.51 -2.75 119.26 124.81 3kh7 h ALA 34 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kh7 h ALA 34 Cb 0.47 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kh7 h ALA 34 CO 0.00 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.22 3kh7 n LEU 35 N -5.09 4.11 -4.72 0.00 4.77 -1.26 -4.97 117.00 109.84 3kh7 n LEU 35 Ca 0.04 -2.32 -0.42 0.00 -0.03 0.00 0.00 56.01 53.28 3kh7 n LEU 35 Cb 0.20 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 3kh7 n LEU 35 CO 0.23 0.82 1.32 -0.63 -1.33 0.00 0.00 177.39 177.79 3kh7 s ILE 36 N -1.59 2.22 0.00 -0.08 -1.09 -1.04 -1.37 121.20 118.25 3kh7 s ILE 36 Ca 0.44 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 3kh7 s ILE 36 Cb 0.27 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.05 3kh7 s ILE 36 CO 0.23 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.56 3kh7 n GLY 37 N 3.79 0.63 3.79 6.18 0.00 0.48 -5.01 105.19 115.04 3kh7 n GLY 37 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3kh7 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kh7 s LYS 38 N -0.28 3.00 0.45 1.61 -0.14 -0.47 -4.87 119.74 119.04 3kh7 s LYS 38 Ca 0.00 -0.59 -0.25 0.00 -1.36 0.00 0.00 55.97 53.77 3kh7 s LYS 38 Cb 0.00 -2.80 -0.08 0.00 -1.68 0.00 0.00 37.83 33.27 3kh7 s LYS 38 CO 0.00 0.60 1.36 -1.25 -0.76 0.00 0.00 175.35 175.30 3kh7 s PRO 39 N -2.16 3.71 0.13 -1.68 0.04 -1.26 -0.92 135.00 132.85 3kh7 s PRO 39 Ca 0.27 2.27 -0.35 0.00 0.04 0.00 0.00 61.00 63.24 3kh7 s PRO 39 Cb -0.12 -2.62 -0.16 0.00 0.04 0.00 0.00 34.50 31.64 3kh7 s PRO 39 CO 0.20 -0.75 1.37 0.34 0.04 0.00 0.00 177.00 178.20 3kh7 n PHE 40 N -0.22 1.70 -1.65 0.56 7.35 0.29 -4.79 117.46 120.69 3kh7 n PHE 40 Ca 0.05 0.54 -0.42 0.00 -0.76 0.00 0.00 57.45 56.87 3kh7 n PHE 40 Cb 0.43 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.88 3kh7 n PHE 40 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3kh7 n PRO 41 N 2.56 1.69 -2.11 -7.13 -0.02 -1.26 -4.93 135.00 123.79 3kh7 n PRO 41 Ca 0.17 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3kh7 n PRO 41 Cb 0.23 -2.16 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3kh7 n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kh7 s ALA 42 N -1.18 3.29 0.15 3.55 0.00 -1.26 -4.71 121.76 121.60 3kh7 s ALA 42 Ca 0.60 1.19 -0.15 0.00 0.00 0.00 0.00 51.96 53.60 3kh7 s ALA 42 Cb -0.57 -3.47 0.02 0.00 0.00 0.00 0.00 23.12 19.11 3kh7 s ALA 42 CO 0.59 -0.73 0.41 -0.59 0.00 0.00 0.00 175.76 175.43 3kh7 s PHE 43 N -1.26 -0.07 -0.27 0.00 -0.71 -1.26 -4.97 117.98 109.44 3kh7 s PHE 43 Ca 0.55 -0.27 -0.03 0.00 -1.04 0.00 0.00 56.93 56.14 3kh7 s PHE 43 Cb -0.37 0.24 0.11 0.00 -1.21 0.00 0.00 43.02 41.78 3kh7 s PHE 43 CO 0.48 -0.76 0.19 0.34 -1.34 0.00 0.00 175.22 174.13 3kh7 s ASP 44 N -2.85 2.55 0.04 1.98 -1.08 -1.26 -3.61 116.67 112.45 3kh7 s ASP 44 Ca 0.07 -0.92 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 3kh7 s ASP 44 Cb 0.01 0.03 -0.03 0.00 -1.46 0.00 0.00 42.92 41.48 3kh7 s ASP 44 CO -0.07 -0.40 -0.05 -0.76 0.52 0.00 0.00 175.17 174.40 3kh7 s LEU 45 N 2.22 2.32 0.58 -1.34 1.43 -0.36 -4.96 118.68 118.57 3kh7 s LEU 45 Ca 0.08 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 3kh7 s LEU 45 Cb -0.15 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 3kh7 s LEU 45 CO -0.30 -0.32 1.09 -2.16 0.23 0.00 0.00 176.35 174.89 3kh7 s PRO 46 N -2.17 3.27 0.72 1.29 0.04 -1.26 -0.10 135.00 136.79 3kh7 s PRO 46 Ca -0.07 1.41 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 3kh7 s PRO 46 Cb -0.05 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.50 3kh7 s PRO 46 CO -0.02 -0.88 1.08 -1.54 0.04 0.00 0.00 177.00 175.68 3kh7 s SER 47 N -2.27 4.94 0.10 6.66 1.04 0.37 -0.82 113.70 123.72 3kh7 s SER 47 Ca 0.68 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.72 3kh7 s SER 47 Cb -0.20 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.35 3kh7 s SER 47 CO 0.32 -1.74 1.52 0.58 0.98 0.00 0.00 173.24 174.90 3kh7 h VAL 48 N -0.78 1.27 0.00 5.02 2.07 -1.40 -3.25 116.25 119.17 3kh7 h VAL 48 Ca -0.44 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3kh7 h VAL 48 Cb 1.22 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3kh7 h VAL 48 CO 0.54 0.34 -0.09 1.56 0.02 0.00 0.00 177.57 179.93 3kh7 h GLN 49 N 0.38 0.00 -2.02 1.57 1.08 -1.94 -3.43 115.11 110.75 3kh7 h GLN 49 Ca 0.09 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.07 3kh7 h GLN 49 Cb 0.50 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.62 3kh7 h GLN 49 CO 0.02 0.09 -0.54 0.34 -0.95 0.00 0.00 178.83 177.79 3kh7 s ASP 50 N -6.13 0.71 0.21 1.46 -1.08 -1.23 -5.02 116.67 105.60 3kh7 s ASP 50 Ca 0.05 -0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.16 3kh7 s ASP 50 Cb 0.07 0.88 0.89 0.00 -1.46 0.00 0.00 42.92 43.30 3kh7 s ASP 50 CO 0.65 -0.33 1.61 -0.81 0.52 0.00 0.00 175.17 176.81 3kh7 n PRO 51 N 5.35 0.14 0.00 4.34 -0.04 -1.26 -1.45 135.00 142.07 3kh7 n PRO 51 Ca -0.03 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 3kh7 n PRO 51 Cb 0.49 -1.80 0.32 0.00 -0.04 0.00 0.00 33.50 32.48 3kh7 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kh7 n ALA 52 N -1.71 3.32 -2.55 0.55 0.00 -1.26 -4.73 120.51 114.13 3kh7 n ALA 52 Ca 0.01 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3kh7 n ALA 52 Cb 0.16 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 3kh7 n ALA 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kh7 s ARG 53 N -2.90 3.57 0.03 0.00 3.52 -0.53 -5.04 118.95 117.59 3kh7 s ARG 53 Ca 0.14 -0.38 -0.09 0.00 -0.13 0.00 0.00 55.73 55.27 3kh7 s ARG 53 Cb 0.18 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 3kh7 s ARG 53 CO 0.65 -0.54 0.34 1.03 -0.81 0.00 0.00 175.30 175.96 3kh7 s ARG 54 N 2.07 3.70 0.11 5.12 1.81 -1.26 -0.48 118.95 130.03 3kh7 s ARG 54 Ca 0.13 0.11 0.10 0.00 -1.72 0.00 0.00 55.73 54.35 3kh7 s ARG 54 Cb -0.16 -3.08 -0.04 0.00 -0.45 0.00 0.00 34.95 31.22 3kh7 s ARG 54 CO 0.12 0.63 -0.26 -0.51 -0.68 0.00 0.00 175.30 174.60 3kh7 s LEU 55 N -1.65 2.29 0.38 2.53 1.43 0.85 -4.89 118.68 119.62 3kh7 s LEU 55 Ca 0.28 -0.72 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3kh7 s LEU 55 Cb -0.14 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.86 3kh7 s LEU 55 CO 0.15 0.18 0.15 0.42 0.23 0.00 0.00 176.35 177.48 3kh7 s THR 56 N -1.03 0.51 0.48 5.49 -4.23 -1.26 -1.22 115.64 114.38 3kh7 s THR 56 Ca 0.13 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.03 3kh7 s THR 56 Cb -0.10 -2.42 0.41 0.00 1.34 0.00 0.00 72.50 71.74 3kh7 s THR 56 CO 0.05 0.00 2.24 1.05 -0.54 0.00 0.00 174.62 177.42 3kh7 h GLU 57 N 1.92 0.00 -0.67 3.99 9.09 -1.84 -1.51 114.58 125.56 3kh7 h GLU 57 Ca -0.34 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.10 3kh7 h GLU 57 Cb 1.26 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.33 3kh7 h GLU 57 CO 0.54 0.01 0.44 0.00 0.05 0.00 0.00 179.01 180.06 3kh7 h ALA 58 N 1.99 1.60 0.00 1.06 0.00 -1.96 -2.28 119.26 119.67 3kh7 h ALA 58 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kh7 h ALA 58 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kh7 h ALA 58 CO 0.00 0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 3kh7 n ASP 59 N -4.45 0.33 -0.22 0.00 8.00 -0.57 -2.37 116.55 117.26 3kh7 n ASP 59 Ca 0.08 0.59 0.13 0.00 0.71 0.00 0.00 54.79 56.30 3kh7 n ASP 59 Cb 0.11 -0.65 0.42 0.00 -0.02 0.00 0.00 41.12 40.97 3kh7 n ASP 59 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kh7 n LEU 60 N -1.87 0.93 -4.89 0.64 4.77 -0.86 -4.95 117.00 110.77 3kh7 n LEU 60 Ca 0.02 -0.22 -0.31 0.00 -0.03 0.00 0.00 56.01 55.48 3kh7 n LEU 60 Cb 0.18 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 3kh7 n LEU 60 CO 0.15 0.17 0.10 -0.54 -1.33 0.00 0.00 177.39 175.94 3kh7 s LYS 61 N -2.50 3.66 0.00 3.23 1.02 -1.00 -4.64 119.74 119.51 3kh7 s LYS 61 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.23 3kh7 s LYS 61 Cb 0.19 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3kh7 s LYS 61 CO 0.51 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 3kh7 n GLY 62 N -0.17 4.24 3.00 -3.33 0.00 0.40 -5.04 105.19 104.30 3kh7 n GLY 62 Ca -0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 3kh7 n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kh7 s LYS 63 N 0.00 0.33 0.44 1.61 1.02 -1.26 -4.80 119.74 117.08 3kh7 s LYS 63 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 3kh7 s LYS 63 Cb 0.00 0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.35 3kh7 s LYS 63 CO 0.00 -0.06 1.42 -2.14 -0.92 0.00 0.00 175.35 173.65 3kh7 s PRO 64 N -1.38 3.76 0.18 -1.68 0.02 -1.26 -4.16 135.00 130.47 3kh7 s PRO 64 Ca -0.15 2.42 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 3kh7 s PRO 64 Cb -0.09 -2.70 0.03 0.00 0.02 0.00 0.00 34.50 31.76 3kh7 s PRO 64 CO -0.00 -0.76 0.51 0.00 -0.33 0.00 0.00 177.00 176.42 3kh7 s ALA 65 N -1.20 -1.02 -0.04 -1.55 0.00 -0.43 -4.47 121.76 113.06 3kh7 s ALA 65 Ca 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 3kh7 s ALA 65 Cb -0.44 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 3kh7 s ALA 65 CO 0.56 -0.77 0.12 -0.51 0.00 0.00 0.00 175.76 175.16 3kh7 s LEU 66 N -2.85 4.14 -0.23 0.00 1.43 -0.00 -1.11 118.68 120.06 3kh7 s LEU 66 Ca 0.07 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3kh7 s LEU 66 Cb -0.01 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.96 3kh7 s LEU 66 CO -0.06 0.31 -0.12 -0.69 0.23 0.00 0.00 176.35 176.02 3kh7 s VAL 67 N -1.17 2.31 -0.18 -1.59 1.01 0.74 -0.49 120.40 121.04 3kh7 s VAL 67 Ca 0.21 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3kh7 s VAL 67 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3kh7 s VAL 67 CO 0.12 0.19 -0.07 0.21 0.00 0.00 0.00 175.10 175.55 3kh7 s ASN 68 N 1.21 4.29 -0.21 3.32 3.84 0.16 -0.40 114.94 127.15 3kh7 s ASN 68 Ca -0.03 -0.33 -0.14 0.00 0.21 0.00 0.00 52.86 52.58 3kh7 s ASN 68 Cb -0.17 -1.70 -0.04 0.00 -0.55 0.00 0.00 41.25 38.78 3kh7 s ASN 68 CO -0.07 0.07 0.32 -0.69 -2.79 0.00 0.00 177.10 173.94 3kh7 s VAL 69 N 0.93 5.25 0.19 -5.21 1.01 0.24 -0.14 120.40 122.66 3kh7 s VAL 69 Ca -0.01 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.43 3kh7 s VAL 69 Cb -0.15 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3kh7 s VAL 69 CO 0.00 0.28 0.28 -1.66 0.00 0.00 0.00 175.10 174.00 3kh7 s TRP 70 N 1.23 0.57 -0.05 5.22 1.48 -0.15 -3.00 118.94 124.25 3kh7 s TRP 70 Ca 0.15 -0.91 -0.31 0.00 -1.06 0.00 0.00 56.10 53.97 3kh7 s TRP 70 Cb -0.14 -0.14 0.07 0.00 -1.16 0.00 0.00 33.47 32.10 3kh7 s TRP 70 CO 0.07 -0.75 0.67 0.20 -4.06 0.00 0.00 176.95 173.08 3kh7 s GLY 71 N -3.02 -0.57 0.39 3.67 0.00 -1.26 -0.71 107.32 105.81 3kh7 s GLY 71 Ca 0.23 1.29 0.28 0.00 0.00 0.00 0.00 44.72 46.52 3kh7 s GLY 71 CO 0.04 0.93 1.85 -0.91 0.00 0.00 0.00 173.10 175.01 3kh7 h THR 72 N 3.00 0.00 0.00 0.90 1.35 -1.93 -2.10 112.91 114.12 3kh7 h THR 72 Ca -0.27 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3kh7 h THR 72 Cb 1.14 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3kh7 h THR 72 CO 0.39 0.00 0.00 -2.67 -0.25 0.00 0.00 175.52 172.99 3kh7 n TRP 73 N -2.55 0.00 -3.65 4.73 4.27 -1.26 -4.74 117.44 114.24 3kh7 n TRP 73 Ca 0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 3kh7 n TRP 73 Cb 0.18 -0.36 -0.10 0.00 -1.36 0.00 0.00 31.31 29.68 3kh7 n TRP 73 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3kh7 h PRO 75 N 8.30 0.61 0.00 0.00 0.11 -1.86 -1.33 132.00 137.82 3kh7 h PRO 75 Ca -0.19 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 3kh7 h PRO 75 Cb 1.07 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kh7 h PRO 75 CO 0.77 0.40 -0.08 0.77 -0.21 0.00 0.00 178.00 179.65 3kh7 h SER 76 N 0.62 0.00 0.05 -2.05 0.02 -1.93 -1.96 113.55 108.30 3kh7 h SER 76 Ca 0.38 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.17 3kh7 h SER 76 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3kh7 h SER 76 CO -0.14 0.08 -0.55 0.00 -1.14 0.00 0.00 176.83 175.08 3kh7 h ARG 78 N 0.40 0.11 -0.51 0.00 2.43 -1.26 -2.23 114.38 113.33 3kh7 h ARG 78 Ca 0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3kh7 h ARG 78 Cb 1.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3kh7 h ARG 78 CO 0.10 0.07 0.20 0.28 -1.51 0.00 0.00 179.97 179.12 3kh7 h VAL 79 N 0.12 1.19 0.00 0.20 2.07 -1.35 -2.82 116.25 115.66 3kh7 h VAL 79 Ca 0.08 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3kh7 h VAL 79 Cb 0.07 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3kh7 h VAL 79 CO -0.10 0.23 0.00 -0.08 0.02 0.00 0.00 177.57 177.64 3kh7 h GLU 80 N 0.73 0.00 -0.46 1.57 4.81 -0.79 -3.38 114.58 117.06 3kh7 h GLU 80 Ca 0.18 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3kh7 h GLU 80 Cb 0.15 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 3kh7 h GLU 80 CO -0.02 0.00 0.14 1.25 -0.73 0.00 0.00 179.01 179.65 3kh7 h HIS 81 N 0.00 0.23 -0.54 0.92 2.76 -1.14 -1.97 115.15 115.41 3kh7 h HIS 81 Ca 0.00 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3kh7 h HIS 81 Cb 0.82 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 3kh7 h HIS 81 CO 0.00 0.06 0.36 -1.35 -1.30 0.00 0.00 177.93 175.70 3kh7 h PRO 82 N 0.29 0.66 -0.65 5.26 0.11 -1.79 -1.80 132.00 134.07 3kh7 h PRO 82 Ca 0.22 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.21 3kh7 h PRO 82 Cb 0.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 3kh7 h PRO 82 CO -0.25 0.44 0.10 1.49 -0.21 0.00 0.00 178.00 179.56 3kh7 h GLU 83 N 0.68 1.09 -0.62 1.05 4.57 -1.64 -0.81 114.58 118.91 3kh7 h GLU 83 Ca 0.21 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3kh7 h GLU 83 Cb -0.00 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 3kh7 h GLU 83 CO -0.05 1.00 0.31 -0.07 -1.18 0.00 0.00 179.01 179.02 3kh7 h LEU 84 N 1.01 0.80 -0.35 1.64 3.38 -1.07 -1.40 115.31 119.32 3kh7 h LEU 84 Ca 0.20 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kh7 h LEU 84 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3kh7 h LEU 84 CO 0.01 0.69 0.22 0.74 0.09 0.00 0.00 178.44 180.20 3kh7 h THR 85 N 0.84 1.06 -0.61 0.22 2.02 -1.20 -1.06 112.91 114.18 3kh7 h THR 85 Ca 0.21 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.33 3kh7 h THR 85 Cb 0.10 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 3kh7 h THR 85 CO -0.03 0.08 0.24 -0.09 0.37 0.00 0.00 175.52 176.09 3kh7 h ARG 86 N 0.44 0.41 -0.40 6.66 2.43 -0.77 -1.44 114.38 121.71 3kh7 h ARG 86 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3kh7 h ARG 86 Cb -0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3kh7 h ARG 86 CO -0.05 0.27 0.03 -0.07 -1.51 0.00 0.00 179.97 178.64 3kh7 h LEU 87 N 0.42 0.66 -0.91 3.80 3.38 -0.95 -3.04 115.31 118.67 3kh7 h LEU 87 Ca 0.31 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kh7 h LEU 87 Cb 0.38 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3kh7 h LEU 87 CO -0.30 0.79 0.60 0.00 0.09 0.00 0.00 178.44 179.62 3kh7 h ALA 88 N 0.90 1.15 -0.01 1.53 0.00 -0.72 -0.38 119.26 121.73 3kh7 h ALA 88 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kh7 h ALA 88 Cb 0.43 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3kh7 h ALA 88 CO 0.01 0.55 0.04 0.93 0.00 0.00 0.00 179.25 180.78 3kh7 h GLU 89 N 1.23 0.00 -0.62 0.00 5.08 -1.18 -0.62 114.58 118.47 3kh7 h GLU 89 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3kh7 h GLU 89 Cb -0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3kh7 h GLU 89 CO -0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.98 3kh7 n GLN 90 N -3.39 2.94 -0.38 2.33 6.02 -0.21 -4.91 117.38 119.78 3kh7 n GLN 90 Ca -0.03 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.71 3kh7 n GLN 90 Cb 0.11 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.70 3kh7 n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kh7 n GLY 91 N 1.13 0.74 3.66 1.08 0.00 -0.24 -5.04 105.19 106.51 3kh7 n GLY 91 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3kh7 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh7 s VAL 92 N -2.47 4.50 -0.00 1.61 1.01 -0.82 -4.99 120.40 119.24 3kh7 s VAL 92 Ca 0.00 1.80 -0.30 0.00 0.00 0.00 0.00 61.98 63.48 3kh7 s VAL 92 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3kh7 s VAL 92 CO 0.00 -0.22 1.30 -0.69 0.00 0.00 0.00 175.10 175.49 3kh7 s VAL 93 N 3.42 3.92 -0.06 2.92 1.01 -1.26 -4.06 120.40 126.29 3kh7 s VAL 93 Ca 0.48 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.78 3kh7 s VAL 93 Cb -0.17 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3kh7 s VAL 93 CO 0.11 0.02 -0.09 -0.63 0.00 0.00 0.00 175.10 174.51 3kh7 s ILE 94 N 2.04 0.86 -0.00 2.22 1.01 -1.26 -0.82 121.20 125.25 3kh7 s ILE 94 Ca 0.60 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3kh7 s ILE 94 Cb -0.29 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3kh7 s ILE 94 CO 0.26 0.30 -0.05 -0.31 0.00 0.00 0.00 174.94 175.13 3kh7 s TYR 95 N 0.84 2.94 -0.10 3.97 2.02 0.36 -0.81 117.35 126.56 3kh7 s TYR 95 Ca -0.12 -0.00 -0.00 0.00 -0.37 0.00 0.00 57.07 56.58 3kh7 s TYR 95 Cb -0.15 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 3kh7 s TYR 95 CO 0.01 0.40 -0.09 0.20 -1.57 0.00 0.00 175.55 174.50 3kh7 s GLY 96 N -1.43 1.63 -0.32 0.71 0.00 0.37 -0.66 107.32 107.63 3kh7 s GLY 96 Ca 0.17 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.94 3kh7 s GLY 96 CO 0.08 -0.40 0.11 -0.42 0.00 0.00 0.00 173.10 172.47 3kh7 s ILE 97 N -0.18 3.96 -0.58 0.90 1.01 0.80 -0.46 121.20 126.64 3kh7 s ILE 97 Ca 0.02 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 3kh7 s ILE 97 Cb -0.13 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.23 3kh7 s ILE 97 CO 0.03 -0.07 0.99 0.21 0.00 0.00 0.00 174.94 176.09 3kh7 s ASN 98 N 1.46 6.31 -0.27 3.58 3.04 0.38 -0.98 114.94 128.47 3kh7 s ASN 98 Ca 0.01 -0.42 -0.11 0.00 0.04 0.00 0.00 52.86 52.37 3kh7 s ASN 98 Cb -0.18 -2.45 -0.05 0.00 -1.54 0.00 0.00 41.25 37.03 3kh7 s ASN 98 CO 0.03 -1.32 0.20 -0.47 -3.04 0.00 0.00 177.10 172.51 3kh7 s TYR 99 N 4.16 3.25 -1.45 0.43 5.04 0.11 -0.53 117.35 128.36 3kh7 s TYR 99 Ca 0.30 0.18 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 3kh7 s TYR 99 Cb -0.13 -2.37 0.00 0.00 0.35 0.00 0.00 41.96 39.81 3kh7 s TYR 99 CO 0.18 -0.11 0.30 1.63 -1.34 0.00 0.00 175.55 176.21 3kh7 n LYS 100 N 4.88 -2.64 -4.47 4.97 5.02 -0.36 -4.68 118.16 120.88 3kh7 n LYS 100 Ca -0.14 0.32 -0.28 0.00 -2.02 0.00 0.00 58.31 56.19 3kh7 n LYS 100 Cb 0.52 -4.27 -0.09 0.00 -0.02 0.00 0.00 35.03 31.18 3kh7 n LYS 100 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3kh7 s ASP 101 N -4.38 4.13 -0.39 4.39 -1.08 -1.26 -5.02 116.67 113.07 3kh7 s ASP 101 Ca 0.00 -1.34 -0.25 0.00 -0.52 0.00 0.00 52.55 50.44 3kh7 s ASP 101 Cb -0.00 -0.19 0.02 0.00 -1.46 0.00 0.00 42.92 41.29 3kh7 s ASP 101 CO 0.92 -0.60 0.90 -0.62 0.52 0.00 0.00 175.17 176.29 3kh7 s ASP 102 N -3.83 6.62 0.22 -0.34 -1.08 -1.26 -4.90 116.67 112.09 3kh7 s ASP 102 Ca 0.31 0.45 -0.08 0.00 -0.52 0.00 0.00 52.55 52.70 3kh7 s ASP 102 Cb 0.06 -2.45 0.26 0.00 -1.46 0.00 0.00 42.92 39.32 3kh7 s ASP 102 CO 0.16 -0.87 1.83 -1.13 0.52 0.00 0.00 175.17 175.68 3kh7 h ASN 103 N 8.60 0.67 -0.73 -0.34 -0.73 -1.99 -0.04 115.58 121.02 3kh7 h ASN 103 Ca -0.24 0.02 0.03 0.00 1.87 0.00 0.00 56.30 57.98 3kh7 h ASN 103 Cb 1.08 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.51 3kh7 h ASN 103 CO 0.98 0.44 0.47 0.00 -0.37 0.00 0.00 177.43 178.94 3kh7 h ALA 104 N 1.35 0.96 -0.34 1.57 0.00 -1.95 -0.92 119.26 119.94 3kh7 h ALA 104 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3kh7 h ALA 104 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kh7 h ALA 104 CO -0.16 0.26 0.04 0.00 0.00 0.00 0.00 179.25 179.38 3kh7 h ALA 105 N 1.31 0.45 -0.69 0.00 0.00 -1.79 -2.03 119.26 116.50 3kh7 h ALA 105 Ca 0.29 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3kh7 h ALA 105 Cb 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3kh7 h ALA 105 CO -0.11 0.17 0.39 0.00 0.00 0.00 0.00 179.25 179.71 3kh7 h ALA 106 N 0.88 0.93 -0.21 0.00 0.00 -0.72 -0.75 119.26 119.40 3kh7 h ALA 106 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kh7 h ALA 106 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kh7 h ALA 106 CO 0.01 0.07 0.14 0.82 0.00 0.00 0.00 179.25 180.30 3kh7 h ILE 107 N 0.72 1.06 -0.49 0.00 2.04 -1.00 -0.80 117.51 119.03 3kh7 h ILE 107 Ca 0.31 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 66.12 3kh7 h ILE 107 Cb 0.19 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 3kh7 h ILE 107 CO -0.18 0.06 0.20 0.11 0.00 0.00 0.00 178.15 178.33 3kh7 h LYS 108 N 0.29 0.38 -0.73 2.37 1.57 -0.93 -1.20 116.57 118.32 3kh7 h LYS 108 Ca 0.08 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3kh7 h LYS 108 Cb -0.03 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.14 3kh7 h LYS 108 CO -0.02 0.25 0.43 2.35 -0.57 0.00 0.00 179.45 181.90 3kh7 h TRP 109 N 0.40 0.80 0.00 -1.35 2.91 -0.80 0.19 115.95 118.10 3kh7 h TRP 109 Ca 0.23 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.27 3kh7 h TRP 109 Cb 0.21 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.61 3kh7 h TRP 109 CO -0.14 0.40 0.00 -0.07 -1.03 0.00 0.00 178.44 177.60 3kh7 h LEU 110 N 0.80 0.00 0.06 0.65 3.38 -0.54 -2.60 115.31 117.06 3kh7 h LEU 110 Ca 0.32 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.92 3kh7 h LEU 110 Cb 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3kh7 h LEU 110 CO -0.17 0.00 -2.22 0.59 0.09 0.00 0.00 178.44 176.73 3kh7 n ASN 111 N -2.90 1.90 0.04 -0.43 5.03 -0.51 -4.30 115.26 114.10 3kh7 n ASN 111 Ca 0.02 0.05 0.12 0.00 0.87 0.00 0.00 54.58 55.64 3kh7 n ASN 111 Cb 0.34 -0.54 0.13 0.00 -1.02 0.00 0.00 39.78 38.70 3kh7 n ASN 111 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3kh7 n GLU 112 N -3.33 0.25 -4.27 3.52 1.02 0.58 -4.85 120.64 113.56 3kh7 n GLU 112 Ca -0.38 0.04 -0.25 0.00 -0.02 0.00 0.00 57.16 56.56 3kh7 n GLU 112 Cb 1.03 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 30.74 3kh7 n GLU 112 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kh7 s LEU 113 N -3.94 3.16 -0.81 -4.62 1.02 -0.98 -5.06 118.68 107.45 3kh7 s LEU 113 Ca 0.06 -0.57 -0.25 0.00 0.02 0.00 0.00 54.13 53.39 3kh7 s LEU 113 Cb 0.14 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 3kh7 s LEU 113 CO 0.74 0.05 1.87 -1.38 0.02 0.00 0.00 176.35 177.66 3kh7 s HIS 114 N -2.02 1.81 -0.23 0.29 -3.43 -1.26 -4.77 115.29 105.69 3kh7 s HIS 114 Ca 0.29 0.59 -0.32 0.00 -0.80 0.00 0.00 55.06 54.81 3kh7 s HIS 114 Cb -0.08 -4.11 -0.09 0.00 -1.43 0.00 0.00 32.58 26.87 3kh7 s HIS 114 CO 0.18 -1.96 2.13 -1.71 -2.00 0.00 0.00 174.74 171.38 3kh7 n ASN 115 N 13.17 2.94 -0.30 7.38 5.15 -1.26 -4.82 115.26 137.52 3kh7 n ASN 115 Ca 0.32 0.48 0.14 0.00 -0.60 0.00 0.00 54.58 54.92 3kh7 n ASN 115 Cb 0.49 -1.41 0.50 0.00 -0.53 0.00 0.00 39.78 38.83 3kh7 n ASN 115 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3kh7 n PRO 116 N 8.03 1.13 -3.76 1.20 -0.04 -1.26 -4.94 135.00 135.35 3kh7 n PRO 116 Ca 0.32 -0.60 -0.35 0.00 -0.04 0.00 0.00 63.50 62.83 3kh7 n PRO 116 Cb 0.33 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 3kh7 n PRO 116 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kh7 s TYR 117 N -2.28 3.41 0.08 0.54 1.51 -1.26 -4.50 117.35 114.85 3kh7 s TYR 117 Ca 0.31 0.33 0.16 0.00 -1.01 0.00 0.00 57.07 56.86 3kh7 s TYR 117 Cb 0.20 -2.14 0.41 0.00 -0.11 0.00 0.00 41.96 40.33 3kh7 s TYR 117 CO 0.44 0.32 1.61 -0.07 -1.11 0.00 0.00 175.55 176.73 3kh7 h LEU 118 N 6.53 0.00 -7.86 -1.29 3.38 -1.34 -3.44 115.31 111.29 3kh7 h LEU 118 Ca -0.42 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.36 3kh7 h LEU 118 Cb 1.16 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.67 3kh7 h LEU 118 CO 0.74 0.48 -0.70 -0.76 0.09 0.00 0.00 178.44 178.29 3kh7 s LEU 119 N -6.91 2.11 -0.24 1.67 1.43 -1.26 -5.07 118.68 110.41 3kh7 s LEU 119 Ca 0.01 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 3kh7 s LEU 119 Cb 0.10 0.08 0.06 0.00 0.03 0.00 0.00 46.19 46.46 3kh7 s LEU 119 CO 0.72 -0.17 -0.03 -0.44 0.23 0.00 0.00 176.35 176.66 3kh7 s SER 120 N -0.81 3.82 -0.18 2.29 0.01 -1.26 -0.47 113.70 117.10 3kh7 s SER 120 Ca -0.09 -1.21 -0.15 0.00 1.31 0.00 0.00 55.95 55.82 3kh7 s SER 120 Cb -0.06 -1.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 3kh7 s SER 120 CO -0.00 -0.26 0.33 -0.63 0.41 0.00 0.00 173.24 173.09 3kh7 s ILE 121 N 1.42 5.26 -0.51 1.44 1.01 0.40 -1.07 121.20 129.15 3kh7 s ILE 121 Ca -0.04 0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 3kh7 s ILE 121 Cb -0.19 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.65 3kh7 s ILE 121 CO -0.07 0.33 0.82 -0.55 0.00 0.00 0.00 174.94 175.47 3kh7 s SER 122 N 0.73 6.33 -0.97 3.58 0.15 -0.00 -0.47 113.70 123.05 3kh7 s SER 122 Ca 0.17 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.38 3kh7 s SER 122 Cb -0.14 -2.39 0.31 0.00 -1.71 0.00 0.00 66.02 62.09 3kh7 s SER 122 CO 0.06 -1.06 1.46 -0.67 1.20 0.00 0.00 173.24 174.22 3kh7 n ASP 123 N 6.95 6.25 0.05 5.45 2.03 0.31 -4.32 116.55 133.27 3kh7 n ASP 123 Ca -0.00 -3.53 -0.01 0.00 0.52 0.00 0.00 54.79 51.76 3kh7 n ASP 123 Cb 0.47 -1.10 0.27 0.00 -0.72 0.00 0.00 41.12 40.04 3kh7 n ASP 123 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kh7 h ALA 124 N 4.67 1.25 -0.01 -1.67 0.00 -1.91 -0.79 119.26 120.80 3kh7 h ALA 124 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kh7 h ALA 124 Cb 0.51 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kh7 h ALA 124 CO 1.18 0.49 -0.33 -0.25 0.00 0.00 0.00 179.25 180.34 3kh7 n ASP 125 N -4.18 1.57 -0.59 0.00 8.00 -1.26 -4.06 116.55 116.03 3kh7 n ASP 125 Ca -0.00 -1.24 -0.08 0.00 0.71 0.00 0.00 54.79 54.18 3kh7 n ASP 125 Cb 0.35 0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 3kh7 n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kh7 n GLY 126 N 1.37 0.96 0.25 0.44 0.00 -0.84 -4.95 105.19 102.42 3kh7 n GLY 126 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3kh7 n GLY 126 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kh7 h THR 127 N 0.00 1.21 -0.06 2.61 1.35 -1.93 0.10 112.91 116.19 3kh7 h THR 127 Ca -0.16 -0.89 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 3kh7 h THR 127 Cb 0.57 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3kh7 h THR 127 CO 0.23 0.29 -0.21 0.25 -0.25 0.00 0.00 175.52 175.84 3kh7 h LEU 128 N 0.39 0.28 -0.91 3.87 5.85 -1.92 -3.03 115.31 119.83 3kh7 h LEU 128 Ca 0.08 -0.63 0.18 0.00 0.84 0.00 0.00 57.88 58.35 3kh7 h LEU 128 Cb 0.42 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.26 3kh7 h LEU 128 CO 0.02 0.86 0.49 1.23 -0.34 0.00 0.00 178.44 180.70 3kh7 h GLY 129 N -0.29 1.56 0.67 3.75 0.00 -1.88 -1.23 103.07 105.64 3kh7 h GLY 129 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 47.33 47.11 3kh7 h GLY 129 CO 0.04 -0.10 0.27 -2.00 0.00 0.00 0.00 176.54 174.75 3kh7 h LEU 130 N 0.62 0.37 -1.24 3.11 5.85 -0.76 -0.13 115.31 123.12 3kh7 h LEU 130 Ca 0.53 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 59.20 3kh7 h LEU 130 Cb 0.84 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3kh7 h LEU 130 CO -0.41 0.25 -0.36 0.44 -0.34 0.00 0.00 178.44 178.02 3kh7 h ASP 131 N 0.51 0.04 1.19 1.25 3.32 -1.15 -2.93 116.42 118.65 3kh7 h ASP 131 Ca 0.25 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kh7 h ASP 131 Cb 0.18 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3kh7 h ASP 131 CO -0.18 0.39 -0.14 0.18 -1.72 0.00 0.00 179.24 177.77 3kh7 n LEU 132 N -4.11 0.57 -0.66 1.55 4.77 -0.57 -4.94 117.00 113.62 3kh7 n LEU 132 Ca -0.02 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.37 3kh7 n LEU 132 Cb 0.40 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3kh7 n LEU 132 CO 0.39 -0.09 -0.03 0.61 -1.33 0.00 0.00 177.39 176.94 3kh7 n GLY 133 N 1.37 0.29 3.74 -0.72 0.00 -0.24 -4.82 105.19 104.82 3kh7 n GLY 133 Ca 0.06 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 3kh7 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kh7 s VAL 134 N -2.42 3.85 -0.01 1.61 1.01 -0.23 -4.35 120.40 119.86 3kh7 s VAL 134 Ca 0.03 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3kh7 s VAL 134 Cb -0.01 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3kh7 s VAL 134 CO 0.04 0.29 0.82 0.00 0.00 0.00 0.00 175.10 176.24 3kh7 n TYR 135 N 2.24 0.00 -3.46 5.22 0.18 -1.26 -4.74 117.16 115.33 3kh7 n TYR 135 Ca 0.02 -0.11 0.00 0.00 1.88 0.00 0.00 57.90 59.69 3kh7 n TYR 135 Cb 0.46 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 3kh7 n TYR 135 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3kh7 n GLY 136 N -0.14 -1.10 3.24 -7.48 0.00 -1.26 -5.18 105.19 93.27 3kh7 n GLY 136 Ca 0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 3kh7 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kh7 s ALA 137 N -1.00 -0.46 0.62 4.61 0.00 -1.26 -4.43 121.76 119.83 3kh7 s ALA 137 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 3kh7 s ALA 137 Cb 0.00 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 3kh7 s ALA 137 CO 0.00 -0.55 1.03 -1.25 0.00 0.00 0.00 175.76 174.99 3kh7 s PRO 138 N -3.84 3.53 0.02 0.00 0.04 -1.26 -4.77 135.00 128.71 3kh7 s PRO 138 Ca 0.04 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.93 3kh7 s PRO 138 Cb 0.04 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 3kh7 s PRO 138 CO -0.11 -0.63 -0.08 -1.21 0.04 0.00 0.00 177.00 175.02 3kh7 s GLU 139 N -4.97 0.55 -0.05 4.56 2.02 -1.16 -1.15 118.70 118.49 3kh7 s GLU 139 Ca 0.56 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 55.09 3kh7 s GLU 139 Cb -0.12 -0.46 0.02 0.00 0.10 0.00 0.00 34.13 33.67 3kh7 s GLU 139 CO 0.50 0.11 -0.07 0.99 0.02 0.00 0.00 175.26 176.81 3kh7 s THR 140 N -0.67 0.78 -0.07 3.63 2.01 -0.06 -0.60 115.64 120.66 3kh7 s THR 140 Ca -0.02 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.69 3kh7 s THR 140 Cb -0.06 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 3kh7 s THR 140 CO 0.00 0.28 0.05 -0.31 -0.69 0.00 0.00 174.62 173.95 3kh7 s TYR 141 N 0.86 3.28 -0.25 4.92 1.51 0.47 -0.14 117.35 128.00 3kh7 s TYR 141 Ca -0.12 0.26 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 3kh7 s TYR 141 Cb -0.15 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 3kh7 s TYR 141 CO 0.01 0.55 0.20 -1.17 -1.11 0.00 0.00 175.55 174.03 3kh7 s LEU 142 N -1.15 4.09 0.10 -1.29 2.96 0.14 -0.19 118.68 123.35 3kh7 s LEU 142 Ca 0.16 0.12 0.08 0.00 -0.22 0.00 0.00 54.13 54.28 3kh7 s LEU 142 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3kh7 s LEU 142 CO 0.06 0.01 -0.17 0.27 -1.32 0.00 0.00 176.35 175.19 3kh7 s ILE 143 N 1.31 2.88 0.80 6.68 -4.36 -0.27 0.34 121.20 128.58 3kh7 s ILE 143 Ca 0.09 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 58.98 3kh7 s ILE 143 Cb -0.14 -2.30 0.17 0.00 1.25 0.00 0.00 42.46 41.43 3kh7 s ILE 143 CO 0.07 0.14 1.09 -0.90 0.24 0.00 0.00 174.94 175.58 3kh7 n ASP 144 N 0.91 0.86 0.19 4.36 5.68 -0.63 -1.31 116.55 126.61 3kh7 n ASP 144 Ca -0.16 -1.87 0.18 0.00 -0.50 0.00 0.00 54.79 52.45 3kh7 n ASP 144 Cb 0.53 -0.77 0.81 0.00 -1.14 0.00 0.00 41.12 40.55 3kh7 n ASP 144 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3kh7 h LYS 145 N 0.00 0.00 -0.15 0.11 5.09 -1.87 -0.60 116.57 119.15 3kh7 h LYS 145 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.38 3kh7 h LYS 145 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 3kh7 h LYS 145 CO 0.33 0.00 0.00 1.04 -2.09 0.00 0.00 179.45 178.73 3kh7 n GLN 146 N -3.57 1.97 -0.96 0.07 3.00 -1.26 -0.45 117.38 116.18 3kh7 n GLN 146 Ca 0.03 -1.44 0.00 0.00 -0.01 0.00 0.00 57.00 55.58 3kh7 n GLN 146 Cb 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3kh7 n GLN 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kh7 n GLY 147 N 1.25 0.50 3.72 1.08 0.00 -0.23 -4.89 105.19 106.62 3kh7 n GLY 147 Ca 0.17 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3kh7 n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kh7 s ILE 148 N -2.00 4.52 0.06 -0.61 -1.09 -1.26 -0.55 121.20 120.27 3kh7 s ILE 148 Ca 0.00 1.95 -0.31 0.00 -2.23 0.00 0.00 60.65 60.06 3kh7 s ILE 148 Cb 0.00 -4.25 -0.06 0.00 -1.58 0.00 0.00 42.46 36.57 3kh7 s ILE 148 CO 0.00 0.23 1.29 -0.63 -1.23 0.00 0.00 174.94 174.59 3kh7 s ILE 149 N 0.50 3.78 -0.02 2.92 1.01 -0.10 -1.60 121.20 127.70 3kh7 s ILE 149 Ca 0.51 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.43 3kh7 s ILE 149 Cb -0.24 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3kh7 s ILE 149 CO 0.30 0.07 0.04 0.54 0.00 0.00 0.00 174.94 175.89 3kh7 n ARG 150 N 4.25 1.40 -3.54 2.79 5.12 0.15 -0.39 116.66 126.44 3kh7 n ARG 150 Ca 0.10 -0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.88 3kh7 n ARG 150 Cb 0.45 -0.94 -0.05 0.00 -1.16 0.00 0.00 32.46 30.76 3kh7 n ARG 150 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3kh7 s HIS 151 N -1.90 -0.50 -0.03 -1.55 2.46 -1.17 -4.84 115.29 107.77 3kh7 s HIS 151 Ca -0.00 0.80 0.02 0.00 0.47 0.00 0.00 55.06 56.35 3kh7 s HIS 151 Cb 0.01 0.44 0.01 0.00 -0.13 0.00 0.00 32.58 32.91 3kh7 s HIS 151 CO 0.06 -0.50 -0.07 0.21 -2.47 0.00 0.00 174.74 171.97 3kh7 s LYS 152 N -1.42 0.83 -0.14 2.88 2.20 -1.26 -0.68 119.74 122.14 3kh7 s LYS 152 Ca -0.05 -0.23 -0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3kh7 s LYS 152 Cb -0.00 -0.79 -0.02 0.00 -1.51 0.00 0.00 37.83 35.50 3kh7 s LYS 152 CO 0.04 0.06 -0.07 0.42 -0.36 0.00 0.00 175.35 175.44 3kh7 s ILE 153 N 0.34 3.61 -0.22 5.43 -1.09 0.80 -4.80 121.20 125.27 3kh7 s ILE 153 Ca -0.05 -0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 3kh7 s ILE 153 Cb -0.09 -2.56 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3kh7 s ILE 153 CO 0.00 0.51 0.10 -0.69 -1.23 0.00 0.00 174.94 173.63 3kh7 s VAL 154 N 0.32 4.87 0.00 2.92 1.01 -1.26 -0.88 120.40 127.37 3kh7 s VAL 154 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3kh7 s VAL 154 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3kh7 s VAL 154 CO 0.04 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3kh7 n GLY 155 N 4.15 0.13 3.62 4.51 0.00 -0.30 -4.99 105.19 112.30 3kh7 n GLY 155 Ca -0.16 -1.84 -0.51 0.00 0.00 0.00 0.00 46.02 43.51 3kh7 n GLY 155 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kh7 n VAL 156 N 0.31 0.04 -3.15 1.61 0.31 -1.26 -4.67 118.33 111.52 3kh7 n VAL 156 Ca 0.00 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3kh7 n VAL 156 Cb 0.00 -1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 31.87 3kh7 n VAL 156 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kh7 s VAL 157 N 0.90 5.00 0.21 2.52 1.01 -1.26 -4.96 120.40 123.82 3kh7 s VAL 157 Ca 0.85 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3kh7 s VAL 157 Cb -0.91 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 31.56 3kh7 s VAL 157 CO 0.47 0.01 0.09 -0.90 0.00 0.00 0.00 175.10 174.77 3kh7 n ASP 158 N 5.70 2.08 -0.26 3.32 5.75 -1.26 -4.84 116.55 127.04 3kh7 n ASP 158 Ca -0.02 -1.83 -0.01 0.00 -0.01 0.00 0.00 54.79 52.92 3kh7 n ASP 158 Cb 0.49 0.05 0.18 0.00 -1.03 0.00 0.00 41.12 40.82 3kh7 n ASP 158 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3kh7 h GLN 159 N 0.00 1.09 -0.24 0.11 4.20 -1.97 -0.28 115.11 118.03 3kh7 h GLN 159 Ca -0.15 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 3kh7 h GLN 159 Cb 0.52 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3kh7 h GLN 159 CO 0.25 0.77 -0.14 0.87 -0.67 0.00 0.00 178.83 179.90 3kh7 h LYS 160 N 1.11 0.51 -0.50 1.46 1.57 -1.99 -0.33 116.57 118.40 3kh7 h LYS 160 Ca 0.29 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3kh7 h LYS 160 Cb -0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3kh7 h LYS 160 CO -0.05 0.80 0.31 0.28 -0.57 0.00 0.00 179.45 180.21 3kh7 h VAL 161 N 0.22 1.06 0.03 0.50 2.07 -1.87 -1.41 116.25 116.86 3kh7 h VAL 161 Ca 0.05 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kh7 h VAL 161 Cb 0.66 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3kh7 h VAL 161 CO 0.04 0.11 -0.12 -0.25 0.02 0.00 0.00 177.57 177.37 3kh7 h TRP 162 N 0.61 -0.32 -0.65 1.57 2.91 -0.95 0.06 115.95 119.19 3kh7 h TRP 162 Ca 0.20 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 3kh7 h TRP 162 Cb 0.00 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 3kh7 h TRP 162 CO -0.06 -0.19 0.23 -0.09 -1.03 0.00 0.00 178.44 177.30 3kh7 h ARG 163 N -0.23 0.99 0.04 2.65 2.43 -0.76 0.28 114.38 119.79 3kh7 h ARG 163 Ca 0.03 -0.20 -0.34 0.00 -0.81 0.00 0.00 59.98 58.67 3kh7 h ARG 163 Cb 0.26 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3kh7 h ARG 163 CO -0.10 0.85 -1.99 0.39 -1.51 0.00 0.00 179.97 177.61 3kh7 n GLU 164 N -4.38 0.69 -0.00 0.20 1.02 -0.56 -4.37 120.64 113.23 3kh7 n GLU 164 Ca 0.04 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.46 3kh7 n GLU 164 Cb 0.19 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 3kh7 n GLU 164 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3kh7 n GLN 165 N -3.18 1.21 0.00 3.49 6.02 0.00 -4.80 117.38 120.12 3kh7 n GLN 165 Ca -0.28 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.65 3kh7 n GLN 165 Cb 1.06 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 31.16 3kh7 n GLN 165 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3kh7 n LEU 166 N -1.69 0.53 -0.23 1.08 4.77 -0.87 -4.84 117.00 115.76 3kh7 n LEU 166 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3kh7 n LEU 166 Cb 0.23 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.46 3kh7 n LEU 166 CO 0.21 0.03 1.02 0.00 -1.33 0.00 0.00 177.39 177.32 3kh7 h ALA 167 N 0.00 0.91 -0.70 -1.18 0.00 -0.67 0.12 119.26 117.74 3kh7 h ALA 167 Ca 0.00 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kh7 h ALA 167 Cb 0.86 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3kh7 h ALA 167 CO 0.00 -0.16 0.29 -1.35 0.00 0.00 0.00 179.25 178.03 3kh7 h PRO 168 N 0.47 1.03 -0.10 0.00 0.11 -1.82 0.45 132.00 132.14 3kh7 h PRO 168 Ca 0.35 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3kh7 h PRO 168 Cb 0.45 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 3kh7 h PRO 168 CO -0.33 0.83 0.02 -0.07 -0.21 0.00 0.00 178.00 178.25 3kh7 h LEU 169 N 1.01 0.15 -0.58 2.35 3.38 -1.67 -2.74 115.31 117.21 3kh7 h LEU 169 Ca 0.24 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kh7 h LEU 169 Cb 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3kh7 h LEU 169 CO -0.02 0.36 0.32 0.22 0.09 0.00 0.00 178.44 179.42 3kh7 h TYR 170 N -0.07 0.60 -0.95 1.13 3.20 -0.48 -1.63 116.97 118.76 3kh7 h TYR 170 Ca 0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 3kh7 h TYR 170 Cb 0.28 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.32 3kh7 h TYR 170 CO 0.01 0.30 0.63 0.37 -1.64 0.00 0.00 178.16 177.84 3kh7 h GLN 171 N 0.62 1.25 -0.43 1.82 5.75 -0.92 -1.84 115.11 121.36 3kh7 h GLN 171 Ca 0.25 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 3kh7 h GLN 171 Cb 0.12 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 3kh7 h GLN 171 CO -0.15 0.83 0.01 1.96 -2.65 0.00 0.00 178.83 178.83 3kh7 h GLN 172 N 1.29 0.70 0.00 1.69 7.50 -1.06 -2.71 115.11 122.52 3kh7 h GLN 172 Ca 0.35 -0.17 -0.13 0.00 0.50 0.00 0.00 58.65 59.20 3kh7 h GLN 172 Cb -0.15 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.27 3kh7 h GLN 172 CO -0.08 0.71 -0.61 -0.07 -1.50 0.00 0.00 178.83 177.29 3kh7 h LEU 173 N 0.66 0.00 -0.30 1.46 3.38 -0.68 -3.14 115.31 116.68 3kh7 h LEU 173 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3kh7 h LEU 173 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kh7 h LEU 173 CO 0.01 0.61 -0.07 -0.07 0.09 0.00 0.00 178.44 179.01 3kh7 h LEU 174 N 0.00 0.58 0.00 1.67 3.38 -1.18 -3.46 115.31 116.30 3kh7 h LEU 174 Ca -0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3kh7 h LEU 174 Cb 1.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kh7 h LEU 174 CO 0.08 0.81 0.00 0.47 0.09 0.00 0.00 178.44 179.89