#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk6 n GLY 2 N 0.00 -4.22 3.57 3.17 0.00 -1.26 -4.79 105.19 101.65 2kk6 n GLY 2 Ca 0.00 0.45 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 2kk6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kk6 s HIS 3 N -1.41 1.76 -1.35 1.61 0.09 -1.26 -4.86 115.29 109.87 2kk6 s HIS 3 Ca -0.01 0.79 -0.16 0.00 -0.00 0.00 0.00 55.06 55.68 2kk6 s HIS 3 Cb 0.00 -3.94 0.08 0.00 -0.00 0.00 0.00 32.58 28.71 2kk6 s HIS 3 CO 0.70 -1.53 1.89 0.72 -0.00 0.00 0.00 174.74 176.53 2kk6 n HIS 4 N 14.79 4.18 -3.62 1.40 -0.00 -1.26 -4.86 115.22 125.86 2kk6 n HIS 4 Ca 0.42 -2.93 -0.10 0.00 -0.00 0.00 0.00 57.72 55.11 2kk6 n HIS 4 Cb 0.46 -2.52 -0.06 0.00 -0.00 0.00 0.00 29.99 27.87 2kk6 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 5 N 3.35 -0.46 0.11 4.41 2.46 -1.26 -5.19 115.29 118.72 2kk6 s HIS 5 Ca 0.50 1.03 0.03 0.00 0.47 0.00 0.00 55.06 57.09 2kk6 s HIS 5 Cb 0.07 0.39 -0.04 0.00 -0.13 0.00 0.00 32.58 32.87 2kk6 s HIS 5 CO 0.01 -0.27 -0.09 -1.58 -2.47 0.00 0.00 174.74 170.33 2kk6 s HIS 6 N -0.16 1.07 -0.98 3.88 5.65 -1.26 -5.05 115.29 118.44 2kk6 s HIS 6 Ca 0.01 -0.75 -0.25 0.00 0.25 0.00 0.00 55.06 54.33 2kk6 s HIS 6 Cb -0.04 -0.58 -0.18 0.00 -1.18 0.00 0.00 32.58 30.60 2kk6 s HIS 6 CO -0.04 -0.01 1.96 1.58 -0.65 0.00 0.00 174.74 177.59 2kk6 n HIS 7 N 0.20 1.67 -2.99 3.88 -0.00 -1.26 -4.90 115.22 111.83 2kk6 n HIS 7 Ca -0.13 -0.92 -0.42 0.00 -0.00 0.00 0.00 57.72 56.25 2kk6 n HIS 7 Cb 0.59 -2.32 -0.05 0.00 -0.00 0.00 0.00 29.99 28.20 2kk6 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 8 N 12.39 3.11 0.21 1.57 5.65 -1.26 -5.04 115.29 131.91 2kk6 s HIS 8 Ca 0.72 0.47 -0.29 0.00 0.25 0.00 0.00 55.06 56.22 2kk6 s HIS 8 Cb 0.01 -3.37 -0.08 0.00 -1.18 0.00 0.00 32.58 27.95 2kk6 s HIS 8 CO 0.18 -0.74 0.90 0.45 -0.65 0.00 0.00 174.74 174.88 2kk6 s SER 9 N 1.86 7.56 0.04 9.88 0.15 -1.26 -5.06 113.70 126.88 2kk6 s SER 9 Ca 0.30 1.85 -0.27 0.00 0.70 0.00 0.00 55.95 58.53 2kk6 s SER 9 Cb -0.13 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.67 2kk6 s SER 9 CO 0.17 0.15 0.67 -2.28 1.20 0.00 0.00 173.24 173.15 2kk6 s HIS 10 N -1.04 -0.57 0.37 3.44 5.65 -1.26 -5.15 115.29 116.73 2kk6 s HIS 10 Ca 0.40 0.68 -0.27 0.00 0.25 0.00 0.00 55.06 56.12 2kk6 s HIS 10 Cb -0.25 0.49 -0.11 0.00 -1.18 0.00 0.00 32.58 31.53 2kk6 s HIS 10 CO 0.30 -0.70 1.34 -1.33 -0.65 0.00 0.00 174.74 173.70 2kk6 n MET 11 N 0.24 2.23 -2.86 2.88 2.00 -1.26 -4.97 117.12 115.37 2kk6 n MET 11 Ca -0.17 0.78 -0.40 0.00 0.00 0.00 0.00 57.70 57.91 2kk6 n MET 11 Cb 0.61 -2.44 -0.05 0.00 0.00 0.00 0.00 33.22 31.34 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 -2.04 4.58 1.15 0.03 -0.14 -1.26 -5.07 119.74 117.00 2kk6 s LYS 12 Ca 0.56 1.24 -0.15 0.00 -1.36 0.00 0.00 55.97 56.26 2kk6 s LYS 12 Cb -0.53 -3.37 0.26 0.00 -1.68 0.00 0.00 37.83 32.52 2kk6 s LYS 12 CO 0.61 0.24 1.05 -1.25 -0.76 0.00 0.00 175.35 175.25 2kk6 s PRO 13 N 0.02 -0.80 0.23 -1.68 0.04 -1.26 -4.84 135.00 126.71 2kk6 s PRO 13 Ca 0.43 0.43 -0.07 0.00 0.04 0.00 0.00 61.00 61.83 2kk6 s PRO 13 Cb -0.22 -1.60 0.34 0.00 0.04 0.00 0.00 34.50 33.06 2kk6 s PRO 13 CO 0.26 -3.54 1.79 1.25 0.04 0.00 0.00 177.00 176.80 2kk6 h LEU 14 N -2.47 0.50 -2.06 -3.56 5.85 -1.97 -1.20 115.31 110.40 2kk6 h LEU 14 Ca -0.54 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2kk6 h LEU 14 Cb 1.33 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2kk6 h LEU 14 CO 0.48 0.29 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 2kk6 h ALA 15 N 1.43 1.00 -0.01 1.25 0.00 -1.96 -1.71 119.26 119.26 2kk6 h ALA 15 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2kk6 h ALA 15 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2kk6 h ALA 15 CO -0.26 0.00 -0.34 0.39 0.00 0.00 0.00 179.25 179.04 2kk6 n GLU 16 N -2.89 0.88 -2.58 0.00 -0.58 -0.46 -4.91 120.64 110.10 2kk6 n GLU 16 Ca -0.01 -0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 55.72 2kk6 n GLU 16 Cb 0.16 -1.49 -0.03 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 -2.53 4.40 0.45 3.49 -1.52 -0.65 -4.94 119.66 118.37 2kk6 s GLN 17 Ca 0.22 1.53 0.19 0.00 -1.95 0.00 0.00 55.36 55.35 2kk6 s GLN 17 Cb 0.19 -3.54 1.06 0.00 -0.22 0.00 0.00 33.01 30.50 2kk6 s GLN 17 CO 0.55 -0.36 1.95 -0.44 -0.25 0.00 0.00 175.29 176.74 2kk6 h ASP 18 N 7.23 0.00 0.54 5.90 3.32 -1.91 -1.07 116.42 130.44 2kk6 h ASP 18 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2kk6 h ASP 18 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2kk6 h ASP 18 CO 0.86 0.23 -0.02 -2.67 -1.72 0.00 0.00 179.24 175.92 2kk6 n TRP 19 N -3.94 0.00 -3.48 4.55 4.27 -1.26 -2.62 117.44 114.96 2kk6 n TRP 19 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 2kk6 n TRP 19 Cb 0.31 -0.27 -0.09 0.00 -1.36 0.00 0.00 31.31 29.90 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 -2.56 3.31 -0.20 -2.67 5.04 -0.40 -0.91 117.35 118.95 2kk6 s TYR 20 Ca 0.29 0.40 0.11 0.00 -2.44 0.00 0.00 57.07 55.42 2kk6 s TYR 20 Cb 0.20 -2.45 0.22 0.00 0.35 0.00 0.00 41.96 40.28 2kk6 s TYR 20 CO 0.46 -0.07 1.15 0.72 -1.34 0.00 0.00 175.55 176.48 2kk6 n HIS 21 N 4.72 0.20 -3.59 4.97 8.25 -0.98 -4.84 115.22 123.95 2kk6 n HIS 21 Ca -0.11 -0.73 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2kk6 n HIS 21 Cb 0.51 -0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.69 -2.11 3.58 -1.41 0.00 -1.26 -4.53 105.19 98.77 2kk6 n GLY 22 Ca 0.10 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.01 3.16 0.10 4.61 0.00 -1.26 -2.55 121.76 124.82 2kk6 s ALA 23 Ca 0.00 -2.79 0.04 0.00 0.00 0.00 0.00 51.96 49.22 2kk6 s ALA 23 Cb 0.00 -4.63 -0.04 0.00 0.00 0.00 0.00 23.12 18.45 2kk6 s ALA 23 CO 0.00 -3.43 0.04 0.96 0.00 0.00 0.00 175.76 173.33 2kk6 s ILE 24 N 4.63 4.21 0.95 0.00 -4.36 -1.26 -4.80 121.20 120.58 2kk6 s ILE 24 Ca 0.53 -0.96 -0.10 0.00 -0.26 0.00 0.00 60.65 59.86 2kk6 s ILE 24 Cb 0.03 -3.04 0.16 0.00 1.25 0.00 0.00 42.46 40.86 2kk6 s ILE 24 CO 0.06 0.08 1.12 -2.84 0.24 0.00 0.00 174.94 173.60 2kk6 s PRO 25 N -2.48 0.78 0.32 0.37 0.02 -1.26 -4.80 135.00 127.96 2kk6 s PRO 25 Ca 0.28 1.41 0.06 0.00 0.02 0.00 0.00 61.00 62.77 2kk6 s PRO 25 Cb -0.11 -1.71 0.70 0.00 0.02 0.00 0.00 34.50 33.40 2kk6 s PRO 25 CO 0.20 -2.75 1.85 -0.09 -0.33 0.00 0.00 177.00 175.89 2kk6 h ARG 26 N -1.95 0.80 0.34 5.54 2.43 -1.99 -2.28 114.38 117.27 2kk6 h ARG 26 Ca -0.46 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2kk6 h ARG 26 Cb 1.28 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2kk6 h ARG 26 CO 0.43 0.53 -0.41 0.82 -1.51 0.00 0.00 179.97 179.83 2kk6 h ILE 27 N 0.82 0.17 -0.44 1.20 2.04 -2.00 -1.80 117.51 117.51 2kk6 h ILE 27 Ca 0.47 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.43 2kk6 h ILE 27 Cb 0.62 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 2kk6 h ILE 27 CO -0.23 0.00 0.31 -0.33 0.00 0.00 0.00 178.15 177.89 2kk6 h GLU 28 N -0.79 0.14 -0.16 2.37 4.39 -1.78 0.24 114.58 118.99 2kk6 h GLU 28 Ca -0.02 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 2kk6 h GLU 28 Cb 0.73 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2kk6 h GLU 28 CO -0.10 0.09 -0.54 0.00 -1.16 0.00 0.00 179.01 177.29 2kk6 h ALA 29 N 1.78 0.77 0.05 3.43 0.00 -1.00 -3.32 119.26 120.97 2kk6 h ALA 29 Ca 0.21 -0.51 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 2kk6 h ALA 29 Cb 0.64 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2kk6 h ALA 29 CO -0.03 0.69 -1.67 -0.56 0.00 0.00 0.00 179.25 177.68 2kk6 h GLN 30 N 0.36 0.11 -0.68 0.00 3.07 -0.38 -3.40 115.11 114.19 2kk6 h GLN 30 Ca 0.01 -0.19 0.01 0.00 0.09 0.00 0.00 58.65 58.57 2kk6 h GLN 30 Cb 1.07 0.07 -0.04 0.00 0.08 0.00 0.00 27.48 28.66 2kk6 h GLN 30 CO 0.10 0.83 0.45 0.93 0.09 0.00 0.00 178.83 181.22 2kk6 h GLU 31 N 0.03 0.88 0.00 0.06 4.39 -1.10 -2.62 114.58 116.22 2kk6 h GLU 31 Ca -0.28 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2kk6 h GLU 31 Cb 2.00 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.44 2kk6 h GLU 31 CO 0.10 0.58 -0.19 1.37 -1.16 0.00 0.00 179.01 179.71 2kk6 h LEU 32 N 0.91 0.00 -8.90 1.33 8.10 -1.77 -3.42 115.31 111.55 2kk6 h LEU 32 Ca 0.26 0.00 -0.58 0.00 0.11 0.00 0.00 57.88 57.67 2kk6 h LEU 32 Cb -0.08 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 2kk6 h LEU 32 CO -0.07 0.19 1.30 -0.76 -4.11 0.00 0.00 178.44 174.99 2kk6 s LEU 33 N -6.69 3.52 -0.01 0.17 1.43 -0.99 -4.81 118.68 111.30 2kk6 s LEU 33 Ca 0.01 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.55 2kk6 s LEU 33 Cb 0.10 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 2kk6 s LEU 33 CO 0.63 -1.71 0.03 2.29 0.23 0.00 0.00 176.35 177.83 2kk6 n LYS 34 N 8.42 1.39 -4.07 1.70 2.85 -1.26 -5.05 118.16 122.13 2kk6 n LYS 34 Ca 0.24 -0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.39 2kk6 n LYS 34 Cb 0.46 -1.06 -0.09 0.00 -0.65 0.00 0.00 35.03 33.69 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 -2.12 0.85 0.41 -1.58 -2.85 -1.26 -5.13 119.74 108.06 2kk6 s LYS 35 Ca -0.01 -1.28 -0.26 0.00 -1.00 0.00 0.00 55.97 53.41 2kk6 s LYS 35 Cb 0.01 0.26 -0.09 0.00 -2.06 0.00 0.00 37.83 35.95 2kk6 s LYS 35 CO 0.09 -0.24 1.39 -1.14 0.10 0.00 0.00 175.35 175.55 2kk6 s GLN 36 N -3.98 3.91 0.00 1.78 0.74 -1.26 -2.91 119.66 117.95 2kk6 s GLN 36 Ca 0.16 2.34 0.00 0.00 0.05 0.00 0.00 55.36 57.91 2kk6 s GLN 36 Cb 0.07 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.40 2kk6 s GLN 36 CO -0.03 -0.60 0.00 0.41 -0.55 0.00 0.00 175.29 174.51 2kk6 n GLY 37 N 0.61 2.96 3.69 2.59 0.00 0.44 -4.98 105.19 110.49 2kk6 n GLY 37 Ca 0.03 -0.66 -0.55 0.00 0.00 0.00 0.00 46.02 44.85 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 0.60 2.67 -4.01 1.61 8.00 -1.15 -4.06 116.55 120.21 2kk6 n ASP 38 Ca 0.00 1.01 -0.09 0.00 0.71 0.00 0.00 54.79 56.41 2kk6 n ASP 38 Cb 0.00 -1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 39.78 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 3.96 0.38 0.05 1.24 -0.71 -1.26 -0.76 117.98 120.88 2kk6 s PHE 39 Ca 0.98 -0.63 -0.12 0.00 -1.04 0.00 0.00 56.93 56.12 2kk6 s PHE 39 Cb -0.96 -0.26 0.01 0.00 -1.21 0.00 0.00 43.02 40.61 2kk6 s PHE 39 CO 0.61 -0.21 0.27 -0.48 -1.34 0.00 0.00 175.22 174.07 2kk6 s LEU 40 N -1.76 1.04 -0.15 -1.99 2.34 -0.34 -3.21 118.68 114.62 2kk6 s LEU 40 Ca -0.11 -0.27 -0.03 0.00 0.06 0.00 0.00 54.13 53.78 2kk6 s LEU 40 Cb -0.07 1.23 -0.03 0.00 -0.56 0.00 0.00 46.19 46.77 2kk6 s LEU 40 CO -0.02 -0.61 -0.05 -0.69 -1.06 0.00 0.00 176.35 173.92 2kk6 s VAL 41 N -2.64 3.82 0.14 1.48 1.01 -0.09 -0.82 120.40 123.30 2kk6 s VAL 41 Ca -0.04 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2kk6 s VAL 41 Cb -0.01 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2kk6 s VAL 41 CO -0.04 0.50 -0.15 0.00 0.00 0.00 0.00 175.10 175.41 2kk6 s ARG 42 N 0.30 1.09 -0.03 2.72 1.70 -0.78 -2.32 118.95 121.63 2kk6 s ARG 42 Ca -0.04 -1.31 -0.15 0.00 -0.47 0.00 0.00 55.73 53.77 2kk6 s ARG 42 Cb -0.14 -0.98 -0.05 0.00 -0.57 0.00 0.00 34.95 33.20 2kk6 s ARG 42 CO 0.03 0.19 0.39 -2.00 -1.08 0.00 0.00 175.30 172.83 2kk6 s GLU 43 N -2.82 3.98 -0.16 3.89 2.12 -1.06 -0.20 118.70 124.45 2kk6 s GLU 43 Ca 0.11 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.52 2kk6 s GLU 43 Cb -0.04 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2kk6 s GLU 43 CO 0.04 0.59 1.80 -1.12 -0.54 0.00 0.00 175.26 176.03 2kk6 s SER 44 N -0.73 6.24 0.41 -1.70 0.01 -0.58 -4.00 113.70 113.36 2kk6 s SER 44 Ca 0.23 1.92 0.08 0.00 1.31 0.00 0.00 55.95 59.49 2kk6 s SER 44 Cb -0.16 -2.53 0.88 0.00 0.21 0.00 0.00 66.02 64.42 2kk6 s SER 44 CO 0.12 -1.32 2.03 -0.74 0.41 0.00 0.00 173.24 173.74 2kk6 h HIS 45 N 11.41 0.53 -0.02 2.43 2.76 -1.87 -0.11 115.15 130.27 2kk6 h HIS 45 Ca -0.38 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2kk6 h HIS 45 Cb 1.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.97 2kk6 h HIS 45 CO 0.92 0.31 -0.05 0.41 -1.30 0.00 0.00 177.93 178.22 2kk6 n GLY 46 N -1.48 0.53 2.69 5.26 0.00 -1.26 -4.68 105.19 106.24 2kk6 n GLY 46 Ca 0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.07 1.56 0.11 1.61 2.47 -0.06 -5.11 119.74 118.25 2kk6 s LYS 47 Ca 0.30 -2.46 -0.31 0.00 -1.56 0.00 0.00 55.97 51.94 2kk6 s LYS 47 Cb 0.20 -2.44 -0.09 0.00 -1.46 0.00 0.00 37.83 34.04 2kk6 s LYS 47 CO 0.35 -1.26 1.65 -1.25 0.16 0.00 0.00 175.35 174.99 2kk6 s PRO 48 N -0.30 4.20 0.00 4.03 0.04 -1.25 -2.46 135.00 139.25 2kk6 s PRO 48 Ca 0.24 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2kk6 s PRO 48 Cb -0.10 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2kk6 s PRO 48 CO -0.10 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.64 2kk6 n GLY 49 N 3.94 0.81 3.28 0.56 0.00 -1.26 -5.04 105.19 107.48 2kk6 n GLY 49 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.69 3.09 -0.02 1.61 2.12 -1.03 -4.90 118.70 118.88 2kk6 s GLU 50 Ca 0.00 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 2kk6 s GLU 50 Cb 0.00 -3.11 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2kk6 s GLU 50 CO 0.00 -0.35 0.12 0.71 -0.54 0.00 0.00 175.26 175.20 2kk6 s TYR 51 N 1.43 3.41 -0.06 5.30 1.51 -1.26 -1.52 117.35 126.15 2kk6 s TYR 51 Ca 0.03 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.44 2kk6 s TYR 51 Cb -0.16 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 2kk6 s TYR 51 CO -0.02 0.60 -0.24 0.08 -1.11 0.00 0.00 175.55 174.86 2kk6 s VAL 52 N -1.21 2.01 0.04 0.71 1.01 0.72 -0.55 120.40 123.12 2kk6 s VAL 52 Ca 0.23 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2kk6 s VAL 52 Cb -0.12 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2kk6 s VAL 52 CO 0.14 0.56 0.66 -0.22 0.00 0.00 0.00 175.10 176.24 2kk6 s LEU 53 N -0.09 4.46 -0.28 3.92 2.96 0.59 -1.86 118.68 128.37 2kk6 s LEU 53 Ca -0.05 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.18 2kk6 s LEU 53 Cb -0.14 -3.05 0.08 0.00 0.50 0.00 0.00 46.19 43.57 2kk6 s LEU 53 CO 0.04 0.10 0.01 -0.55 -1.32 0.00 0.00 176.35 174.63 2kk6 s SER 54 N -0.34 4.13 -0.03 3.68 0.15 0.00 -1.82 113.70 119.48 2kk6 s SER 54 Ca 0.34 -1.54 0.05 0.00 0.70 0.00 0.00 55.95 55.50 2kk6 s SER 54 Cb -0.20 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.88 2kk6 s SER 54 CO 0.20 -0.31 -0.18 0.54 1.20 0.00 0.00 173.24 174.69 2kk6 s VAL 55 N 1.32 1.46 -0.36 4.45 0.11 -0.37 -1.19 120.40 125.81 2kk6 s VAL 55 Ca 0.02 -0.76 -0.17 0.00 -2.93 0.00 0.00 61.98 58.14 2kk6 s VAL 55 Cb -0.19 -1.23 -0.00 0.00 -1.53 0.00 0.00 36.38 33.43 2kk6 s VAL 55 CO -0.11 0.42 0.46 -0.47 -3.33 0.00 0.00 175.10 172.06 2kk6 s TYR 56 N -0.21 3.18 -0.07 1.54 5.04 0.06 -0.34 117.35 126.56 2kk6 s TYR 56 Ca 0.02 0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.61 2kk6 s TYR 56 Cb -0.09 -2.85 0.02 0.00 0.35 0.00 0.00 41.96 39.38 2kk6 s TYR 56 CO 0.01 -0.53 0.21 0.45 -1.34 0.00 0.00 175.55 174.34 2kk6 s SER 57 N 1.77 -0.19 -1.77 4.32 0.15 -0.22 -0.42 113.70 117.34 2kk6 s SER 57 Ca 0.16 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2kk6 s SER 57 Cb -0.16 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2kk6 s SER 57 CO 0.13 -0.13 0.00 0.47 1.20 0.00 0.00 173.24 174.91 2kk6 n ASP 58 N 2.70 -5.16 -0.62 5.45 9.92 -1.26 -0.94 116.55 126.63 2kk6 n ASP 58 Ca -0.14 0.29 -0.08 0.00 -0.53 0.00 0.00 54.79 54.33 2kk6 n ASP 58 Cb 0.58 -4.23 -0.03 0.00 -0.64 0.00 0.00 41.12 36.80 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 -0.87 0.93 3.17 0.44 0.00 -1.26 -5.03 105.19 102.57 2kk6 n GLY 59 Ca -0.19 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.78 0.81 -0.60 1.61 -0.21 -0.12 -5.11 119.66 113.26 2kk6 s GLN 60 Ca 0.00 -0.98 -0.23 0.00 0.02 0.00 0.00 55.36 54.17 2kk6 s GLN 60 Cb 0.00 -0.76 0.05 0.00 1.00 0.00 0.00 33.01 33.30 2kk6 s GLN 60 CO 0.00 0.16 0.96 1.03 -2.12 0.00 0.00 175.29 175.32 2kk6 s ARG 61 N -1.90 3.23 -0.07 2.91 3.00 -1.26 -1.06 118.95 123.80 2kk6 s ARG 61 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 55.73 54.96 2kk6 s ARG 61 Cb -0.09 -4.13 -0.03 0.00 0.00 0.00 0.00 34.95 30.69 2kk6 s ARG 61 CO 0.02 -1.65 0.74 1.03 0.00 0.00 0.00 175.30 175.44 2kk6 s ARG 62 N 4.06 4.44 -0.12 3.54 1.81 0.54 -4.95 118.95 128.27 2kk6 s ARG 62 Ca 0.27 0.95 0.01 0.00 -1.72 0.00 0.00 55.73 55.23 2kk6 s ARG 62 Cb -0.14 -3.46 0.02 0.00 -0.45 0.00 0.00 34.95 30.92 2kk6 s ARG 62 CO 0.15 0.02 -0.12 -1.01 -0.68 0.00 0.00 175.30 173.66 2kk6 s HIS 63 N 0.94 1.78 -0.09 -0.53 3.76 -1.26 -1.24 115.29 118.65 2kk6 s HIS 63 Ca 0.39 -0.89 0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2kk6 s HIS 63 Cb -0.18 -1.36 0.01 0.00 1.11 0.00 0.00 32.58 32.17 2kk6 s HIS 63 CO 0.19 -0.52 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.33 2kk6 s PHE 64 N 1.35 1.96 0.07 1.40 0.08 -0.76 -4.96 117.98 117.13 2kk6 s PHE 64 Ca -0.00 -0.85 -0.22 0.00 0.12 0.00 0.00 56.93 55.98 2kk6 s PHE 64 Cb -0.14 -1.39 -0.07 0.00 -0.57 0.00 0.00 43.02 40.86 2kk6 s PHE 64 CO -0.06 -0.41 0.66 0.42 -0.10 0.00 0.00 175.22 175.73 2kk6 s ILE 65 N 0.75 4.68 -0.40 0.64 1.01 -1.26 -0.30 121.20 126.32 2kk6 s ILE 65 Ca -0.12 1.41 -0.18 0.00 0.00 0.00 0.00 60.65 61.76 2kk6 s ILE 65 Cb -0.16 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.33 2kk6 s ILE 65 CO 0.02 0.49 0.49 -0.63 0.00 0.00 0.00 174.94 175.31 2kk6 s ILE 66 N -0.75 5.03 -0.16 2.92 1.01 0.28 -4.49 121.20 125.05 2kk6 s ILE 66 Ca 0.33 -0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.71 2kk6 s ILE 66 Cb -0.20 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2kk6 s ILE 66 CO 0.21 -0.38 0.63 -1.10 0.00 0.00 0.00 174.94 174.30 2kk6 s GLN 67 N 2.32 4.28 -0.75 2.79 1.11 0.72 -4.19 119.66 125.94 2kk6 s GLN 67 Ca 0.16 0.66 -0.24 0.00 0.01 0.00 0.00 55.36 55.95 2kk6 s GLN 67 Cb -0.16 -3.53 0.06 0.00 -1.01 0.00 0.00 33.01 28.37 2kk6 s GLN 67 CO 0.14 -0.12 1.14 -0.47 0.01 0.00 0.00 175.29 176.00 2kk6 s TYR 68 N 1.49 2.56 -0.13 0.91 5.04 -1.26 -1.20 117.35 124.77 2kk6 s TYR 68 Ca 0.31 -0.49 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 2kk6 s TYR 68 Cb -0.16 -4.46 0.02 0.00 0.35 0.00 0.00 41.96 37.71 2kk6 s TYR 68 CO 0.12 -1.82 -0.16 0.08 -1.34 0.00 0.00 175.55 172.43 2kk6 s VAL 69 N 4.62 1.65 -1.34 3.14 1.01 0.18 -4.81 120.40 124.85 2kk6 s VAL 69 Ca 0.30 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2kk6 s VAL 69 Cb -0.11 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2kk6 s VAL 69 CO 0.08 0.47 0.75 0.47 0.00 0.00 0.00 175.10 176.87 2kk6 n ASP 70 N 4.37 -1.75 0.00 3.32 8.00 -1.26 -0.94 116.55 128.29 2kk6 n ASP 70 Ca -0.19 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2kk6 n ASP 70 Cb 0.51 -4.08 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 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 -3.03 -4.14 -4.16 -2.24 3.02 -1.26 -4.97 115.26 98.48 2kk6 n ASN 71 Ca -0.25 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.02 2kk6 n ASN 71 Cb 0.66 -2.38 -0.17 0.00 -0.61 0.00 0.00 39.78 37.28 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 -1.23 2.28 -0.27 3.52 -1.94 -0.11 -4.31 119.30 117.24 2kk6 s MET 72 Ca 0.00 -0.70 -0.21 0.00 -1.71 0.00 0.00 55.69 53.06 2kk6 s MET 72 Cb 0.00 -1.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 2kk6 s MET 72 CO 0.00 0.20 0.68 0.71 -0.01 0.00 0.00 175.02 176.61 2kk6 s TYR 73 N 0.23 3.26 0.05 -0.03 2.02 0.84 -0.65 117.35 123.07 2kk6 s TYR 73 Ca -0.11 0.80 0.04 0.00 -0.37 0.00 0.00 57.07 57.44 2kk6 s TYR 73 Cb -0.15 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 2kk6 s TYR 73 CO 0.05 -0.41 -0.13 -0.98 -1.57 0.00 0.00 175.55 172.51 2kk6 s ARG 74 N 2.65 0.78 -0.14 -0.62 1.70 -0.34 -1.19 118.95 121.80 2kk6 s ARG 74 Ca 0.28 -0.84 -0.18 0.00 -0.47 0.00 0.00 55.73 54.53 2kk6 s ARG 74 Cb -0.15 -0.74 -0.25 0.00 -0.57 0.00 0.00 34.95 33.24 2kk6 s ARG 74 CO 0.10 0.17 0.47 0.74 -1.08 0.00 0.00 175.30 175.70 2kk6 h PHE 75 N 4.56 0.29 0.00 5.89 0.04 -1.79 0.21 116.94 126.14 2kk6 h PHE 75 Ca -0.39 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.17 2kk6 h PHE 75 Cb 1.19 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.33 2kk6 h PHE 75 CO 0.60 1.50 0.00 -0.85 -0.60 0.00 0.00 178.31 178.96 2kk6 n GLU 76 N -4.09 0.00 0.00 1.51 0.28 -1.26 -4.75 120.64 112.33 2kk6 n GLU 76 Ca -0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.74 2kk6 n GLU 76 Cb 0.81 -0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.46 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kk6 n GLY 77 N 0.84 0.22 3.72 -1.84 0.00 -1.26 -5.07 105.19 101.79 2kk6 n GLY 77 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kk6 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kk6 s THR 78 N 0.00 3.31 0.13 2.61 2.01 -1.26 -4.90 115.64 117.54 2kk6 s THR 78 Ca 0.00 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2kk6 s THR 78 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2kk6 s THR 78 CO 0.00 0.09 0.01 -0.83 -0.69 0.00 0.00 174.62 173.21 2kk6 s GLY 79 N 0.93 0.94 0.06 4.40 0.00 -1.26 -4.16 107.32 108.23 2kk6 s GLY 79 Ca 0.62 -1.45 0.09 0.00 0.00 0.00 0.00 44.72 43.99 2kk6 s GLY 79 CO 0.32 -1.41 -0.24 -1.36 0.00 0.00 0.00 173.10 170.41 2kk6 s PHE 80 N -3.88 2.40 0.38 1.90 0.40 -0.33 -4.79 117.98 114.06 2kk6 s PHE 80 Ca 0.20 -0.36 0.38 0.00 -0.60 0.00 0.00 56.93 56.56 2kk6 s PHE 80 Cb 0.07 -1.39 2.00 0.00 0.51 0.00 0.00 43.02 44.20 2kk6 s PHE 80 CO -0.00 0.20 2.17 0.77 0.70 0.00 0.00 175.22 179.05 2kk6 h SER 81 N 4.56 0.00 -3.74 1.36 0.02 -1.87 0.24 113.55 114.11 2kk6 h SER 81 Ca -0.48 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 59.83 2kk6 h SER 81 Cb 1.15 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.37 2kk6 h SER 81 CO 0.44 0.00 -0.87 0.20 -1.14 0.00 0.00 176.83 175.47 2kk6 s ASN 82 N -5.00 2.76 0.14 3.07 0.01 -1.26 -4.67 114.94 109.99 2kk6 s ASN 82 Ca -0.03 -0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 51.46 2kk6 s ASN 82 Cb 0.11 -0.95 0.01 0.00 0.41 0.00 0.00 41.25 40.83 2kk6 s ASN 82 CO 0.39 0.18 1.74 0.40 -1.51 0.00 0.00 177.10 178.31 2kk6 h ILE 83 N 5.37 0.89 -0.38 0.60 2.04 -1.95 0.03 117.51 124.11 2kk6 h ILE 83 Ca -0.28 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.60 2kk6 h ILE 83 Cb 1.19 0.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 2kk6 h ILE 83 CO 0.47 0.03 -0.13 1.55 0.00 0.00 0.00 178.15 180.07 2kk6 h PRO 84 N 0.18 -0.05 -0.14 2.37 0.13 -1.95 -2.39 132.00 130.15 2kk6 h PRO 84 Ca 0.12 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 2kk6 h PRO 84 Cb 0.11 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 2kk6 h PRO 84 CO -0.15 -0.03 -0.21 1.96 -0.23 0.00 0.00 178.00 179.34 2kk6 h GLN 85 N -0.05 0.24 0.22 0.86 1.08 -1.88 0.28 115.11 115.87 2kk6 h GLN 85 Ca 0.19 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 2kk6 h GLN 85 Cb 0.34 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.71 2kk6 h GLN 85 CO -0.42 0.45 -0.39 1.25 -0.95 0.00 0.00 178.83 178.77 2kk6 h LEU 86 N 0.22 -1.11 -0.03 1.46 5.85 -0.48 0.11 115.31 121.33 2kk6 h LEU 86 Ca 0.04 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2kk6 h LEU 86 Cb 0.51 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.94 2kk6 h LEU 86 CO 0.03 -0.49 -0.15 0.40 -0.34 0.00 0.00 178.44 177.89 2kk6 h ILE 87 N -0.69 1.48 -0.07 4.05 1.08 -1.38 -2.67 117.51 119.30 2kk6 h ILE 87 Ca 0.00 -1.63 0.04 0.00 -0.39 0.00 0.00 64.86 62.88 2kk6 h ILE 87 Cb 0.67 2.46 -0.05 0.00 -3.07 0.00 0.00 36.82 36.84 2kk6 h ILE 87 CO -0.16 0.45 -0.26 -0.78 -0.69 0.00 0.00 178.15 176.70 2kk6 h ASP 88 N -0.42 -0.80 0.87 1.72 1.82 -0.45 0.71 116.42 119.87 2kk6 h ASP 88 Ca -0.01 0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 2kk6 h ASP 88 Cb 0.81 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2kk6 h ASP 88 CO 0.03 -0.32 -0.39 -0.74 -1.61 0.00 0.00 179.24 176.22 2kk6 h HIS 89 N -0.36 0.00 -0.55 0.28 2.76 -0.89 0.11 115.15 116.49 2kk6 h HIS 89 Ca 0.08 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2kk6 h HIS 89 Cb 0.48 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 2kk6 h HIS 89 CO -0.33 0.39 0.12 0.45 -1.30 0.00 0.00 177.93 177.26 2kk6 h HIS 90 N 0.00 0.94 -0.26 5.26 3.86 -1.07 -1.85 115.15 122.04 2kk6 h HIS 90 Ca -0.00 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 2kk6 h HIS 90 Cb 0.93 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.12 2kk6 h HIS 90 CO 0.00 0.82 0.03 -0.92 0.86 0.00 0.00 177.93 178.72 2kk6 h TYR 91 N 0.79 0.47 -0.62 2.45 3.20 -0.15 0.37 116.97 123.49 2kk6 h TYR 91 Ca 0.17 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2kk6 h TYR 91 Cb 0.36 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2kk6 h TYR 91 CO 0.03 0.57 0.24 1.79 -1.64 0.00 0.00 178.16 179.14 2kk6 h THR 92 N 0.24 1.24 0.00 1.81 1.35 -1.02 -2.31 112.91 114.21 2kk6 h THR 92 Ca 0.08 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2kk6 h THR 92 Cb 0.36 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.35 2kk6 h THR 92 CO 0.01 0.29 0.00 0.71 -0.25 0.00 0.00 175.52 176.28 2kk6 h THR 93 N 0.87 0.00 -4.16 6.82 1.35 -1.32 -3.47 112.91 113.00 2kk6 h THR 93 Ca 0.21 -0.56 -0.40 0.00 -0.55 0.00 0.00 66.41 65.11 2kk6 h THR 93 Cb 0.22 1.51 0.03 0.00 -1.73 0.00 0.00 68.15 68.18 2kk6 h THR 93 CO -0.01 0.00 -0.57 1.17 -0.25 0.00 0.00 175.52 175.85 2kk6 n LYS 94 N -2.52 -3.88 -3.38 4.72 3.00 0.08 -4.98 118.16 111.19 2kk6 n LYS 94 Ca 0.04 0.89 -0.21 0.00 -0.00 0.00 0.00 58.31 59.03 2kk6 n LYS 94 Cb 0.41 -5.69 -0.00 0.00 0.00 0.00 0.00 35.03 29.75 2kk6 n LYS 94 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2kk6 s GLN 95 N -5.54 3.22 0.57 1.64 -0.44 -0.93 -4.85 119.66 113.34 2kk6 s GLN 95 Ca 0.22 -0.68 -0.19 0.00 -2.50 0.00 0.00 55.36 52.21 2kk6 s GLN 95 Cb -0.10 -2.72 -0.04 0.00 -1.64 0.00 0.00 33.01 28.50 2kk6 s GLN 95 CO 0.27 0.03 1.16 0.14 0.50 0.00 0.00 175.29 177.40 2kk6 s VAL 96 N -2.29 2.93 -0.05 1.34 -7.23 -1.26 -4.24 120.40 109.61 2kk6 s VAL 96 Ca 0.43 0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 61.15 2kk6 s VAL 96 Cb -0.10 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 2kk6 s VAL 96 CO 0.34 -0.14 0.16 0.40 -0.31 0.00 0.00 175.10 175.55 2kk6 h ILE 97 N 0.97 0.00 -3.90 -0.62 1.08 -1.14 -3.47 117.51 110.43 2kk6 h ILE 97 Ca -0.50 -0.49 -0.66 0.00 -0.39 0.00 0.00 64.86 62.82 2kk6 h ILE 97 Cb 1.28 0.00 -0.32 0.00 -3.07 0.00 0.00 36.82 34.71 2kk6 h ILE 97 CO 0.56 0.00 -0.87 0.42 -0.69 0.00 0.00 178.15 177.57 2kk6 s THR 98 N -1.72 1.90 0.43 -0.27 -4.23 -1.26 -4.77 115.64 105.73 2kk6 s THR 98 Ca -0.01 -0.98 0.28 0.00 -1.18 0.00 0.00 61.69 59.80 2kk6 s THR 98 Cb 0.00 -1.62 0.30 0.00 1.34 0.00 0.00 72.50 72.52 2kk6 s THR 98 CO 0.04 0.53 2.09 0.11 -0.54 0.00 0.00 174.62 176.86 2kk6 h LYS 99 N 6.20 0.00 0.00 3.99 1.79 -1.97 0.30 116.57 126.87 2kk6 h LYS 99 Ca -0.30 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 2kk6 h LYS 99 Cb 1.18 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2kk6 h LYS 99 CO 0.47 0.10 -0.16 1.57 -1.08 0.00 0.00 179.45 180.35 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 2.10 -2.02 -3.33 116.57 116.46 2kk6 h LYS 100 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kk6 h LYS 100 Cb 0.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2kk6 h LYS 100 CO 0.01 0.16 -0.93 0.45 -2.00 0.00 0.00 179.45 177.14 2kk6 n SER 101 N -3.59 4.20 -0.83 7.07 2.88 -1.00 -5.07 113.62 117.27 2kk6 n SER 101 Ca -0.01 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.50 2kk6 n SER 101 Cb 0.30 0.24 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 3.09 0.77 3.74 0.46 0.00 0.10 -5.04 105.19 108.31 2kk6 n GLY 102 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.00 5.03 0.12 1.61 1.01 -1.26 -4.89 120.40 119.03 2kk6 s VAL 103 Ca 0.06 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.27 2kk6 s VAL 103 Cb -0.03 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2kk6 s VAL 103 CO 0.08 0.35 0.12 -0.69 0.00 0.00 0.00 175.10 174.96 2kk6 s VAL 104 N 0.27 4.57 -0.28 2.92 1.01 -1.26 -0.51 120.40 127.12 2kk6 s VAL 104 Ca 0.31 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2kk6 s VAL 104 Cb -0.17 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2kk6 s VAL 104 CO 0.15 0.00 0.59 -0.76 0.00 0.00 0.00 175.10 175.09 2kk6 s LEU 105 N -2.78 4.10 0.01 3.92 1.43 -1.26 -4.91 118.68 119.19 2kk6 s LEU 105 Ca 0.30 0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2kk6 s LEU 105 Cb -0.11 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2kk6 s LEU 105 CO 0.23 -0.39 0.08 -1.48 0.23 0.00 0.00 176.35 175.03 2kk6 s LEU 106 N 2.49 1.77 -0.26 1.79 2.34 -1.26 -4.73 118.68 120.83 2kk6 s LEU 106 Ca 0.24 -0.31 -0.23 0.00 0.06 0.00 0.00 54.13 53.90 2kk6 s LEU 106 Cb -0.15 0.50 0.03 0.00 -0.56 0.00 0.00 46.19 46.01 2kk6 s LEU 106 CO 0.10 -0.35 0.38 -0.46 -1.06 0.00 0.00 176.35 174.96 2kk6 n ASN 107 N 1.48 -5.59 -4.79 1.48 6.94 -1.26 -3.96 115.26 109.55 2kk6 n ASN 107 Ca -0.23 0.05 -0.35 0.00 -0.02 0.00 0.00 54.58 54.03 2kk6 n ASN 107 Cb 0.55 -1.50 -0.04 0.00 -2.36 0.00 0.00 39.78 36.43 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2kk6 s PRO 108 N -1.77 4.04 -0.40 -0.53 0.04 -1.26 -3.90 135.00 131.22 2kk6 s PRO 108 Ca 0.22 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 2kk6 s PRO 108 Cb -0.02 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2kk6 s PRO 108 CO 0.50 -0.23 0.76 0.42 0.04 0.00 0.00 177.00 178.49 2kk6 s ILE 109 N -1.86 4.72 1.07 0.56 -1.09 -1.20 -4.93 121.20 118.47 2kk6 s ILE 109 Ca 0.62 0.62 -0.15 0.00 -2.23 0.00 0.00 60.65 59.51 2kk6 s ILE 109 Cb -0.18 -4.24 0.22 0.00 -1.58 0.00 0.00 42.46 36.69 2kk6 s ILE 109 CO 0.22 -0.55 1.12 -2.16 -1.23 0.00 0.00 174.94 172.34 2kk6 s PRO 110 N 3.12 -0.14 -0.07 2.79 0.04 -1.25 -4.10 135.00 135.40 2kk6 s PRO 110 Ca 0.29 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.55 2kk6 s PRO 110 Cb -0.13 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2kk6 s PRO 110 CO 0.19 -3.05 -0.05 -1.59 0.04 0.00 0.00 177.00 172.54 2kk6 s LYS 111 N -5.21 1.10 0.00 4.56 0.00 -1.08 -4.92 119.74 114.19 2kk6 s LYS 111 Ca 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.50 2kk6 s LYS 111 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 37.83 36.54 2kk6 s LYS 111 CO 0.56 -0.16 0.00 -0.40 0.00 0.00 0.00 175.35 175.35 2kk6 n ASP 112 N 4.48 0.00 -0.51 0.03 5.68 -1.26 -4.96 116.55 120.01 2kk6 n ASP 112 Ca -0.17 -0.78 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 2kk6 n ASP 112 Cb 0.51 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2kk6 n ASP 112 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2kk6 n LYS 113 N -0.78 0.00 -3.17 0.11 -0.00 -1.26 -5.11 118.16 107.95 2kk6 n LYS 113 Ca 0.00 -0.74 -0.39 0.00 -0.00 0.00 0.00 58.31 57.18 2kk6 n LYS 113 Cb 0.00 -0.36 -0.06 0.00 -0.00 0.00 0.00 35.03 34.62 2kk6 n LYS 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2kk6 s LYS 114 N 0.00 4.34 0.00 -1.58 0.00 -1.26 -4.95 119.74 116.29 2kk6 s LYS 114 Ca 0.00 0.80 0.19 0.00 0.00 0.00 0.00 55.97 56.96 2kk6 s LYS 114 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 37.83 34.50 2kk6 s LYS 114 CO -0.00 0.38 0.97 0.91 0.00 0.00 0.00 175.35 177.62 2kk6 n TRP 115 N 2.62 0.00 -0.70 1.78 5.03 -1.26 -5.31 117.44 119.60 2kk6 n TRP 115 Ca -0.06 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.47 2kk6 n TRP 115 Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.79 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77