#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk6 s GLY 2 N 0.00 0.79 -0.57 3.17 0.00 -1.26 -4.94 107.32 104.52 2kk6 s GLY 2 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 44.72 45.31 2kk6 s GLY 2 CO 0.00 3.44 0.33 -1.58 0.00 0.00 0.00 173.10 175.29 2kk6 s HIS 3 N 7.01 3.11 -0.23 1.90 5.65 -1.26 -5.07 115.29 126.41 2kk6 s HIS 3 Ca 0.87 -3.12 -0.35 0.00 0.25 0.00 0.00 55.06 52.71 2kk6 s HIS 3 Cb -0.28 -2.63 0.15 0.00 -1.18 0.00 0.00 32.58 28.65 2kk6 s HIS 3 CO 0.34 -0.68 1.27 -3.38 -0.65 0.00 0.00 174.74 171.63 2kk6 s HIS 4 N -0.59 -0.10 0.00 3.88 -0.00 -1.26 -5.13 115.29 112.10 2kk6 s HIS 4 Ca 0.20 0.09 0.00 0.00 -0.00 0.00 0.00 55.06 55.35 2kk6 s HIS 4 Cb -0.18 0.50 0.00 0.00 -0.00 0.00 0.00 32.58 32.90 2kk6 s HIS 4 CO -0.06 -0.14 0.00 0.72 -0.00 0.00 0.00 174.74 175.26 2kk6 n HIS 5 N 0.08 0.00 -3.66 0.38 -0.00 -1.26 -5.00 115.22 105.76 2kk6 n HIS 5 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 2kk6 n HIS 5 Cb 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.62 2kk6 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk6 n HIS 6 N -0.94 -2.29 0.06 4.41 -0.00 -1.26 -4.88 115.22 110.34 2kk6 n HIS 6 Ca 0.00 0.92 0.20 0.00 -0.00 0.00 0.00 57.72 58.84 2kk6 n HIS 6 Cb 0.00 -4.62 0.74 0.00 -0.00 0.00 0.00 29.99 26.11 2kk6 n HIS 6 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2kk6 h HIS 7 N -2.11 0.00 -2.01 4.41 -0.00 -2.07 -2.81 115.15 110.57 2kk6 h HIS 7 Ca -0.59 0.00 -0.74 0.00 -0.00 0.00 0.00 60.37 59.04 2kk6 h HIS 7 Cb 1.36 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 28.60 2kk6 h HIS 7 CO 0.49 0.00 1.49 1.58 -0.00 0.00 0.00 177.93 181.48 2kk6 n HIS 8 N -4.03 4.71 -1.61 6.12 -0.00 -1.26 -5.02 115.22 114.13 2kk6 n HIS 8 Ca 0.08 -3.27 -0.33 0.00 -0.00 0.00 0.00 57.72 54.20 2kk6 n HIS 8 Cb 0.57 -2.18 0.06 0.00 -0.00 0.00 0.00 29.99 28.44 2kk6 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kk6 s SER 9 N 2.65 4.79 -0.14 0.26 0.15 -1.06 -5.06 113.70 115.28 2kk6 s SER 9 Ca 0.43 2.06 -0.06 0.00 0.70 0.00 0.00 55.95 59.08 2kk6 s SER 9 Cb -0.01 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2kk6 s SER 9 CO 0.01 -1.85 0.31 -2.28 1.20 0.00 0.00 173.24 170.63 2kk6 s HIS 10 N -2.33 -0.49 0.57 3.44 5.65 -1.26 -5.17 115.29 115.71 2kk6 s HIS 10 Ca 0.68 1.06 -0.09 0.00 0.25 0.00 0.00 55.06 56.96 2kk6 s HIS 10 Cb -0.22 0.11 -0.03 0.00 -1.18 0.00 0.00 32.58 31.26 2kk6 s HIS 10 CO 0.44 -0.33 0.94 0.00 -0.65 0.00 0.00 174.74 175.15 2kk6 s MET 11 N 1.81 3.52 -0.17 2.88 0.00 -1.26 -5.07 119.30 121.00 2kk6 s MET 11 Ca -0.05 0.51 -0.11 0.00 0.00 0.00 0.00 55.69 56.04 2kk6 s MET 11 Cb -0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 34.83 32.49 2kk6 s MET 11 CO -0.10 -0.47 0.19 0.15 0.00 0.00 0.00 175.02 174.79 2kk6 s LYS 12 N -5.03 4.10 1.36 3.16 -0.14 -1.26 -5.11 119.74 116.82 2kk6 s LYS 12 Ca 0.52 -0.09 -0.21 0.00 -1.36 0.00 0.00 55.97 54.83 2kk6 s LYS 12 Cb -0.11 -3.38 0.35 0.00 -1.68 0.00 0.00 37.83 33.00 2kk6 s LYS 12 CO 0.50 0.36 0.97 -1.25 -0.76 0.00 0.00 175.35 175.17 2kk6 s PRO 13 N 0.15 -2.46 0.14 -1.68 0.04 -1.26 -4.86 135.00 125.08 2kk6 s PRO 13 Ca 0.12 0.20 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 2kk6 s PRO 13 Cb -0.12 -1.43 -0.01 0.00 0.04 0.00 0.00 34.50 32.99 2kk6 s PRO 13 CO 0.01 -4.58 1.74 1.25 0.04 0.00 0.00 177.00 175.46 2kk6 h LEU 14 N -3.21 0.47 -2.69 -3.56 5.85 -1.99 -2.29 115.31 107.89 2kk6 h LEU 14 Ca -0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2kk6 h LEU 14 Cb 1.33 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2kk6 h LEU 14 CO 0.32 0.43 0.00 0.00 -0.34 0.00 0.00 178.44 178.85 2kk6 h ALA 15 N 1.06 1.00 -0.00 1.25 0.00 -1.97 -1.15 119.26 119.46 2kk6 h ALA 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kk6 h ALA 15 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kk6 h ALA 15 CO -0.02 0.00 -0.14 0.39 0.00 0.00 0.00 179.25 179.48 2kk6 n GLU 16 N -3.08 0.67 -3.14 0.00 -0.58 -0.86 -4.88 120.64 108.77 2kk6 n GLU 16 Ca -0.02 -0.25 -0.39 0.00 -0.42 0.00 0.00 57.16 56.07 2kk6 n GLU 16 Cb 0.12 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.44 2kk6 n GLU 16 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2kk6 s GLN 17 N -2.51 4.40 0.24 3.49 -1.52 -0.43 -4.97 119.66 118.36 2kk6 s GLN 17 Ca 0.27 0.73 0.09 0.00 -1.95 0.00 0.00 55.36 54.50 2kk6 s GLN 17 Cb 0.20 -3.44 0.25 0.00 -0.22 0.00 0.00 33.01 29.80 2kk6 s GLN 17 CO 0.49 0.10 1.55 0.38 -0.25 0.00 0.00 175.29 177.56 2kk6 h ASP 18 N 6.72 0.06 0.39 5.90 2.03 -1.89 -2.49 116.42 127.14 2kk6 h ASP 18 Ca -0.41 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 2kk6 h ASP 18 Cb 1.19 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2kk6 h ASP 18 CO 0.75 0.72 0.00 -2.67 -1.03 0.00 0.00 179.24 177.01 2kk6 n TRP 19 N -3.75 0.00 -3.13 4.15 4.27 -1.25 -2.99 117.44 114.73 2kk6 n TRP 19 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 2kk6 n TRP 19 Cb 0.67 -0.32 -0.07 0.00 -1.36 0.00 0.00 31.31 30.23 2kk6 n TRP 19 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2kk6 s TYR 20 N -2.63 3.10 -1.56 -2.67 5.04 -0.94 -1.25 117.35 116.43 2kk6 s TYR 20 Ca 0.17 0.04 0.18 0.00 -2.44 0.00 0.00 57.07 55.02 2kk6 s TYR 20 Cb 0.13 -3.24 0.52 0.00 0.35 0.00 0.00 41.96 39.72 2kk6 s TYR 20 CO 0.29 -0.77 1.43 0.72 -1.34 0.00 0.00 175.55 175.88 2kk6 n HIS 21 N 6.13 0.79 -4.57 4.97 8.25 -1.02 -4.86 115.22 124.90 2kk6 n HIS 21 Ca -0.02 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 2kk6 n HIS 21 Cb 0.48 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2kk6 n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kk6 n GLY 22 N 1.21 1.27 3.28 -1.41 0.00 -1.26 -4.43 105.19 103.85 2kk6 n GLY 22 Ca 0.20 -0.70 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 2kk6 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk6 s ALA 23 N -1.82 3.68 0.14 4.61 0.00 -1.26 -0.56 121.76 126.55 2kk6 s ALA 23 Ca 0.00 -2.74 0.09 0.00 0.00 0.00 0.00 51.96 49.32 2kk6 s ALA 23 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 2kk6 s ALA 23 CO 0.00 -2.05 -0.18 0.96 0.00 0.00 0.00 175.76 174.49 2kk6 s ILE 24 N 1.17 2.82 0.64 0.00 -4.36 -1.26 -4.83 121.20 115.39 2kk6 s ILE 24 Ca 0.07 -1.60 -0.17 0.00 -0.26 0.00 0.00 60.65 58.69 2kk6 s ILE 24 Cb -0.25 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 2kk6 s ILE 24 CO -0.01 0.04 0.92 -2.65 0.24 0.00 0.00 174.94 173.48 2kk6 n PRO 25 N 0.62 0.74 -0.29 0.37 -0.02 -1.26 -4.80 135.00 130.36 2kk6 n PRO 25 Ca -0.15 0.30 -0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2kk6 n PRO 25 Cb 0.53 -2.14 0.13 0.00 -0.02 0.00 0.00 33.50 32.00 2kk6 n PRO 25 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2kk6 h ARG 26 N 0.22 0.87 0.02 -0.52 2.43 -2.00 -2.03 114.38 113.37 2kk6 h ARG 26 Ca -0.48 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2kk6 h ARG 26 Cb 1.36 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 2kk6 h ARG 26 CO 0.49 0.57 -0.18 0.82 -1.51 0.00 0.00 179.97 180.17 2kk6 h ILE 27 N 0.89 0.58 -0.78 1.20 2.04 -1.99 -1.73 117.51 117.71 2kk6 h ILE 27 Ca 0.35 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.30 2kk6 h ILE 27 Cb 0.17 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 2kk6 h ILE 27 CO -0.17 0.00 0.44 -0.33 0.00 0.00 0.00 178.15 178.09 2kk6 h GLU 28 N -0.30 0.73 -0.74 2.37 4.39 -1.83 0.26 114.58 119.46 2kk6 h GLU 28 Ca 0.05 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kk6 h GLU 28 Cb 0.36 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 2kk6 h GLU 28 CO -0.15 0.48 0.37 0.00 -1.16 0.00 0.00 179.01 178.55 2kk6 h ALA 29 N 1.43 1.27 0.00 3.43 0.00 -0.92 -2.95 119.26 121.53 2kk6 h ALA 29 Ca 0.37 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2kk6 h ALA 29 Cb 0.33 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2kk6 h ALA 29 CO -0.24 0.57 -1.22 -0.56 0.00 0.00 0.00 179.25 177.80 2kk6 h GLN 30 N 1.04 0.00 -0.73 0.00 -0.00 -0.69 -3.35 115.11 111.38 2kk6 h GLN 30 Ca 0.26 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.94 2kk6 h GLN 30 Cb 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.51 2kk6 h GLN 30 CO -0.04 0.41 0.48 0.93 -0.00 0.00 0.00 178.83 180.62 2kk6 h GLU 31 N 0.00 0.87 0.00 0.06 4.39 -0.33 -1.94 114.58 117.62 2kk6 h GLU 31 Ca -0.13 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.39 2kk6 h GLU 31 Cb 1.61 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.04 2kk6 h GLU 31 CO 0.06 0.57 -0.62 1.37 -1.16 0.00 0.00 179.01 179.23 2kk6 h LEU 32 N 0.89 0.00 -8.36 1.33 8.10 -1.68 -3.41 115.31 112.18 2kk6 h LEU 32 Ca 0.29 0.00 -0.42 0.00 0.11 0.00 0.00 57.88 57.86 2kk6 h LEU 32 Cb 0.04 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.22 2kk6 h LEU 32 CO -0.08 0.62 1.08 -0.76 -4.11 0.00 0.00 178.44 175.20 2kk6 s LEU 33 N -7.01 3.24 0.00 0.17 1.43 -0.73 -4.65 118.68 111.13 2kk6 s LEU 33 Ca 0.01 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2kk6 s LEU 33 Cb 0.11 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.78 2kk6 s LEU 33 CO 0.75 -2.49 0.00 2.29 0.23 0.00 0.00 176.35 177.14 2kk6 n LYS 34 N 9.04 2.37 -4.49 1.70 2.85 -1.26 -4.96 118.16 123.41 2kk6 n LYS 34 Ca 0.29 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.30 2kk6 n LYS 34 Cb 0.50 -0.89 -0.09 0.00 -0.65 0.00 0.00 35.03 33.90 2kk6 n LYS 34 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 2kk6 s LYS 35 N -1.69 1.86 0.21 -1.58 -2.85 -1.26 -5.13 119.74 109.30 2kk6 s LYS 35 Ca 0.00 -2.12 -0.30 0.00 -1.00 0.00 0.00 55.97 52.55 2kk6 s LYS 35 Cb 0.00 -0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 35.07 2kk6 s LYS 35 CO 0.00 -0.43 1.32 -1.14 0.10 0.00 0.00 175.35 175.19 2kk6 s GLN 36 N -3.75 4.38 0.00 1.78 2.00 -1.26 -3.37 119.66 119.44 2kk6 s GLN 36 Ca 0.26 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 55.70 2kk6 s GLN 36 Cb 0.04 -3.18 0.00 0.00 0.80 0.00 0.00 33.01 30.66 2kk6 s GLN 36 CO 0.15 -0.25 0.00 0.41 -0.50 0.00 0.00 175.29 175.09 2kk6 n GLY 37 N 2.25 3.12 3.70 2.59 0.00 -1.10 -4.91 105.19 110.84 2kk6 n GLY 37 Ca 0.06 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.53 2kk6 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kk6 n ASP 38 N 0.07 2.56 -3.85 1.61 8.00 -1.22 -3.96 116.55 119.76 2kk6 n ASP 38 Ca 0.00 1.06 -0.11 0.00 0.71 0.00 0.00 54.79 56.45 2kk6 n ASP 38 Cb 0.00 -1.20 -0.09 0.00 -0.02 0.00 0.00 41.12 39.82 2kk6 n ASP 38 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2kk6 s PHE 39 N 3.37 0.06 0.03 1.24 -0.71 -1.26 -1.03 117.98 119.68 2kk6 s PHE 39 Ca 0.96 -0.26 -0.21 0.00 -1.04 0.00 0.00 56.93 56.38 2kk6 s PHE 39 Cb -0.98 -0.04 0.04 0.00 -1.21 0.00 0.00 43.02 40.84 2kk6 s PHE 39 CO 0.61 -0.41 0.47 -0.48 -1.34 0.00 0.00 175.22 174.07 2kk6 s LEU 40 N -1.99 0.15 -0.16 -1.99 2.34 -0.47 -2.66 118.68 113.90 2kk6 s LEU 40 Ca -0.06 0.16 -0.03 0.00 0.06 0.00 0.00 54.13 54.25 2kk6 s LEU 40 Cb -0.02 1.92 -0.02 0.00 -0.56 0.00 0.00 46.19 47.51 2kk6 s LEU 40 CO -0.03 -0.65 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.86 2kk6 s VAL 41 N -2.19 3.70 0.24 1.48 1.01 -0.38 -1.38 120.40 122.87 2kk6 s VAL 41 Ca -0.07 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2kk6 s VAL 41 Cb -0.01 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 2kk6 s VAL 41 CO 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.49 2kk6 s ARG 42 N 0.52 1.41 0.03 2.72 1.70 -0.84 -2.42 118.95 122.07 2kk6 s ARG 42 Ca -0.04 -1.68 -0.05 0.00 -0.47 0.00 0.00 55.73 53.49 2kk6 s ARG 42 Cb -0.15 -1.07 -0.05 0.00 -0.57 0.00 0.00 34.95 33.12 2kk6 s ARG 42 CO 0.03 0.09 0.27 -2.00 -1.08 0.00 0.00 175.30 172.61 2kk6 s GLU 43 N -3.70 3.56 0.03 3.89 2.12 0.28 -0.38 118.70 124.48 2kk6 s GLU 43 Ca 0.26 -0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 2kk6 s GLU 43 Cb 0.02 -3.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.30 2kk6 s GLU 43 CO 0.09 0.62 1.52 0.45 -0.54 0.00 0.00 175.26 177.39 2kk6 s SER 44 N -1.94 6.74 -0.37 -1.70 0.15 0.69 -4.07 113.70 113.19 2kk6 s SER 44 Ca 0.31 2.27 -0.27 0.00 0.70 0.00 0.00 55.95 58.96 2kk6 s SER 44 Cb -0.13 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 2kk6 s SER 44 CO 0.19 -0.80 2.22 -2.28 1.20 0.00 0.00 173.24 173.78 2kk6 s HIS 45 N 2.57 1.23 0.00 3.44 2.46 -1.26 -0.85 115.29 122.88 2kk6 s HIS 45 Ca 0.68 0.98 0.00 0.00 0.47 0.00 0.00 55.06 57.19 2kk6 s HIS 45 Cb -0.35 -3.82 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 2kk6 s HIS 45 CO 0.29 -3.20 0.00 0.41 -2.47 0.00 0.00 174.74 169.77 2kk6 n GLY 46 N 5.82 0.63 2.88 1.59 0.00 -1.26 -5.04 105.19 109.82 2kk6 n GLY 46 Ca 0.31 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 2kk6 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kk6 s LYS 47 N -0.84 1.67 0.03 1.61 2.47 -0.03 -5.10 119.74 119.56 2kk6 s LYS 47 Ca 0.00 -2.30 -0.30 0.00 -1.56 0.00 0.00 55.97 51.81 2kk6 s LYS 47 Cb 0.00 -2.97 -0.08 0.00 -1.46 0.00 0.00 37.83 33.32 2kk6 s LYS 47 CO 0.00 -1.10 1.81 -1.25 0.16 0.00 0.00 175.35 174.97 2kk6 s PRO 48 N 0.11 4.16 0.00 4.03 0.04 -1.26 -2.51 135.00 139.57 2kk6 s PRO 48 Ca 0.16 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2kk6 s PRO 48 Cb -0.24 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kk6 s PRO 48 CO -0.02 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2kk6 n GLY 49 N 4.29 1.06 3.42 0.56 0.00 -1.26 -5.01 105.19 108.25 2kk6 n GLY 49 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 2kk6 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kk6 s GLU 50 N -0.63 3.21 -0.06 1.61 2.12 -1.05 -5.00 118.70 118.90 2kk6 s GLU 50 Ca 0.00 -1.29 -0.10 0.00 0.36 0.00 0.00 54.97 53.95 2kk6 s GLU 50 Cb 0.00 -4.40 -0.05 0.00 0.26 0.00 0.00 34.13 29.94 2kk6 s GLU 50 CO 0.00 -1.68 0.25 0.71 -0.54 0.00 0.00 175.26 174.00 2kk6 s TYR 51 N 3.08 3.64 -0.06 5.30 1.51 -1.26 -0.22 117.35 129.35 2kk6 s TYR 51 Ca 0.20 0.71 0.02 0.00 -1.01 0.00 0.00 57.07 56.99 2kk6 s TYR 51 Cb -0.17 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2kk6 s TYR 51 CO 0.04 0.69 -0.12 0.08 -1.11 0.00 0.00 175.55 175.12 2kk6 s VAL 52 N -1.08 1.14 0.07 0.71 1.01 0.49 -1.39 120.40 121.34 2kk6 s VAL 52 Ca 0.20 -0.49 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 2kk6 s VAL 52 Cb -0.14 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 2kk6 s VAL 52 CO 0.09 0.35 0.63 -0.22 0.00 0.00 0.00 175.10 175.95 2kk6 s LEU 53 N 0.59 4.51 -0.10 3.92 2.96 0.53 -1.99 118.68 129.10 2kk6 s LEU 53 Ca -0.13 1.33 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 2kk6 s LEU 53 Cb -0.15 -3.01 0.02 0.00 0.50 0.00 0.00 46.19 43.55 2kk6 s LEU 53 CO 0.03 0.20 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.71 2kk6 s SER 54 N -0.80 2.16 -0.01 3.68 0.01 -0.48 -0.50 113.70 117.77 2kk6 s SER 54 Ca 0.32 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 2kk6 s SER 54 Cb -0.20 -0.93 -0.00 0.00 0.21 0.00 0.00 66.02 65.10 2kk6 s SER 54 CO 0.20 -0.03 0.05 0.54 0.41 0.00 0.00 173.24 174.41 2kk6 s VAL 55 N 1.17 0.04 -0.53 3.43 0.11 -0.12 -1.37 120.40 123.13 2kk6 s VAL 55 Ca -0.04 -0.33 -0.22 0.00 -2.93 0.00 0.00 61.98 58.46 2kk6 s VAL 55 Cb -0.14 -0.19 0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2kk6 s VAL 55 CO -0.03 -0.18 0.80 -0.47 -3.33 0.00 0.00 175.10 171.89 2kk6 s TYR 56 N -0.55 2.91 -0.03 1.54 5.04 -0.19 -0.47 117.35 125.59 2kk6 s TYR 56 Ca -0.06 -0.24 -0.04 0.00 -2.44 0.00 0.00 57.07 54.28 2kk6 s TYR 56 Cb -0.04 -3.83 0.01 0.00 0.35 0.00 0.00 41.96 38.45 2kk6 s TYR 56 CO 0.00 -1.21 0.11 0.45 -1.34 0.00 0.00 175.55 173.57 2kk6 s SER 57 N 2.76 -0.08 -1.49 4.32 0.15 -0.16 -2.71 113.70 116.49 2kk6 s SER 57 Ca 0.24 0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2kk6 s SER 57 Cb -0.15 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2kk6 s SER 57 CO 0.16 -0.10 0.00 0.47 1.20 0.00 0.00 173.24 174.97 2kk6 n ASP 58 N 2.70 -4.89 0.00 5.45 9.92 -1.26 -1.64 116.55 126.83 2kk6 n ASP 58 Ca -0.15 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.21 2kk6 n ASP 58 Cb 0.58 -3.96 0.00 0.00 -0.64 0.00 0.00 41.12 37.11 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kk6 n GLY 59 N -1.00 1.39 3.39 0.44 0.00 -1.26 -5.00 105.19 103.15 2kk6 n GLY 59 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2kk6 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kk6 s GLN 60 N -0.09 1.44 -0.62 1.61 -0.21 -0.65 -5.09 119.66 116.04 2kk6 s GLN 60 Ca 0.00 -1.54 -0.28 0.00 0.02 0.00 0.00 55.36 53.56 2kk6 s GLN 60 Cb 0.00 -1.58 0.03 0.00 1.00 0.00 0.00 33.01 32.47 2kk6 s GLN 60 CO 0.00 0.32 1.21 1.03 -2.12 0.00 0.00 175.29 175.73 2kk6 s ARG 61 N -2.97 3.42 -0.08 2.91 3.00 -1.26 -0.99 118.95 122.98 2kk6 s ARG 61 Ca 0.21 0.10 -0.12 0.00 0.00 0.00 0.00 55.73 55.92 2kk6 s ARG 61 Cb -0.06 -4.06 -0.05 0.00 0.00 0.00 0.00 34.95 30.78 2kk6 s ARG 61 CO 0.09 -1.81 0.30 1.03 0.00 0.00 0.00 175.30 174.91 2kk6 s ARG 62 N 5.15 3.85 -0.16 3.54 1.81 0.38 -4.94 118.95 128.57 2kk6 s ARG 62 Ca 0.40 0.16 0.01 0.00 -1.72 0.00 0.00 55.73 54.58 2kk6 s ARG 62 Cb -0.08 -3.26 0.03 0.00 -0.45 0.00 0.00 34.95 31.19 2kk6 s ARG 62 CO 0.22 0.61 -0.15 -1.01 -0.68 0.00 0.00 175.30 174.30 2kk6 s HIS 63 N -0.69 2.34 -0.25 -0.53 3.76 -1.26 -0.94 115.29 117.71 2kk6 s HIS 63 Ca 0.19 -1.37 -0.03 0.00 -0.15 0.00 0.00 55.06 53.70 2kk6 s HIS 63 Cb -0.14 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2kk6 s HIS 63 CO 0.08 -0.71 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.17 2kk6 s PHE 64 N 1.43 3.05 0.24 1.40 0.08 0.35 -4.95 117.98 119.58 2kk6 s PHE 64 Ca 0.04 -1.26 -0.30 0.00 0.12 0.00 0.00 56.93 55.53 2kk6 s PHE 64 Cb -0.13 -2.11 -0.09 0.00 -0.57 0.00 0.00 43.02 40.11 2kk6 s PHE 64 CO -0.11 -0.65 1.03 0.42 -0.10 0.00 0.00 175.22 175.82 2kk6 s ILE 65 N 1.41 3.82 -0.41 0.64 1.01 -1.26 -0.34 121.20 126.05 2kk6 s ILE 65 Ca 0.02 1.77 -0.24 0.00 0.00 0.00 0.00 60.65 62.20 2kk6 s ILE 65 Cb -0.16 -4.13 0.02 0.00 0.01 0.00 0.00 42.46 38.20 2kk6 s ILE 65 CO -0.03 0.40 0.85 -0.63 0.00 0.00 0.00 174.94 175.53 2kk6 s ILE 66 N -0.97 4.61 -0.20 2.92 1.01 -0.49 -4.72 121.20 123.36 2kk6 s ILE 66 Ca 0.44 0.78 -0.29 0.00 0.00 0.00 0.00 60.65 61.58 2kk6 s ILE 66 Cb -0.29 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.86 2kk6 s ILE 66 CO 0.36 -0.64 1.04 -1.10 0.00 0.00 0.00 174.94 174.61 2kk6 s GLN 67 N 3.39 4.29 -0.73 2.79 1.11 -0.08 -4.64 119.66 125.79 2kk6 s GLN 67 Ca 0.34 1.38 -0.23 0.00 0.01 0.00 0.00 55.36 56.86 2kk6 s GLN 67 Cb -0.12 -3.62 0.07 0.00 -1.01 0.00 0.00 33.01 28.33 2kk6 s GLN 67 CO 0.21 -0.56 1.07 -0.47 0.01 0.00 0.00 175.29 175.55 2kk6 s TYR 68 N 2.95 2.66 -0.06 0.91 5.04 -1.26 -2.33 117.35 125.26 2kk6 s TYR 68 Ca 0.45 -0.61 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2kk6 s TYR 68 Cb -0.16 -4.37 0.02 0.00 0.35 0.00 0.00 41.96 37.79 2kk6 s TYR 68 CO 0.09 -1.72 -0.10 0.08 -1.34 0.00 0.00 175.55 172.57 2kk6 s VAL 69 N 4.20 0.93 -1.55 3.14 1.01 -0.37 -4.73 120.40 123.02 2kk6 s VAL 69 Ca 0.27 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 2kk6 s VAL 69 Cb -0.13 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.39 2kk6 s VAL 69 CO 0.07 0.31 0.56 0.47 0.00 0.00 0.00 175.10 176.51 2kk6 n ASP 70 N 3.90 -5.93 -0.64 3.32 9.92 -1.26 -1.06 116.55 124.81 2kk6 n ASP 70 Ca -0.24 -0.27 -0.08 0.00 -0.53 0.00 0.00 54.79 53.67 2kk6 n ASP 70 Cb 0.51 -4.80 -0.04 0.00 -0.64 0.00 0.00 41.12 36.15 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2kk6 n ASN 71 N -2.47 -5.17 -4.56 -2.24 3.02 -1.26 -4.99 115.26 97.58 2kk6 n ASN 71 Ca -0.12 0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 2kk6 n ASN 71 Cb 0.62 -3.41 -0.11 0.00 -0.61 0.00 0.00 39.78 36.28 2kk6 n ASN 71 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kk6 s MET 72 N -2.50 2.30 -0.25 3.52 -1.94 -0.22 -4.69 119.30 115.51 2kk6 s MET 72 Ca 0.00 -0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 52.92 2kk6 s MET 72 Cb 0.00 -2.36 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 2kk6 s MET 72 CO 0.00 0.55 0.47 0.71 -0.01 0.00 0.00 175.02 176.74 2kk6 s TYR 73 N -1.07 3.28 0.15 -0.03 2.02 0.39 -1.24 117.35 120.85 2kk6 s TYR 73 Ca 0.18 0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 2kk6 s TYR 73 Cb -0.11 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 2kk6 s TYR 73 CO 0.10 -0.22 0.10 -0.98 -1.57 0.00 0.00 175.55 172.97 2kk6 s ARG 74 N 2.09 1.03 0.01 -0.62 1.70 -0.98 -1.95 118.95 120.22 2kk6 s ARG 74 Ca 0.20 -1.47 -0.00 0.00 -0.47 0.00 0.00 55.73 53.98 2kk6 s ARG 74 Cb -0.16 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.48 2kk6 s ARG 74 CO 0.09 -0.31 -0.01 1.19 -1.08 0.00 0.00 175.30 175.18 2kk6 n PHE 75 N -0.15 0.00 0.00 5.89 3.72 -1.26 -0.91 117.46 124.75 2kk6 n PHE 75 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2kk6 n PHE 75 Cb 0.64 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 2kk6 n PHE 75 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kk6 n GLU 76 N -2.74 0.00 0.00 -1.08 4.07 -1.26 -4.83 120.64 114.80 2kk6 n GLU 76 Ca -0.00 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 2kk6 n GLU 76 Cb 0.01 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kk6 n GLY 77 N 0.98 -0.10 3.83 8.31 0.00 -1.26 -5.10 105.19 111.85 2kk6 n GLY 77 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kk6 s THR 78 N -1.42 4.48 0.28 2.61 -1.32 -1.26 -4.98 115.64 114.02 2kk6 s THR 78 Ca 0.00 1.32 -0.11 0.00 -1.21 0.00 0.00 61.69 61.69 2kk6 s THR 78 Cb 0.00 -3.62 0.04 0.00 -1.51 0.00 0.00 72.50 67.41 2kk6 s THR 78 CO 0.00 -0.35 0.58 0.61 -2.21 0.00 0.00 174.62 173.25 2kk6 n GLY 79 N -0.74 1.23 3.28 6.08 0.00 -1.26 -4.12 105.19 109.66 2kk6 n GLY 79 Ca 0.06 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 2kk6 n GLY 79 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kk6 s PHE 80 N -3.98 1.54 0.37 1.61 0.40 -0.82 -4.90 117.98 112.18 2kk6 s PHE 80 Ca 0.12 -0.56 0.11 0.00 -0.60 0.00 0.00 56.93 56.00 2kk6 s PHE 80 Cb -0.04 -0.77 0.70 0.00 0.51 0.00 0.00 43.02 43.43 2kk6 s PHE 80 CO 0.08 0.22 1.83 0.77 0.70 0.00 0.00 175.22 178.83 2kk6 h SER 81 N 3.21 0.09 -3.88 1.36 0.02 -1.87 0.11 113.55 112.59 2kk6 h SER 81 Ca -0.40 -0.03 -0.69 0.00 -0.84 0.00 0.00 61.79 59.84 2kk6 h SER 81 Cb 1.20 -0.02 -0.21 0.00 0.14 0.00 0.00 62.40 63.50 2kk6 h SER 81 CO 0.54 0.41 -0.74 0.20 -1.14 0.00 0.00 176.83 176.10 2kk6 s ASN 82 N -6.92 4.26 0.09 3.07 0.02 -1.26 -4.63 114.94 109.57 2kk6 s ASN 82 Ca -0.04 -0.15 -0.22 0.00 -1.02 0.00 0.00 52.86 51.44 2kk6 s ASN 82 Cb 0.14 -0.95 -0.12 0.00 0.02 0.00 0.00 41.25 40.34 2kk6 s ASN 82 CO 0.73 0.34 1.68 0.40 0.02 0.00 0.00 177.10 180.27 2kk6 h ILE 83 N 4.24 1.09 -0.74 0.60 2.04 -1.94 -0.49 117.51 122.30 2kk6 h ILE 83 Ca -0.47 -0.24 0.10 0.00 1.00 0.00 0.00 64.86 65.25 2kk6 h ILE 83 Cb 1.16 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 38.25 2kk6 h ILE 83 CO 0.51 0.08 0.36 1.55 0.00 0.00 0.00 178.15 180.65 2kk6 h PRO 84 N 0.05 0.58 -0.60 2.37 0.13 -1.92 -0.85 132.00 131.76 2kk6 h PRO 84 Ca 0.03 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 2kk6 h PRO 84 Cb 0.08 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.06 2kk6 h PRO 84 CO -0.00 0.38 0.05 1.96 -0.23 0.00 0.00 178.00 180.16 2kk6 h GLN 85 N 0.60 1.02 0.41 0.86 1.08 -1.88 0.54 115.11 117.74 2kk6 h GLN 85 Ca 0.37 -0.30 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 2kk6 h GLN 85 Cb 0.43 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2kk6 h GLN 85 CO -0.29 0.98 -0.37 1.25 -0.95 0.00 0.00 178.83 179.45 2kk6 h LEU 86 N 0.92 -0.99 0.09 1.46 5.85 -0.37 -0.96 115.31 121.31 2kk6 h LEU 86 Ca 0.18 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 2kk6 h LEU 86 Cb 0.48 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2kk6 h LEU 86 CO 0.02 -0.53 -0.04 0.40 -0.34 0.00 0.00 178.44 177.95 2kk6 h ILE 87 N -0.79 1.11 -0.76 4.05 1.08 -1.17 -2.80 117.51 118.23 2kk6 h ILE 87 Ca -0.04 -0.78 0.08 0.00 -0.39 0.00 0.00 64.86 63.73 2kk6 h ILE 87 Cb 0.70 1.60 -0.06 0.00 -3.07 0.00 0.00 36.82 35.98 2kk6 h ILE 87 CO -0.04 0.19 0.43 -0.78 -0.69 0.00 0.00 178.15 177.26 2kk6 h ASP 88 N -0.49 0.62 0.21 1.72 3.58 -0.95 0.11 116.42 121.23 2kk6 h ASP 88 Ca -0.01 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2kk6 h ASP 88 Cb 0.41 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2kk6 h ASP 88 CO 0.02 0.38 -0.10 -0.74 -2.88 0.00 0.00 179.24 175.92 2kk6 h HIS 89 N 0.75 -0.26 -0.54 0.28 2.76 -1.18 0.46 115.15 117.43 2kk6 h HIS 89 Ca 0.35 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2kk6 h HIS 89 Cb 0.27 0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2kk6 h HIS 89 CO -0.07 -0.16 0.31 0.45 -1.30 0.00 0.00 177.93 177.16 2kk6 h HIS 90 N -0.28 0.73 -0.11 5.26 3.86 -1.19 -1.10 115.15 122.32 2kk6 h HIS 90 Ca -0.03 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2kk6 h HIS 90 Cb 0.22 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2kk6 h HIS 90 CO -0.06 0.53 0.06 -0.92 0.86 0.00 0.00 177.93 178.40 2kk6 h TYR 91 N 0.73 0.14 -0.12 2.45 3.20 -0.58 0.57 116.97 123.36 2kk6 h TYR 91 Ca 0.19 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2kk6 h TYR 91 Cb 0.03 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 2kk6 h TYR 91 CO -0.02 0.15 -0.07 1.79 -1.64 0.00 0.00 178.16 178.37 2kk6 h THR 92 N 0.09 1.33 0.00 1.81 1.35 -0.88 -2.74 112.91 113.88 2kk6 h THR 92 Ca 0.04 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2kk6 h THR 92 Cb 0.06 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2kk6 h THR 92 CO -0.01 0.33 0.00 0.35 -0.25 0.00 0.00 175.52 175.94 2kk6 n THR 93 N -4.68 0.85 -2.62 6.82 -2.24 -0.42 -4.89 114.28 107.10 2kk6 n THR 93 Ca -0.06 0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 2kk6 n THR 93 Cb 0.30 -1.05 0.01 0.00 -2.10 0.00 0.00 70.33 67.48 2kk6 n THR 93 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kk6 n LYS 94 N -1.97 -2.80 -3.30 -0.78 3.00 0.18 -4.99 118.16 107.50 2kk6 n LYS 94 Ca 0.03 0.83 -0.30 0.00 -0.00 0.00 0.00 58.31 58.86 2kk6 n LYS 94 Cb 0.22 -5.37 -0.04 0.00 0.00 0.00 0.00 35.03 29.84 2kk6 n LYS 94 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kk6 s GLN 95 N -5.21 3.73 0.95 1.64 -1.52 -0.07 -4.84 119.66 114.35 2kk6 s GLN 95 Ca 0.13 0.20 -0.11 0.00 -1.95 0.00 0.00 55.36 53.62 2kk6 s GLN 95 Cb -0.06 -2.61 0.16 0.00 -0.22 0.00 0.00 33.01 30.29 2kk6 s GLN 95 CO 0.16 0.22 1.09 0.14 -0.25 0.00 0.00 175.29 176.65 2kk6 s VAL 96 N -2.00 2.44 -0.06 1.09 -7.23 -1.26 -4.44 120.40 108.94 2kk6 s VAL 96 Ca 0.47 0.14 -0.11 0.00 -1.81 0.00 0.00 61.98 60.66 2kk6 s VAL 96 Cb -0.11 -2.44 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 2kk6 s VAL 96 CO 0.26 -0.19 0.47 0.40 -0.31 0.00 0.00 175.10 175.73 2kk6 h ILE 97 N -1.82 0.06 -3.84 -0.62 1.08 -1.44 -3.48 117.51 107.46 2kk6 h ILE 97 Ca -0.50 -0.75 -0.36 0.00 -0.39 0.00 0.00 64.86 62.85 2kk6 h ILE 97 Cb 1.29 0.11 -0.20 0.00 -3.07 0.00 0.00 36.82 34.95 2kk6 h ILE 97 CO 0.51 0.02 -0.75 0.42 -0.69 0.00 0.00 178.15 177.65 2kk6 s THR 98 N -2.84 0.98 0.17 -0.27 -4.23 -1.26 -4.25 115.64 103.94 2kk6 s THR 98 Ca -0.06 -1.42 0.24 0.00 -1.18 0.00 0.00 61.69 59.27 2kk6 s THR 98 Cb 0.01 -1.14 0.23 0.00 1.34 0.00 0.00 72.50 72.94 2kk6 s THR 98 CO 0.19 -0.38 1.84 0.11 -0.54 0.00 0.00 174.62 175.84 2kk6 h LYS 99 N 4.00 0.00 0.00 3.99 1.79 -1.99 0.81 116.57 125.17 2kk6 h LYS 99 Ca -0.39 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.00 2kk6 h LYS 99 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 2kk6 h LYS 99 CO 0.46 0.22 -0.38 -0.22 -1.08 0.00 0.00 179.45 178.45 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 3.64 -2.01 -3.36 116.57 117.98 2kk6 h LYS 100 Ca -0.00 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.95 2kk6 h LYS 100 Cb 0.72 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 2kk6 h LYS 100 CO 0.03 0.38 -2.47 -1.13 -2.27 0.00 0.00 179.45 173.99 2kk6 n SER 101 N -3.66 1.93 -0.48 4.20 3.41 -0.86 -5.02 113.62 113.14 2kk6 n SER 101 Ca -0.01 0.19 -0.06 0.00 -0.26 0.00 0.00 58.87 58.74 2kk6 n SER 101 Cb 0.48 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kk6 n GLY 102 N 1.61 0.66 3.72 5.00 0.00 0.22 -5.01 105.19 111.39 2kk6 n GLY 102 Ca -0.50 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2kk6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk6 s VAL 103 N -2.23 4.90 0.03 1.61 1.01 -1.26 -4.92 120.40 119.55 2kk6 s VAL 103 Ca 0.00 1.67 0.02 0.00 0.00 0.00 0.00 61.98 63.67 2kk6 s VAL 103 Cb 0.00 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2kk6 s VAL 103 CO 0.00 0.26 0.03 -0.69 0.00 0.00 0.00 175.10 174.70 2kk6 s VAL 104 N 0.60 4.33 -0.36 2.92 1.01 -1.26 -1.03 120.40 126.60 2kk6 s VAL 104 Ca 0.42 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2kk6 s VAL 104 Cb -0.19 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2kk6 s VAL 104 CO 0.22 0.27 0.48 -0.76 0.00 0.00 0.00 175.10 175.31 2kk6 s LEU 105 N -1.91 4.42 0.06 3.92 1.43 -1.26 -4.78 118.68 120.56 2kk6 s LEU 105 Ca 0.23 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2kk6 s LEU 105 Cb -0.12 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2kk6 s LEU 105 CO 0.15 -0.47 0.07 -1.48 0.23 0.00 0.00 176.35 174.85 2kk6 s LEU 106 N 2.31 1.95 -0.26 1.79 2.34 -1.25 -4.78 118.68 120.78 2kk6 s LEU 106 Ca 0.17 -0.75 -0.23 0.00 0.06 0.00 0.00 54.13 53.38 2kk6 s LEU 106 Cb -0.16 0.58 0.03 0.00 -0.56 0.00 0.00 46.19 46.08 2kk6 s LEU 106 CO 0.13 -0.61 0.38 -0.46 -1.06 0.00 0.00 176.35 174.73 2kk6 n ASN 107 N 0.26 -5.73 -4.77 1.48 6.94 -1.26 -4.02 115.26 108.16 2kk6 n ASN 107 Ca -0.16 0.06 -0.36 0.00 -0.02 0.00 0.00 54.58 54.10 2kk6 n ASN 107 Cb 0.61 -1.53 -0.01 0.00 -2.36 0.00 0.00 39.78 36.49 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 2kk6 s PRO 108 N -1.79 3.64 -0.32 -0.53 0.02 -1.26 -4.19 135.00 130.56 2kk6 s PRO 108 Ca 0.22 1.73 -0.15 0.00 0.02 0.00 0.00 61.00 62.82 2kk6 s PRO 108 Cb -0.02 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 32.19 2kk6 s PRO 108 CO 0.50 -0.64 0.37 0.42 -0.33 0.00 0.00 177.00 177.32 2kk6 s ILE 109 N -1.61 5.17 1.07 2.83 -1.09 -1.09 -4.93 121.20 121.55 2kk6 s ILE 109 Ca 0.66 0.18 -0.18 0.00 -2.23 0.00 0.00 60.65 59.08 2kk6 s ILE 109 Cb -0.27 -3.79 0.26 0.00 -1.58 0.00 0.00 42.46 37.07 2kk6 s ILE 109 CO 0.32 -0.03 1.25 -0.81 -1.23 0.00 0.00 174.94 174.44 2kk6 n PRO 110 N 5.38 -1.99 -4.28 2.79 -0.04 -1.26 -3.94 135.00 131.67 2kk6 n PRO 110 Ca -0.09 -1.95 -0.15 0.00 -0.04 0.00 0.00 63.50 61.27 2kk6 n PRO 110 Cb 0.50 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2kk6 n PRO 110 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2kk6 s LYS 111 N -5.76 1.20 0.36 0.54 0.00 -1.16 -4.91 119.74 110.01 2kk6 s LYS 111 Ca 0.74 -1.58 -0.13 0.00 0.00 0.00 0.00 55.97 55.00 2kk6 s LYS 111 Cb -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 37.83 37.37 2kk6 s LYS 111 CO 0.54 -0.09 0.69 0.34 0.00 0.00 0.00 175.35 176.83 2kk6 s ASP 112 N -3.23 0.20 0.00 0.03 -1.08 -1.26 -5.06 116.67 106.27 2kk6 s ASP 112 Ca 0.25 -1.17 0.12 0.00 -0.52 0.00 0.00 52.55 51.23 2kk6 s ASP 112 Cb 0.05 0.78 0.05 0.00 -1.46 0.00 0.00 42.92 42.35 2kk6 s ASP 112 CO 0.05 -1.54 0.80 0.29 0.52 0.00 0.00 175.17 175.30 2kk6 n LYS 113 N -0.53 1.33 -2.58 4.34 4.76 -1.26 -4.95 118.16 119.28 2kk6 n LYS 113 Ca -0.05 -0.97 -0.43 0.00 -2.87 0.00 0.00 58.31 53.99 2kk6 n LYS 113 Cb 0.60 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.58 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kk6 s LYS 114 N -1.28 3.86 -1.50 1.97 1.02 -1.26 -4.94 119.74 117.62 2kk6 s LYS 114 Ca 0.12 0.86 -0.09 0.00 0.02 0.00 0.00 55.97 56.88 2kk6 s LYS 114 Cb 0.10 -3.85 -0.10 0.00 -0.52 0.00 0.00 37.83 33.47 2kk6 s LYS 114 CO 0.23 -1.18 2.94 0.91 -0.92 0.00 0.00 175.35 177.32 2kk6 n TRP 115 N 7.52 2.23 -1.05 3.18 7.02 -1.26 -5.25 117.44 129.83 2kk6 n TRP 115 Ca 0.13 -2.94 0.00 0.00 -1.02 0.00 0.00 57.50 53.67 2kk6 n TRP 115 Cb 0.48 -2.39 0.00 0.00 -2.42 0.00 0.00 31.31 26.97 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11