#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 1.03 -0.56 3.03 0.00 -1.26 -4.97 107.32 104.59 2kk6 s GLY 2 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 44.72 44.99 2kk6 s GLY 2 CO 0.00 3.18 0.68 -1.58 0.00 0.00 0.00 173.10 175.39 2kk6 s HIS 3 N 5.99 3.00 0.12 1.90 5.65 -1.26 -5.06 115.29 125.64 2kk6 s HIS 3 Ca 0.78 -0.80 -0.24 0.00 0.25 0.00 0.00 55.06 55.05 2kk6 s HIS 3 Cb -0.26 -3.86 -0.07 0.00 -1.18 0.00 0.00 32.58 27.22 2kk6 s HIS 3 CO 0.32 -1.22 0.72 -1.01 -0.65 0.00 0.00 174.74 172.90 2kk6 s HIS 4 N 2.71 3.85 0.61 3.88 4.02 -1.26 -5.07 115.29 124.03 2kk6 s HIS 4 Ca 0.13 1.51 -0.13 0.00 1.02 0.00 0.00 55.06 57.59 2kk6 s HIS 4 Cb -0.22 -2.71 -0.04 0.00 -1.02 0.00 0.00 32.58 28.60 2kk6 s HIS 4 CO 0.08 0.49 1.03 -1.01 1.02 0.00 0.00 174.74 176.36 2kk6 s HIS 5 N -0.94 3.34 -0.75 1.40 0.09 -1.26 -5.00 115.29 112.18 2kk6 s HIS 5 Ca 0.34 1.40 -0.19 0.00 -0.00 0.00 0.00 55.06 56.62 2kk6 s HIS 5 Cb -0.22 -2.83 0.12 0.00 -0.00 0.00 0.00 32.58 29.66 2kk6 s HIS 5 CO 0.24 -0.83 0.90 -1.01 -0.00 0.00 0.00 174.74 174.04 2kk6 s HIS 6 N -2.89 3.07 -0.30 1.40 4.02 -1.26 -4.91 115.29 114.43 2kk6 s HIS 6 Ca 0.58 -1.15 -0.06 0.00 1.02 0.00 0.00 55.06 55.45 2kk6 s HIS 6 Cb -0.12 -4.13 0.19 0.00 -1.02 0.00 0.00 32.58 27.49 2kk6 s HIS 6 CO 0.46 -1.39 0.87 -1.58 1.02 0.00 0.00 174.74 174.12 2kk6 s HIS 7 N 2.63 -0.99 0.16 1.40 2.46 -1.26 -5.16 115.29 114.53 2kk6 s HIS 7 Ca 0.21 0.77 -0.30 0.00 0.47 0.00 0.00 55.06 56.22 2kk6 s HIS 7 Cb -0.15 0.24 -0.07 0.00 -0.13 0.00 0.00 32.58 32.48 2kk6 s HIS 7 CO -0.00 -0.56 1.07 -1.58 -2.47 0.00 0.00 174.74 171.19 2kk6 s HIS 8 N 2.91 3.65 0.00 3.88 5.04 -1.26 -5.00 115.29 124.51 2kk6 s HIS 8 Ca 0.14 1.64 0.00 0.00 -1.54 0.00 0.00 55.06 55.31 2kk6 s HIS 8 Cb -0.08 -3.22 0.00 0.00 0.04 0.00 0.00 32.58 29.32 2kk6 s HIS 8 CO -0.20 -0.41 0.99 0.45 -2.34 0.00 0.00 174.74 173.23 2kk6 n SER 9 N 2.50 0.00 -4.75 9.88 2.88 -1.26 -4.60 113.62 118.28 2kk6 n SER 9 Ca 0.03 0.99 -0.41 0.00 -1.33 0.00 0.00 58.87 58.15 2kk6 n SER 9 Cb 0.47 -0.49 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 2kk6 n SER 9 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2kk6 s HIS 10 N -2.97 2.99 0.00 0.66 5.65 -1.26 -5.02 115.29 115.34 2kk6 s HIS 10 Ca 0.00 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.35 2kk6 s HIS 10 Cb 0.00 -3.83 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 2kk6 s HIS 10 CO 0.00 -2.68 0.00 -1.33 -0.65 0.00 0.00 174.74 170.08 2kk6 n MET 11 N 2.20 0.12 -3.97 2.88 2.00 -1.26 -5.12 117.12 113.96 2kk6 n MET 11 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.67 2kk6 n MET 11 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.51 2kk6 n MET 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2kk6 s LYS 12 N -2.81 0.34 1.30 0.03 -0.14 -1.26 -5.17 119.74 112.02 2kk6 s LYS 12 Ca 0.00 -0.60 -0.20 0.00 -1.36 0.00 0.00 55.97 53.80 2kk6 s LYS 12 Cb 0.00 0.12 0.32 0.00 -1.68 0.00 0.00 37.83 36.59 2kk6 s LYS 12 CO 0.00 -0.06 1.02 -1.25 -0.76 0.00 0.00 175.35 174.31 2kk6 s PRO 13 N -1.51 -1.98 0.13 -1.68 0.04 -1.26 -4.83 135.00 123.90 2kk6 s PRO 13 Ca -0.15 0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.79 2kk6 s PRO 13 Cb -0.09 -1.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.93 2kk6 s PRO 13 CO -0.01 -4.24 1.71 1.25 0.04 0.00 0.00 177.00 175.75 2kk6 h LEU 14 N -2.96 0.44 -2.18 -3.56 5.85 -1.99 -2.17 115.31 108.74 2kk6 h LEU 14 Ca -0.45 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2kk6 h LEU 14 Cb 1.32 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2kk6 h LEU 14 CO 0.33 0.43 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 2kk6 h ALA 15 N 1.02 1.00 -0.01 1.25 0.00 -1.96 -1.84 119.26 118.73 2kk6 h ALA 15 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kk6 h ALA 15 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kk6 h ALA 15 CO -0.02 0.00 -0.26 0.39 0.00 0.00 0.00 179.25 179.36 2kk6 n GLU 16 N -2.99 1.01 -2.79 0.00 -0.58 -0.83 -4.93 120.64 109.53 2kk6 n GLU 16 Ca -0.01 -0.65 -0.41 0.00 -0.42 0.00 0.00 57.16 55.67 2kk6 n GLU 16 Cb 0.17 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.44 4.67 0.22 3.49 -1.52 -0.69 -4.93 119.66 118.46 2kk6 s GLN 17 Ca 0.25 1.37 -0.04 0.00 -1.95 0.00 0.00 55.36 54.99 2kk6 s GLN 17 Cb 0.19 -3.36 0.22 0.00 -0.22 0.00 0.00 33.01 29.84 2kk6 s GLN 17 CO 0.50 0.28 1.65 0.38 -0.25 0.00 0.00 175.29 177.85 2kk6 h ASP 18 N 5.38 0.76 0.13 5.90 2.03 -1.92 -2.54 116.42 126.16 2kk6 h ASP 18 Ca -0.43 -0.26 0.00 0.00 -0.73 0.00 0.00 57.03 55.60 2kk6 h ASP 18 Cb 1.21 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 2kk6 h ASP 18 CO 0.71 0.95 0.00 -2.67 -1.03 0.00 0.00 179.24 177.20 2kk6 n TRP 19 N -4.12 0.00 -3.38 4.15 4.27 -1.25 -0.54 117.44 116.57 2kk6 n TRP 19 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 2kk6 n TRP 19 Cb 0.42 -0.08 -0.09 0.00 -1.36 0.00 0.00 31.31 30.20 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 -2.16 3.20 -1.56 -2.67 5.04 -0.96 -1.00 117.35 117.24 2kk6 s TYR 20 Ca 0.35 -0.31 0.18 0.00 -2.44 0.00 0.00 57.07 54.85 2kk6 s TYR 20 Cb 0.18 -2.76 0.53 0.00 0.35 0.00 0.00 41.96 40.25 2kk6 s TYR 20 CO 0.32 -0.59 1.44 0.72 -1.34 0.00 0.00 175.55 176.10 2kk6 n HIS 21 N 5.44 0.81 -3.89 4.97 8.25 -1.07 -4.72 115.22 125.00 2kk6 n HIS 21 Ca -0.09 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2kk6 n HIS 21 Cb 0.48 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 1.22 -1.03 3.45 -1.41 0.00 -1.26 -4.52 105.19 101.63 2kk6 n GLY 22 Ca 0.20 -1.25 -0.44 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.03 4.02 0.11 4.61 0.00 -1.26 -1.06 121.76 127.16 2kk6 s ALA 23 Ca 0.00 -3.36 0.05 0.00 0.00 0.00 0.00 51.96 48.65 2kk6 s ALA 23 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 2kk6 s ALA 23 CO 0.00 -2.72 0.03 0.96 0.00 0.00 0.00 175.76 174.03 2kk6 s ILE 24 N 1.33 4.14 1.20 0.00 -4.36 -1.24 -4.66 121.20 117.61 2kk6 s ILE 24 Ca 0.40 -1.00 -0.18 0.00 -0.26 0.00 0.00 60.65 59.61 2kk6 s ILE 24 Cb -0.04 -3.00 0.28 0.00 1.25 0.00 0.00 42.46 40.95 2kk6 s ILE 24 CO -0.02 0.07 1.07 -2.84 0.24 0.00 0.00 174.94 173.46 2kk6 s PRO 25 N -2.48 -1.17 0.19 0.37 0.02 -1.26 -4.76 135.00 125.92 2kk6 s PRO 25 Ca 0.27 0.17 -0.11 0.00 0.02 0.00 0.00 61.00 61.35 2kk6 s PRO 25 Cb -0.11 -1.58 0.17 0.00 0.02 0.00 0.00 34.50 33.00 2kk6 s PRO 25 CO 0.20 -3.72 1.81 -0.09 -0.33 0.00 0.00 177.00 174.86 2kk6 h ARG 26 N -2.60 0.61 0.44 5.54 2.43 -1.99 -2.51 114.38 116.31 2kk6 h ARG 26 Ca -0.49 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 2kk6 h ARG 26 Cb 1.32 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2kk6 h ARG 26 CO 0.40 0.40 -0.41 0.82 -1.51 0.00 0.00 179.97 179.67 2kk6 h ILE 27 N 0.63 0.17 -0.54 1.20 2.04 -1.99 -1.00 117.51 118.02 2kk6 h ILE 27 Ca 0.25 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.24 2kk6 h ILE 27 Cb 0.12 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2kk6 h ILE 27 CO -0.15 0.00 0.38 -0.33 0.00 0.00 0.00 178.15 178.05 2kk6 h GLU 28 N -0.87 0.16 0.01 2.37 4.39 -1.89 0.16 114.58 118.92 2kk6 h GLU 28 Ca -0.04 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.38 2kk6 h GLU 28 Cb 0.76 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.39 2kk6 h GLU 28 CO -0.05 0.11 -1.05 0.00 -1.16 0.00 0.00 179.01 176.86 2kk6 h ALA 29 N 1.73 0.15 0.00 3.43 0.00 -1.00 -3.35 119.26 120.22 2kk6 h ALA 29 Ca 0.26 -0.71 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 2kk6 h ALA 29 Cb 0.79 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2kk6 h ALA 29 CO -0.04 0.71 -1.42 -0.56 0.00 0.00 0.00 179.25 177.94 2kk6 h GLN 30 N 0.36 0.00 -0.92 0.00 3.07 -0.24 -3.38 115.11 114.02 2kk6 h GLN 30 Ca -0.13 0.00 0.11 0.00 0.09 0.00 0.00 58.65 58.72 2kk6 h GLN 30 Cb 1.70 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 29.19 2kk6 h GLN 30 CO 0.20 0.57 0.59 0.93 0.09 0.00 0.00 178.83 181.21 2kk6 h GLU 31 N 0.00 0.84 0.00 0.06 4.39 -0.85 -1.67 114.58 117.35 2kk6 h GLU 31 Ca -0.18 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.30 2kk6 h GLU 31 Cb 1.84 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 2kk6 h GLU 31 CO 0.08 0.56 -0.80 1.37 -1.16 0.00 0.00 179.01 179.06 2kk6 h LEU 32 N 0.87 0.00 -8.95 1.33 8.10 -1.73 -3.44 115.31 111.49 2kk6 h LEU 32 Ca 0.44 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 57.85 2kk6 h LEU 32 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.70 2kk6 h LEU 32 CO -0.20 0.80 1.38 -0.76 -4.11 0.00 0.00 178.44 175.55 2kk6 s LEU 33 N -6.93 3.51 0.00 0.17 1.43 -0.63 -4.78 118.68 111.46 2kk6 s LEU 33 Ca 0.01 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 2kk6 s LEU 33 Cb 0.10 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2kk6 s LEU 33 CO 0.79 -1.80 0.00 2.29 0.23 0.00 0.00 176.35 177.86 2kk6 n LYS 34 N 8.54 0.36 -4.41 1.70 2.85 -1.26 -4.99 118.16 120.95 2kk6 n LYS 34 Ca 0.26 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.26 2kk6 n LYS 34 Cb 0.46 -0.82 -0.12 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 -1.65 1.49 -0.29 -1.58 -2.85 -1.26 -5.07 119.74 108.53 2kk6 s LYS 35 Ca 0.00 -1.52 -0.30 0.00 -1.00 0.00 0.00 55.97 53.16 2kk6 s LYS 35 Cb 0.00 -1.77 -0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2kk6 s LYS 35 CO 0.00 0.38 2.25 0.94 0.10 0.00 0.00 175.35 179.02 2kk6 n GLN 36 N 0.24 1.63 0.00 1.78 7.27 -1.26 -2.38 117.38 124.67 2kk6 n GLN 36 Ca -0.12 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.36 2kk6 n GLN 36 Cb 0.56 -3.06 0.00 0.00 2.41 0.00 0.00 30.24 30.15 2kk6 n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kk6 n GLY 37 N 5.99 3.70 3.67 1.69 0.00 -0.25 -5.01 105.19 114.98 2kk6 n GLY 37 Ca 0.34 -0.64 -0.53 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 2.47 -3.92 1.61 8.00 -1.00 -3.85 116.55 119.85 2kk6 n ASP 38 Ca 0.00 1.07 -0.10 0.00 0.71 0.00 0.00 54.79 56.47 2kk6 n ASP 38 Cb 0.00 -1.23 -0.10 0.00 -0.02 0.00 0.00 41.12 39.77 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 2.47 0.16 0.02 1.24 -0.71 -1.26 -0.68 117.98 119.22 2kk6 s PHE 39 Ca 0.91 -0.38 -0.15 0.00 -1.04 0.00 0.00 56.93 56.26 2kk6 s PHE 39 Cb -0.92 -0.13 0.03 0.00 -1.21 0.00 0.00 43.02 40.79 2kk6 s PHE 39 CO 0.54 -0.29 0.33 -0.48 -1.34 0.00 0.00 175.22 173.99 2kk6 s LEU 40 N -1.67 0.75 -0.19 -1.99 2.34 0.02 -3.26 118.68 114.67 2kk6 s LEU 40 Ca -0.12 -0.02 -0.06 0.00 0.06 0.00 0.00 54.13 54.00 2kk6 s LEU 40 Cb -0.06 1.41 -0.03 0.00 -0.56 0.00 0.00 46.19 46.95 2kk6 s LEU 40 CO -0.01 -0.55 0.02 -0.69 -1.06 0.00 0.00 176.35 174.06 2kk6 s VAL 41 N -1.99 4.23 0.32 1.48 1.01 -0.17 -0.98 120.40 124.30 2kk6 s VAL 41 Ca -0.09 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2kk6 s VAL 41 Cb -0.03 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.38 2kk6 s VAL 41 CO 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 2kk6 s ARG 42 N 0.80 1.71 0.01 2.72 1.70 -0.54 -2.61 118.95 122.74 2kk6 s ARG 42 Ca 0.01 -1.87 0.02 0.00 -0.47 0.00 0.00 55.73 53.42 2kk6 s ARG 42 Cb -0.14 -1.51 -0.04 0.00 -0.57 0.00 0.00 34.95 32.70 2kk6 s ARG 42 CO 0.02 0.11 -0.02 -2.00 -1.08 0.00 0.00 175.30 172.34 2kk6 s GLU 43 N -3.65 2.69 -0.16 3.89 2.12 -0.22 -0.12 118.70 123.25 2kk6 s GLU 43 Ca 0.31 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 2kk6 s GLU 43 Cb 0.03 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.77 2kk6 s GLU 43 CO 0.15 0.61 1.69 -1.12 -0.54 0.00 0.00 175.26 176.04 2kk6 s SER 44 N -1.63 6.38 0.52 -1.70 0.01 0.13 -3.63 113.70 113.78 2kk6 s SER 44 Ca 0.20 1.85 0.22 0.00 1.31 0.00 0.00 55.95 59.53 2kk6 s SER 44 Cb -0.11 -2.53 1.33 0.00 0.21 0.00 0.00 66.02 64.92 2kk6 s SER 44 CO 0.11 -1.22 2.03 -0.74 0.41 0.00 0.00 173.24 173.83 2kk6 h HIS 45 N 10.75 0.04 -0.02 2.43 2.76 -1.86 0.07 115.15 129.33 2kk6 h HIS 45 Ca -0.36 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 2kk6 h HIS 45 Cb 1.17 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2kk6 h HIS 45 CO 0.91 0.02 -0.21 0.41 -1.30 0.00 0.00 177.93 177.75 2kk6 n GLY 46 N -1.61 0.46 2.74 5.26 0.00 -1.26 -4.81 105.19 105.96 2kk6 n GLY 46 Ca 0.07 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.11 1.17 0.08 1.61 2.47 0.01 -5.11 119.74 117.86 2kk6 s LYS 47 Ca 0.22 -1.79 -0.31 0.00 -1.56 0.00 0.00 55.97 52.53 2kk6 s LYS 47 Cb 0.18 -2.32 -0.08 0.00 -1.46 0.00 0.00 37.83 34.15 2kk6 s LYS 47 CO 0.40 -1.11 1.64 -1.25 0.16 0.00 0.00 175.35 175.20 2kk6 s PRO 48 N 0.67 4.20 0.00 4.03 0.04 -1.26 -2.37 135.00 140.31 2kk6 s PRO 48 Ca 0.15 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2kk6 s PRO 48 Cb -0.23 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2kk6 s PRO 48 CO -0.06 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2kk6 n GLY 49 N 3.97 0.67 3.32 0.56 0.00 -1.26 -5.04 105.19 107.41 2kk6 n GLY 49 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.74 2.78 -0.19 1.61 2.12 -1.00 -5.00 118.70 118.29 2kk6 s GLU 50 Ca 0.00 -1.42 -0.08 0.00 0.36 0.00 0.00 54.97 53.82 2kk6 s GLU 50 Cb 0.00 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2kk6 s GLU 50 CO 0.00 -1.00 0.09 0.71 -0.54 0.00 0.00 175.26 174.52 2kk6 s TYR 51 N 1.52 3.32 -0.17 5.30 1.51 -1.26 -0.69 117.35 126.88 2kk6 s TYR 51 Ca 0.04 0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 56.26 2kk6 s TYR 51 Cb -0.24 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2kk6 s TYR 51 CO 0.04 0.23 -0.08 0.08 -1.11 0.00 0.00 175.55 174.71 2kk6 s VAL 52 N 0.32 3.31 0.06 0.71 1.01 0.83 -1.07 120.40 125.57 2kk6 s VAL 52 Ca 0.05 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 2kk6 s VAL 52 Cb -0.12 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 2kk6 s VAL 52 CO -0.01 0.48 0.67 -0.22 0.00 0.00 0.00 175.10 176.02 2kk6 s LEU 53 N 0.85 4.48 -0.08 3.92 2.96 0.66 -1.47 118.68 130.00 2kk6 s LEU 53 Ca -0.02 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2kk6 s LEU 53 Cb -0.15 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.49 2kk6 s LEU 53 CO 0.01 0.13 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.64 2kk6 s SER 54 N -0.51 1.84 -0.03 3.68 0.01 -0.15 -0.39 113.70 118.15 2kk6 s SER 54 Ca 0.33 -0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.30 2kk6 s SER 54 Cb -0.20 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.26 2kk6 s SER 54 CO 0.21 -0.04 0.08 0.54 0.41 0.00 0.00 173.24 174.43 2kk6 s VAL 55 N 1.14 -0.01 -0.48 3.43 0.11 -0.42 -0.80 120.40 123.37 2kk6 s VAL 55 Ca -0.06 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.75 2kk6 s VAL 55 Cb -0.14 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2kk6 s VAL 55 CO -0.02 0.02 1.11 -0.47 -3.33 0.00 0.00 175.10 172.41 2kk6 s TYR 56 N 0.28 2.82 -0.06 1.54 6.14 0.15 0.28 117.35 128.50 2kk6 s TYR 56 Ca -0.02 0.64 -0.08 0.00 0.64 0.00 0.00 57.07 58.25 2kk6 s TYR 56 Cb -0.03 -4.37 0.02 0.00 0.42 0.00 0.00 41.96 38.00 2kk6 s TYR 56 CO -0.01 -1.26 0.22 0.45 0.64 0.00 0.00 175.55 175.59 2kk6 s SER 57 N 2.45 -0.18 -0.93 4.32 0.15 0.50 -1.09 113.70 118.92 2kk6 s SER 57 Ca 0.46 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2kk6 s SER 57 Cb -0.08 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2kk6 s SER 57 CO 0.31 -0.17 0.00 0.47 1.20 0.00 0.00 173.24 175.05 2kk6 n ASP 58 N 2.52 -4.55 0.00 5.45 8.00 -1.26 -1.44 116.55 125.27 2kk6 n ASP 58 Ca -0.15 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2kk6 n ASP 58 Cb 0.58 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kk6 n GLY 59 N -1.25 1.57 3.75 0.44 0.00 -1.26 -5.04 105.19 103.40 2kk6 n GLY 59 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.45 2.22 -0.53 1.61 -0.21 -0.52 -5.10 119.66 116.69 2kk6 s GLN 60 Ca 0.00 -1.90 -0.19 0.00 0.02 0.00 0.00 55.36 53.29 2kk6 s GLN 60 Cb 0.00 -1.96 0.07 0.00 1.00 0.00 0.00 33.01 32.12 2kk6 s GLN 60 CO 0.00 -0.17 0.65 1.03 -2.12 0.00 0.00 175.29 174.68 2kk6 s ARG 61 N -3.93 3.11 0.44 2.91 3.00 -1.26 -0.37 118.95 122.84 2kk6 s ARG 61 Ca 0.38 -0.99 -0.22 0.00 0.00 0.00 0.00 55.73 54.91 2kk6 s ARG 61 Cb 0.03 -4.14 -0.09 0.00 0.00 0.00 0.00 34.95 30.75 2kk6 s ARG 61 CO 0.21 -1.31 1.02 1.03 0.00 0.00 0.00 175.30 176.25 2kk6 s ARG 62 N 2.68 4.05 -0.08 3.54 1.81 0.14 -4.89 118.95 126.20 2kk6 s ARG 62 Ca 0.14 1.35 -0.02 0.00 -1.72 0.00 0.00 55.73 55.48 2kk6 s ARG 62 Cb -0.20 -2.28 0.03 0.00 -0.45 0.00 0.00 34.95 32.05 2kk6 s ARG 62 CO 0.11 -0.22 0.03 -1.01 -0.68 0.00 0.00 175.30 173.53 2kk6 s HIS 63 N -1.91 0.46 -0.22 -0.53 3.76 -1.26 -1.30 115.29 114.28 2kk6 s HIS 63 Ca 0.62 -0.11 0.02 0.00 -0.15 0.00 0.00 55.06 55.44 2kk6 s HIS 63 Cb -0.16 -0.71 0.05 0.00 1.11 0.00 0.00 32.58 32.86 2kk6 s HIS 63 CO 0.21 -0.33 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.59 2kk6 s PHE 64 N 2.04 2.81 0.23 1.40 0.08 0.48 -4.96 117.98 120.06 2kk6 s PHE 64 Ca 0.04 -1.91 -0.30 0.00 0.12 0.00 0.00 56.93 54.88 2kk6 s PHE 64 Cb -0.13 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.44 2kk6 s PHE 64 CO -0.05 -0.81 1.00 0.42 -0.10 0.00 0.00 175.22 175.68 2kk6 s ILE 65 N 1.26 3.93 -0.43 0.64 1.01 -1.26 -0.24 121.20 126.11 2kk6 s ILE 65 Ca -0.04 1.88 -0.29 0.00 0.00 0.00 0.00 60.65 62.21 2kk6 s ILE 65 Cb -0.18 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.12 2kk6 s ILE 65 CO -0.07 0.42 1.14 -0.63 0.00 0.00 0.00 174.94 175.80 2kk6 s ILE 66 N -0.98 4.26 -0.17 2.92 1.01 -0.23 -4.83 121.20 123.17 2kk6 s ILE 66 Ca 0.43 1.33 -0.29 0.00 0.00 0.00 0.00 60.65 62.12 2kk6 s ILE 66 Cb -0.28 -4.53 -0.03 0.00 0.01 0.00 0.00 42.46 37.63 2kk6 s ILE 66 CO 0.35 -0.87 1.52 -1.10 0.00 0.00 0.00 174.94 174.84 2kk6 s GLN 67 N 4.29 4.00 -0.75 2.79 1.11 1.00 -4.68 119.66 127.42 2kk6 s GLN 67 Ca 0.48 1.77 -0.23 0.00 0.01 0.00 0.00 55.36 57.39 2kk6 s GLN 67 Cb -0.09 -3.95 0.07 0.00 -1.01 0.00 0.00 33.01 28.04 2kk6 s GLN 67 CO 0.28 -1.03 1.09 -0.47 0.01 0.00 0.00 175.29 175.17 2kk6 s TYR 68 N 4.44 2.67 -0.09 0.91 5.04 -1.26 -1.70 117.35 127.36 2kk6 s TYR 68 Ca 0.67 -0.64 0.02 0.00 -2.44 0.00 0.00 57.07 54.69 2kk6 s TYR 68 Cb -0.26 -4.38 0.01 0.00 0.35 0.00 0.00 41.96 37.68 2kk6 s TYR 68 CO 0.25 -1.72 -0.16 0.08 -1.34 0.00 0.00 175.55 172.67 2kk6 s VAL 69 N 4.19 1.47 -1.56 3.14 1.01 -0.08 -4.72 120.40 123.87 2kk6 s VAL 69 Ca 0.28 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2kk6 s VAL 69 Cb -0.12 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2kk6 s VAL 69 CO 0.06 0.43 0.47 0.47 0.00 0.00 0.00 175.10 176.54 2kk6 n ASP 70 N 3.99 -5.79 -0.68 3.32 8.00 -1.26 -0.54 116.55 123.59 2kk6 n ASP 70 Ca -0.20 -0.23 -0.09 0.00 0.71 0.00 0.00 54.79 54.98 2kk6 n ASP 70 Cb 0.52 -4.72 -0.04 0.00 -0.02 0.00 0.00 41.12 36.86 2kk6 n ASP 70 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kk6 n ASN 71 N -2.39 -4.97 -4.48 -2.24 3.02 -1.26 -5.00 115.26 97.93 2kk6 n ASN 71 Ca -0.13 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.35 2kk6 n ASN 71 Cb 0.62 -3.25 -0.12 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.52 1.77 -0.24 3.52 -1.94 0.30 -4.87 119.30 115.32 2kk6 s MET 72 Ca 0.00 -1.18 -0.16 0.00 -1.71 0.00 0.00 55.69 52.64 2kk6 s MET 72 Cb 0.00 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 2kk6 s MET 72 CO 0.00 0.48 0.42 0.71 -0.01 0.00 0.00 175.02 176.62 2kk6 s TYR 73 N -1.12 3.31 0.22 -0.03 2.02 0.33 -0.90 117.35 121.18 2kk6 s TYR 73 Ca 0.17 0.56 -0.07 0.00 -0.37 0.00 0.00 57.07 57.37 2kk6 s TYR 73 Cb -0.11 -2.59 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 2kk6 s TYR 73 CO 0.09 -0.15 0.30 -0.98 -1.57 0.00 0.00 175.55 173.24 2kk6 s ARG 74 N 1.80 1.38 0.00 -0.62 1.70 -0.69 -0.87 118.95 121.66 2kk6 s ARG 74 Ca 0.18 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 2kk6 s ARG 74 Cb -0.15 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 2kk6 s ARG 74 CO 0.09 -0.52 0.00 1.19 -1.08 0.00 0.00 175.30 174.98 2kk6 n PHE 75 N -0.33 0.00 0.32 5.89 3.72 -1.26 -0.00 117.46 125.80 2kk6 n PHE 75 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.47 2kk6 n PHE 75 Cb 0.64 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.22 1.62 0.00 -1.08 2.13 -1.26 -4.76 120.64 117.06 2kk6 n GLU 76 Ca 0.00 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2kk6 n GLU 76 Cb 0.00 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 30.50 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kk6 n GLY 77 N 1.51 3.58 3.73 8.31 0.00 -1.26 -5.06 105.19 116.00 2kk6 n GLY 77 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 2kk6 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kk6 n THR 78 N 0.00 2.79 -4.92 2.61 -1.04 -1.26 -4.93 114.28 107.52 2kk6 n THR 78 Ca 0.00 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.18 2kk6 n THR 78 Cb 0.00 -1.68 -0.15 0.00 -1.82 0.00 0.00 70.33 66.68 2kk6 n THR 78 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kk6 s GLY 79 N -0.55 1.47 0.25 3.41 0.00 -1.26 -4.32 107.32 106.32 2kk6 s GLY 79 Ca 0.62 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 44.49 2kk6 s GLY 79 CO 0.57 -0.28 0.18 -1.36 0.00 0.00 0.00 173.10 172.21 2kk6 s PHE 80 N 0.27 3.09 0.27 1.90 0.40 -0.05 -4.77 117.98 119.09 2kk6 s PHE 80 Ca -0.12 -0.11 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2kk6 s PHE 80 Cb -0.16 -1.39 0.36 0.00 0.51 0.00 0.00 43.02 42.34 2kk6 s PHE 80 CO 0.06 0.53 1.67 1.03 0.70 0.00 0.00 175.22 179.21 2kk6 h SER 81 N 1.57 0.43 -4.26 1.36 0.87 -1.89 0.95 113.55 112.58 2kk6 h SER 81 Ca -0.48 -0.17 -0.54 0.00 -1.23 0.00 0.00 61.79 59.36 2kk6 h SER 81 Cb 1.24 -0.12 -0.24 0.00 -0.44 0.00 0.00 62.40 62.84 2kk6 h SER 81 CO 0.61 0.76 -0.82 0.20 -0.53 0.00 0.00 176.83 177.04 2kk6 s ASN 82 N -6.85 2.32 0.08 6.23 0.01 -1.26 -4.71 114.94 110.76 2kk6 s ASN 82 Ca -0.06 -0.58 -0.23 0.00 -0.71 0.00 0.00 52.86 51.28 2kk6 s ASN 82 Cb 0.13 -0.16 -0.14 0.00 0.41 0.00 0.00 41.25 41.49 2kk6 s ASN 82 CO 0.79 0.09 1.69 0.40 -1.51 0.00 0.00 177.10 178.56 2kk6 h ILE 83 N 4.27 1.06 -0.54 0.60 2.04 -1.94 -1.64 117.51 121.35 2kk6 h ILE 83 Ca -0.43 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.39 2kk6 h ILE 83 Cb 1.17 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2kk6 h ILE 83 CO 0.42 0.04 0.37 1.55 0.00 0.00 0.00 178.15 180.53 2kk6 h PRO 84 N -0.01 0.22 -0.09 2.37 0.13 -1.93 -0.91 132.00 131.77 2kk6 h PRO 84 Ca 0.01 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 2kk6 h PRO 84 Cb 0.06 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2kk6 h PRO 84 CO -0.00 0.14 -0.72 1.96 -0.23 0.00 0.00 178.00 179.15 2kk6 h GLN 85 N 0.22 0.65 -0.16 0.86 1.08 -1.87 -0.90 115.11 115.00 2kk6 h GLN 85 Ca 0.25 -0.58 0.04 0.00 -1.45 0.00 0.00 58.65 56.91 2kk6 h GLN 85 Cb 0.70 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.23 2kk6 h GLN 85 CO -0.05 1.19 -0.07 1.25 -0.95 0.00 0.00 178.83 180.20 2kk6 h LEU 86 N 0.30 -0.24 0.07 1.46 5.85 -0.27 -0.26 115.31 122.24 2kk6 h LEU 86 Ca -0.06 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kk6 h LEU 86 Cb 1.37 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2kk6 h LEU 86 CO 0.15 -0.09 -0.03 0.40 -0.34 0.00 0.00 178.44 178.52 2kk6 h ILE 87 N -0.05 1.18 -0.37 4.05 1.08 -1.27 -2.80 117.51 119.33 2kk6 h ILE 87 Ca 0.09 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2kk6 h ILE 87 Cb 0.18 1.80 -0.06 0.00 -3.07 0.00 0.00 36.82 35.67 2kk6 h ILE 87 CO -0.20 0.23 -0.00 -0.78 -0.69 0.00 0.00 178.15 176.72 2kk6 h ASP 88 N -0.54 -0.16 -0.58 1.72 3.58 -1.14 0.70 116.42 120.00 2kk6 h ASP 88 Ca -0.01 0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.57 2kk6 h ASP 88 Cb 0.46 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 2kk6 h ASP 88 CO 0.02 -0.04 0.32 -0.74 -2.88 0.00 0.00 179.24 175.92 2kk6 h HIS 89 N 0.10 0.60 -0.14 0.28 2.76 -1.09 -0.09 115.15 117.57 2kk6 h HIS 89 Ca 0.18 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2kk6 h HIS 89 Cb 0.26 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 2kk6 h HIS 89 CO -0.26 0.31 0.02 0.45 -1.30 0.00 0.00 177.93 177.15 2kk6 h HIS 90 N 0.62 0.26 0.39 5.26 3.86 -1.16 -2.61 115.15 121.77 2kk6 h HIS 90 Ca 0.25 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2kk6 h HIS 90 Cb 0.10 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 2kk6 h HIS 90 CO -0.08 0.43 -0.34 -0.92 0.86 0.00 0.00 177.93 177.88 2kk6 h TYR 91 N 0.00 -0.92 -0.79 2.45 3.20 -0.46 -0.05 116.97 120.42 2kk6 h TYR 91 Ca 0.04 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2kk6 h TYR 91 Cb 0.32 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 2kk6 h TYR 91 CO 0.02 -0.49 0.29 1.79 -1.64 0.00 0.00 178.16 178.13 2kk6 h THR 92 N -0.74 1.26 0.00 1.81 1.35 -1.12 -1.53 112.91 113.95 2kk6 h THR 92 Ca -0.03 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 2kk6 h THR 92 Cb 0.65 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2kk6 h THR 92 CO -0.03 0.35 0.00 0.35 -0.25 0.00 0.00 175.52 175.94 2kk6 n THR 93 N -4.27 0.11 -2.66 6.82 -2.24 -0.98 -4.90 114.28 106.17 2kk6 n THR 93 Ca 0.07 0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.66 2kk6 n THR 93 Cb 0.20 -0.58 0.01 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.27 -3.01 -2.85 -0.78 3.00 -0.25 -4.98 118.16 108.01 2kk6 n LYS 94 Ca 0.13 0.97 -0.29 0.00 -0.00 0.00 0.00 58.31 59.13 2kk6 n LYS 94 Cb 0.21 -5.72 -0.02 0.00 0.00 0.00 0.00 35.03 29.50 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 -5.32 3.66 0.51 1.64 -1.52 -0.19 -4.91 119.66 113.53 2kk6 s GLN 95 Ca 0.12 0.29 -0.12 0.00 -1.95 0.00 0.00 55.36 53.71 2kk6 s GLN 95 Cb -0.06 -2.43 -0.06 0.00 -0.22 0.00 0.00 33.01 30.25 2kk6 s GLN 95 CO 0.15 -0.06 0.91 0.14 -0.25 0.00 0.00 175.29 176.19 2kk6 s VAL 96 N -2.47 4.70 -0.07 1.09 -7.23 -1.26 -4.20 120.40 110.95 2kk6 s VAL 96 Ca 0.49 0.83 -0.08 0.00 -1.81 0.00 0.00 61.98 61.41 2kk6 s VAL 96 Cb -0.10 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 2kk6 s VAL 96 CO 0.36 -0.79 0.32 0.40 -0.31 0.00 0.00 175.10 175.08 2kk6 h ILE 97 N 0.53 0.07 -4.08 -0.62 1.08 -1.45 -3.47 117.51 109.58 2kk6 h ILE 97 Ca -0.46 -0.86 -0.47 0.00 -0.39 0.00 0.00 64.86 62.67 2kk6 h ILE 97 Cb 1.19 0.13 -0.30 0.00 -3.07 0.00 0.00 36.82 34.77 2kk6 h ILE 97 CO 0.62 0.02 -0.81 0.42 -0.69 0.00 0.00 178.15 177.72 2kk6 s THR 98 N -2.39 1.03 0.18 -0.27 -4.23 -1.26 -4.18 115.64 104.51 2kk6 s THR 98 Ca -0.04 -0.54 0.20 0.00 -1.18 0.00 0.00 61.69 60.13 2kk6 s THR 98 Cb 0.00 -0.87 0.16 0.00 1.34 0.00 0.00 72.50 73.14 2kk6 s THR 98 CO 0.14 0.30 1.77 0.11 -0.54 0.00 0.00 174.62 176.39 2kk6 h LYS 99 N 5.97 0.00 0.00 3.99 1.79 -1.97 0.17 116.57 126.52 2kk6 h LYS 99 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2kk6 h LYS 99 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2kk6 h LYS 99 CO 0.49 0.33 0.00 0.87 -1.08 0.00 0.00 179.45 180.05 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 6.56 -2.03 -3.34 116.57 120.91 2kk6 h LYS 100 Ca -0.00 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.48 2kk6 h LYS 100 Cb 0.83 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.47 2kk6 h LYS 100 CO 0.04 0.00 -1.40 0.45 -2.06 0.00 0.00 179.45 176.49 2kk6 n SER 101 N -2.35 2.06 -1.09 0.86 2.88 -0.98 -5.07 113.62 109.93 2kk6 n SER 101 Ca 0.03 0.02 -0.02 0.00 -1.33 0.00 0.00 58.87 57.57 2kk6 n SER 101 Cb 0.28 -0.16 0.01 0.00 -0.75 0.00 0.00 64.21 63.59 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kk6 n GLY 102 N 2.87 0.53 3.59 0.46 0.00 0.55 -5.06 105.19 108.14 2kk6 n GLY 102 Ca -0.13 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.04 4.33 0.18 1.61 1.01 -1.26 -5.00 120.40 118.23 2kk6 s VAL 103 Ca 0.02 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2kk6 s VAL 103 Cb -0.01 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2kk6 s VAL 103 CO 0.08 0.50 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 2kk6 s VAL 104 N 0.13 3.93 -0.30 2.92 1.01 -1.26 -0.98 120.40 125.84 2kk6 s VAL 104 Ca 0.02 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 2kk6 s VAL 104 Cb -0.13 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2kk6 s VAL 104 CO 0.02 -0.13 0.53 -0.76 0.00 0.00 0.00 175.10 174.75 2kk6 s LEU 105 N -3.05 4.17 0.12 3.92 1.43 -1.26 -4.86 118.68 119.15 2kk6 s LEU 105 Ca 0.29 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2kk6 s LEU 105 Cb -0.09 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2kk6 s LEU 105 CO 0.20 -0.39 0.12 -1.48 0.23 0.00 0.00 176.35 175.03 2kk6 s LEU 106 N 2.39 1.65 -0.13 1.79 2.34 -1.25 -4.73 118.68 120.75 2kk6 s LEU 106 Ca 0.21 -1.02 -0.11 0.00 0.06 0.00 0.00 54.13 53.27 2kk6 s LEU 106 Cb -0.15 0.60 0.02 0.00 -0.56 0.00 0.00 46.19 46.09 2kk6 s LEU 106 CO 0.11 -0.75 0.19 -0.46 -1.06 0.00 0.00 176.35 174.38 2kk6 n ASN 107 N -0.09 -2.42 -4.78 1.48 2.04 -1.26 -4.14 115.26 106.10 2kk6 n ASN 107 Ca -0.09 0.01 -0.36 0.00 -0.44 0.00 0.00 54.58 53.70 2kk6 n ASN 107 Cb 0.63 -0.66 -0.01 0.00 -2.53 0.00 0.00 39.78 37.21 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2kk6 s PRO 108 N -0.82 3.68 -0.34 -0.53 0.04 -1.26 -4.21 135.00 131.55 2kk6 s PRO 108 Ca 0.11 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 2kk6 s PRO 108 Cb -0.01 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2kk6 s PRO 108 CO 0.24 -0.59 0.40 0.42 0.04 0.00 0.00 177.00 177.52 2kk6 s ILE 109 N -1.68 5.13 0.85 0.56 -1.09 -1.20 -4.95 121.20 118.82 2kk6 s ILE 109 Ca 0.66 0.13 -0.11 0.00 -2.23 0.00 0.00 60.65 59.11 2kk6 s ILE 109 Cb -0.25 -3.85 0.11 0.00 -1.58 0.00 0.00 42.46 36.88 2kk6 s ILE 109 CO 0.30 -0.12 1.10 -2.16 -1.23 0.00 0.00 174.94 172.83 2kk6 s PRO 110 N 2.11 1.57 0.12 2.79 0.04 -1.25 -3.92 135.00 136.47 2kk6 s PRO 110 Ca 0.14 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.35 2kk6 s PRO 110 Cb -0.16 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2kk6 s PRO 110 CO 0.12 -2.12 0.24 -1.59 0.04 0.00 0.00 177.00 173.69 2kk6 s LYS 111 N -4.83 3.36 0.22 4.56 0.00 0.30 -4.89 119.74 118.45 2kk6 s LYS 111 Ca 0.63 -0.59 0.01 0.00 0.00 0.00 0.00 55.97 56.03 2kk6 s LYS 111 Cb -0.19 -2.94 0.01 0.00 0.00 0.00 0.00 37.83 34.71 2kk6 s LYS 111 CO 0.57 0.54 0.12 -0.40 0.00 0.00 0.00 175.35 176.18 2kk6 n ASP 112 N -0.25 1.96 -1.79 0.03 5.75 -1.26 -5.03 116.55 115.95 2kk6 n ASP 112 Ca -0.07 -1.80 0.03 0.00 -0.01 0.00 0.00 54.79 52.94 2kk6 n ASP 112 Cb 0.53 0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.69 2kk6 n ASP 112 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2kk6 n LYS 113 N -0.87 0.50 -1.84 0.11 0.00 -1.26 -5.09 118.16 109.71 2kk6 n LYS 113 Ca -0.03 -2.42 -0.43 0.00 -0.00 0.00 0.00 58.31 55.43 2kk6 n LYS 113 Cb 0.25 -0.46 -0.03 0.00 -0.00 0.00 0.00 35.03 34.80 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kk6 s LYS 114 N -1.04 3.59 0.00 -1.58 1.02 -1.26 -4.84 119.74 115.62 2kk6 s LYS 114 Ca 0.33 1.95 0.10 0.00 0.02 0.00 0.00 55.97 58.37 2kk6 s LYS 114 Cb 0.37 -4.20 0.32 0.00 -0.52 0.00 0.00 37.83 33.81 2kk6 s LYS 114 CO -0.13 -1.57 1.25 -2.67 -0.92 0.00 0.00 175.35 171.31 2kk6 n TRP 115 N 9.57 0.32 1.07 3.18 4.27 -1.26 -5.33 117.44 129.26 2kk6 n TRP 115 Ca 0.23 -0.16 0.12 0.00 -3.89 0.00 0.00 57.50 53.81 2kk6 n TRP 115 Cb 0.44 0.00 0.16 0.00 -1.36 0.00 0.00 31.31 30.55 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.29 0.00 0.00 177.69 174.51