#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 0.80 1.88 -5.12 0.00 -1.26 -5.09 105.19 96.40 2kk6 n GLY 2 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2kk6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kk6 n HIS 3 N -0.06 -0.75 -1.87 1.61 -0.00 -1.26 -5.08 115.22 107.81 2kk6 n HIS 3 Ca 0.00 0.13 -0.42 0.00 -0.00 0.00 0.00 57.72 57.43 2kk6 n HIS 3 Cb 0.03 0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 30.46 2kk6 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 4 N -1.32 2.15 0.41 4.41 5.65 -1.26 -4.99 115.29 120.33 2kk6 s HIS 4 Ca 0.00 0.14 0.01 0.00 0.25 0.00 0.00 55.06 55.46 2kk6 s HIS 4 Cb 0.00 -4.03 -0.01 0.00 -1.18 0.00 0.00 32.58 27.36 2kk6 s HIS 4 CO 0.00 -4.26 0.61 -1.01 -0.65 0.00 0.00 174.74 169.44 2kk6 s HIS 5 N 3.12 3.31 -0.39 3.88 4.02 -1.26 -5.09 115.29 122.87 2kk6 s HIS 5 Ca 0.77 0.23 0.04 0.00 1.02 0.00 0.00 55.06 57.13 2kk6 s HIS 5 Cb -0.40 -2.15 0.16 0.00 -1.02 0.00 0.00 32.58 29.18 2kk6 s HIS 5 CO 0.34 -0.17 0.45 -1.58 1.02 0.00 0.00 174.74 174.80 2kk6 s HIS 6 N -2.44 -0.58 -0.16 1.40 2.46 -1.26 -5.14 115.29 109.57 2kk6 s HIS 6 Ca 0.45 -0.72 -0.10 0.00 0.47 0.00 0.00 55.06 55.17 2kk6 s HIS 6 Cb -0.10 -0.24 -0.05 0.00 -0.13 0.00 0.00 32.58 32.06 2kk6 s HIS 6 CO 0.37 -1.03 0.18 -1.58 -2.47 0.00 0.00 174.74 170.21 2kk6 s HIS 7 N 1.35 3.49 -0.14 3.88 5.65 -1.26 -5.09 115.29 123.18 2kk6 s HIS 7 Ca 0.19 0.47 -0.04 0.00 0.25 0.00 0.00 55.06 55.93 2kk6 s HIS 7 Cb -0.11 -2.13 0.05 0.00 -1.18 0.00 0.00 32.58 29.21 2kk6 s HIS 7 CO -0.05 0.44 0.07 -1.58 -0.65 0.00 0.00 174.74 172.97 2kk6 s HIS 8 N -0.12 0.36 0.36 3.88 2.46 -1.26 -5.14 115.29 115.83 2kk6 s HIS 8 Ca 0.12 -0.30 -0.06 0.00 0.47 0.00 0.00 55.06 55.30 2kk6 s HIS 8 Cb -0.12 -0.73 -0.05 0.00 -0.13 0.00 0.00 32.58 31.55 2kk6 s HIS 8 CO 0.02 -0.46 0.65 -1.12 -2.47 0.00 0.00 174.74 171.36 2kk6 s SER 9 N 2.08 6.42 -0.05 9.88 0.01 -1.26 -5.05 113.70 125.73 2kk6 s SER 9 Ca 0.02 0.83 -0.18 0.00 1.31 0.00 0.00 55.95 57.93 2kk6 s SER 9 Cb -0.15 -2.20 -0.13 0.00 0.21 0.00 0.00 66.02 63.75 2kk6 s SER 9 CO -0.07 -0.32 0.74 0.45 0.41 0.00 0.00 173.24 174.45 2kk6 h HIS 10 N 1.24 -0.27 -3.56 2.43 -0.00 -2.08 -3.42 115.15 109.50 2kk6 h HIS 10 Ca -0.48 -0.01 -0.70 0.00 -0.00 0.00 0.00 60.37 59.19 2kk6 h HIS 10 Cb 1.19 0.09 -0.32 0.00 -0.00 0.00 0.00 27.41 28.37 2kk6 h HIS 10 CO 0.58 0.08 -0.57 -1.64 -0.00 0.00 0.00 177.93 176.38 2kk6 s MET 11 N -3.23 2.32 0.09 2.45 1.00 -1.26 -5.10 119.30 115.57 2kk6 s MET 11 Ca -0.11 -1.53 -0.01 0.00 0.00 0.00 0.00 55.69 54.04 2kk6 s MET 11 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.26 2kk6 s MET 11 CO 0.38 -0.89 0.26 0.15 0.00 0.00 0.00 175.02 174.92 2kk6 s LYS 12 N 1.27 3.48 0.83 2.03 1.02 -1.26 -5.11 119.74 122.00 2kk6 s LYS 12 Ca 0.03 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 2kk6 s LYS 12 Cb -0.22 -2.98 0.10 0.00 -0.52 0.00 0.00 37.83 34.21 2kk6 s LYS 12 CO -0.01 0.56 1.14 -1.25 -0.92 0.00 0.00 175.35 174.87 2kk6 s PRO 13 N -2.64 1.63 0.29 -1.68 0.04 -1.26 -4.71 135.00 126.67 2kk6 s PRO 13 Ca 0.36 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.89 2kk6 s PRO 13 Cb -0.13 -1.80 0.53 0.00 0.04 0.00 0.00 34.50 33.14 2kk6 s PRO 13 CO 0.27 -2.16 1.87 1.25 0.04 0.00 0.00 177.00 178.27 2kk6 h LEU 14 N -1.31 0.94 -1.70 -3.56 5.85 -1.99 0.13 115.31 113.67 2kk6 h LEU 14 Ca -0.44 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 2kk6 h LEU 14 Cb 1.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2kk6 h LEU 14 CO 0.46 0.55 -0.17 0.00 -0.34 0.00 0.00 178.44 178.95 2kk6 h ALA 15 N 1.51 1.27 0.00 1.25 0.00 -1.93 -2.57 119.26 118.79 2kk6 h ALA 15 Ca 0.45 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2kk6 h ALA 15 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kk6 h ALA 15 CO -0.20 0.21 -1.08 0.93 0.00 0.00 0.00 179.25 179.11 2kk6 h GLU 16 N 0.00 0.00 -5.64 0.00 4.39 -1.18 -3.45 114.58 108.69 2kk6 h GLU 16 Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 2kk6 h GLU 16 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2kk6 h GLU 16 CO 0.02 0.27 1.57 1.04 -1.16 0.00 0.00 179.01 180.75 2kk6 n GLN 17 N -2.93 0.88 0.24 2.33 1.13 -0.09 -4.80 117.38 114.14 2kk6 n GLN 17 Ca -0.05 0.14 0.16 0.00 -1.94 0.00 0.00 57.00 55.31 2kk6 n GLN 17 Cb 0.75 -2.63 0.84 0.00 0.11 0.00 0.00 30.24 29.31 2kk6 n GLN 17 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2kk6 h ASP 18 N 14.96 0.00 1.25 1.08 5.19 -1.87 0.33 116.42 137.36 2kk6 h ASP 18 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2kk6 h ASP 18 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2kk6 h ASP 18 CO 1.15 0.00 0.00 4.11 -3.12 0.00 0.00 179.24 181.38 2kk6 h TRP 19 N 0.00 0.00 -3.48 4.55 5.08 -1.87 0.34 115.95 120.56 2kk6 h TRP 19 Ca 0.05 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.41 2kk6 h TRP 19 Cb 0.29 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.33 2kk6 h TRP 19 CO 0.00 0.00 0.20 -0.47 -1.28 0.00 0.00 178.44 176.89 2kk6 s TYR 20 N -3.54 3.25 -0.97 0.12 5.04 0.12 -0.57 117.35 120.79 2kk6 s TYR 20 Ca 0.03 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.39 2kk6 s TYR 20 Cb 0.08 -2.94 0.30 0.00 0.35 0.00 0.00 41.96 39.74 2kk6 s TYR 20 CO 0.57 -0.41 1.31 0.72 -1.34 0.00 0.00 175.55 176.40 2kk6 n HIS 21 N 5.84 2.57 -3.91 4.97 8.25 0.01 -4.56 115.22 128.38 2kk6 n HIS 21 Ca 0.00 -2.95 -0.28 0.00 -0.26 0.00 0.00 57.72 54.23 2kk6 n HIS 21 Cb 0.49 -1.08 -0.07 0.00 1.12 0.00 0.00 29.99 30.44 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 1.19 -0.18 2.41 -1.41 0.00 -1.26 -0.82 105.19 105.12 2kk6 n GLY 22 Ca 0.27 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 2kk6 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kk6 n ALA 23 N -3.61 -0.52 -0.99 4.61 0.00 -1.26 -4.89 120.51 113.84 2kk6 n ALA 23 Ca -0.13 0.20 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 2kk6 n ALA 23 Cb 0.47 -1.93 0.14 0.00 0.00 0.00 0.00 19.45 18.14 2kk6 n ALA 23 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2kk6 s ILE 24 N -2.77 2.11 0.85 0.00 -4.36 0.00 -4.61 121.20 112.43 2kk6 s ILE 24 Ca 0.00 0.04 -0.10 0.00 -0.26 0.00 0.00 60.65 60.33 2kk6 s ILE 24 Cb 0.00 -2.33 0.11 0.00 1.25 0.00 0.00 42.46 41.48 2kk6 s ILE 24 CO 0.00 -0.04 1.12 -2.84 0.24 0.00 0.00 174.94 173.42 2kk6 s PRO 25 N -4.32 1.56 0.32 0.37 0.02 -1.26 -4.71 135.00 126.98 2kk6 s PRO 25 Ca 0.71 1.35 0.03 0.00 0.02 0.00 0.00 61.00 63.11 2kk6 s PRO 25 Cb -0.26 -1.80 0.63 0.00 0.02 0.00 0.00 34.50 33.09 2kk6 s PRO 25 CO 0.53 -2.19 1.90 -0.09 -0.33 0.00 0.00 177.00 176.81 2kk6 h ARG 26 N -1.54 0.88 0.52 5.54 2.43 -1.98 -1.55 114.38 118.68 2kk6 h ARG 26 Ca -0.44 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 2kk6 h ARG 26 Cb 1.25 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 2kk6 h ARG 26 CO 0.46 0.58 -0.41 0.82 -1.51 0.00 0.00 179.97 179.91 2kk6 h ILE 27 N 0.90 0.16 -0.12 1.20 2.04 -1.99 -0.54 117.51 119.17 2kk6 h ILE 27 Ca 0.41 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.28 2kk6 h ILE 27 Cb 0.37 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2kk6 h ILE 27 CO -0.17 0.00 0.08 -0.33 0.00 0.00 0.00 178.15 177.73 2kk6 h GLU 28 N -0.92 0.12 -0.28 2.37 4.39 -1.86 0.21 114.58 118.61 2kk6 h GLU 28 Ca -0.06 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.51 2kk6 h GLU 28 Cb 0.78 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2kk6 h GLU 28 CO -0.00 0.08 -0.35 0.00 -1.16 0.00 0.00 179.01 177.58 2kk6 h ALA 29 N 1.93 0.88 0.09 3.43 0.00 -0.80 -3.26 119.26 121.53 2kk6 h ALA 29 Ca 0.05 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.24 2kk6 h ALA 29 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kk6 h ALA 29 CO -0.01 0.63 -1.62 -0.56 0.00 0.00 0.00 179.25 177.69 2kk6 h GLN 30 N 0.52 0.19 0.00 0.00 3.07 -0.25 -3.37 115.11 115.26 2kk6 h GLN 30 Ca 0.06 -0.32 0.00 0.00 0.09 0.00 0.00 58.65 58.48 2kk6 h GLN 30 Cb 0.84 0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.52 2kk6 h GLN 30 CO 0.07 0.99 0.00 0.39 0.09 0.00 0.00 178.83 180.37 2kk6 n GLU 31 N -3.37 0.09 0.00 0.06 -0.58 -0.02 -1.12 120.64 115.70 2kk6 n GLU 31 Ca -0.18 0.37 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 2kk6 n GLU 31 Cb 1.04 -1.68 0.02 0.00 -0.57 0.00 0.00 31.44 30.25 2kk6 n GLU 31 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2kk6 n LEU 32 N -1.84 0.95 -4.59 -4.62 -0.00 -1.23 -4.89 117.00 100.78 2kk6 n LEU 32 Ca 0.02 -0.37 -0.43 0.00 -0.00 0.00 0.00 56.01 55.23 2kk6 n LEU 32 Cb 0.17 -0.08 -0.03 0.00 -0.00 0.00 0.00 43.42 43.48 2kk6 n LEU 32 CO 0.14 0.22 0.84 -0.76 -0.00 0.00 0.00 177.39 177.84 2kk6 s LEU 33 N -2.93 3.89 -0.05 1.47 1.43 -0.28 -4.86 118.68 117.35 2kk6 s LEU 33 Ca 0.10 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 2kk6 s LEU 33 Cb 0.17 -3.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 2kk6 s LEU 33 CO 0.78 -1.06 -0.04 2.29 0.23 0.00 0.00 176.35 178.54 2kk6 n LYS 34 N 7.27 0.12 -4.41 1.70 2.85 -1.26 -5.00 118.16 119.43 2kk6 n LYS 34 Ca 0.08 0.03 -0.27 0.00 -1.05 0.00 0.00 58.31 57.10 2kk6 n LYS 34 Cb 0.48 -1.06 -0.12 0.00 -0.65 0.00 0.00 35.03 33.68 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 -2.10 1.48 -0.53 -1.58 -2.85 -1.26 -5.06 119.74 107.84 2kk6 s LYS 35 Ca -0.07 -1.48 -0.26 0.00 -1.00 0.00 0.00 55.97 53.16 2kk6 s LYS 35 Cb 0.02 -1.85 -0.06 0.00 -2.06 0.00 0.00 37.83 33.88 2kk6 s LYS 35 CO 0.11 0.41 2.26 -1.14 0.10 0.00 0.00 175.35 177.09 2kk6 s GLN 36 N -2.52 2.23 0.00 1.78 0.74 -1.26 -2.39 119.66 118.24 2kk6 s GLN 36 Ca 0.19 1.17 0.00 0.00 0.05 0.00 0.00 55.36 56.77 2kk6 s GLN 36 Cb -0.08 -4.54 0.00 0.00 1.10 0.00 0.00 33.01 29.49 2kk6 s GLN 36 CO 0.09 -3.16 0.00 0.41 -0.55 0.00 0.00 175.29 172.08 2kk6 n GLY 37 N 5.94 3.13 3.70 2.59 0.00 0.05 -4.97 105.19 115.63 2kk6 n GLY 37 Ca 0.32 -0.41 -0.54 0.00 0.00 0.00 0.00 46.02 45.39 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 2.77 -4.06 1.61 8.00 -1.01 -3.84 116.55 120.02 2kk6 n ASP 38 Ca 0.00 1.04 -0.15 0.00 0.71 0.00 0.00 54.79 56.39 2kk6 n ASP 38 Cb 0.00 -1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 39.75 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 3.71 0.74 -0.03 1.24 -0.71 -1.26 -1.11 117.98 120.56 2kk6 s PHE 39 Ca 0.96 -0.40 -0.15 0.00 -1.04 0.00 0.00 56.93 56.31 2kk6 s PHE 39 Cb -0.93 -0.44 0.03 0.00 -1.21 0.00 0.00 43.02 40.46 2kk6 s PHE 39 CO 0.60 -0.04 0.33 -0.48 -1.34 0.00 0.00 175.22 174.29 2kk6 s LEU 40 N -1.25 0.77 -0.21 -1.99 2.34 -0.05 -3.35 118.68 114.94 2kk6 s LEU 40 Ca -0.06 0.20 -0.07 0.00 0.06 0.00 0.00 54.13 54.26 2kk6 s LEU 40 Cb -0.08 1.30 -0.04 0.00 -0.56 0.00 0.00 46.19 46.82 2kk6 s LEU 40 CO 0.01 -0.40 0.06 -0.69 -1.06 0.00 0.00 176.35 174.27 2kk6 s VAL 41 N -1.09 4.58 0.01 1.48 1.01 0.26 -0.16 120.40 126.49 2kk6 s VAL 41 Ca -0.11 -0.10 0.08 0.00 0.00 0.00 0.00 61.98 61.85 2kk6 s VAL 41 Cb -0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2kk6 s VAL 41 CO 0.04 0.41 -0.23 0.00 0.00 0.00 0.00 175.10 175.31 2kk6 s ARG 42 N 0.89 2.06 0.10 2.72 1.70 -0.45 -0.81 118.95 125.15 2kk6 s ARG 42 Ca 0.04 -0.97 -0.22 0.00 -0.47 0.00 0.00 55.73 54.11 2kk6 s ARG 42 Cb -0.14 -2.09 -0.07 0.00 -0.57 0.00 0.00 34.95 32.08 2kk6 s ARG 42 CO 0.03 0.55 0.65 -2.00 -1.08 0.00 0.00 175.30 173.44 2kk6 s GLU 43 N -0.97 4.34 0.03 3.89 2.12 -1.26 -0.79 118.70 126.06 2kk6 s GLU 43 Ca 0.12 0.89 -0.30 0.00 0.36 0.00 0.00 54.97 56.03 2kk6 s GLU 43 Cb -0.10 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 2kk6 s GLU 43 CO 0.01 0.59 1.06 0.45 -0.54 0.00 0.00 175.26 176.84 2kk6 s SER 44 N -1.05 7.27 0.20 -1.70 0.15 0.52 -4.32 113.70 114.77 2kk6 s SER 44 Ca 0.32 1.81 -0.00 0.00 0.70 0.00 0.00 55.95 58.77 2kk6 s SER 44 Cb -0.21 -2.57 0.15 0.00 -1.71 0.00 0.00 66.02 61.68 2kk6 s SER 44 CO 0.21 -0.33 1.51 0.45 1.20 0.00 0.00 173.24 176.28 2kk6 h HIS 45 N 6.71 0.53 -0.15 3.44 -0.00 -1.90 -3.21 115.15 120.58 2kk6 h HIS 45 Ca -0.41 -0.20 -0.10 0.00 -0.00 0.00 0.00 60.37 59.65 2kk6 h HIS 45 Cb 1.22 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.52 2kk6 h HIS 45 CO 0.67 0.92 -0.37 0.78 -0.00 0.00 0.00 177.93 179.93 2kk6 h GLY 46 N 1.24 0.33 -7.07 2.45 0.00 -1.98 -3.38 103.07 94.67 2kk6 h GLY 46 Ca -0.01 -0.30 -0.60 0.00 0.00 0.00 0.00 47.33 46.42 2kk6 h GLY 46 CO 0.11 0.28 -0.74 1.25 0.00 0.00 0.00 176.54 177.43 2kk6 s LYS 47 N -4.24 1.11 -0.48 4.80 2.47 -1.22 -5.09 119.74 117.09 2kk6 s LYS 47 Ca -0.05 -1.71 -0.28 0.00 -1.56 0.00 0.00 55.97 52.37 2kk6 s LYS 47 Cb 0.13 -2.26 -0.09 0.00 -1.46 0.00 0.00 37.83 34.16 2kk6 s LYS 47 CO 0.78 -1.10 2.40 -2.30 0.16 0.00 0.00 175.35 175.28 2kk6 n PRO 48 N 3.98 1.10 0.00 4.03 -0.02 -1.21 -1.04 135.00 141.84 2kk6 n PRO 48 Ca 0.05 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2kk6 n PRO 48 Cb 0.37 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 2kk6 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kk6 n GLY 49 N 6.07 1.62 3.59 -1.23 0.00 -1.26 -5.08 105.19 108.90 2kk6 n GLY 49 Ca 0.39 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 3.79 -0.13 1.61 2.12 -0.20 -4.97 118.70 120.92 2kk6 s GLU 50 Ca 0.00 0.22 -0.06 0.00 0.36 0.00 0.00 54.97 55.48 2kk6 s GLU 50 Cb 0.00 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 2kk6 s GLU 50 CO 0.00 -0.69 0.09 0.71 -0.54 0.00 0.00 175.26 174.84 2kk6 s TYR 51 N 2.74 3.42 -0.08 5.30 1.51 -1.26 -0.35 117.35 128.63 2kk6 s TYR 51 Ca 0.26 0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.70 2kk6 s TYR 51 Cb -0.14 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2kk6 s TYR 51 CO 0.14 0.54 -0.15 0.08 -1.11 0.00 0.00 175.55 175.05 2kk6 s VAL 52 N -0.63 1.36 -0.33 0.71 1.01 0.03 -0.62 120.40 121.93 2kk6 s VAL 52 Ca 0.12 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 2kk6 s VAL 52 Cb -0.12 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.04 2kk6 s VAL 52 CO 0.02 0.41 0.75 -0.22 0.00 0.00 0.00 175.10 176.06 2kk6 s LEU 53 N 0.68 4.12 -0.28 3.92 2.96 0.62 -1.34 118.68 129.36 2kk6 s LEU 53 Ca -0.14 0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 54.15 2kk6 s LEU 53 Cb -0.16 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.51 2kk6 s LEU 53 CO 0.04 -0.64 0.13 -0.55 -1.32 0.00 0.00 176.35 174.01 2kk6 s SER 54 N 1.72 5.49 0.01 3.68 0.15 0.78 -1.00 113.70 124.52 2kk6 s SER 54 Ca 0.30 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.67 2kk6 s SER 54 Cb -0.14 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.17 2kk6 s SER 54 CO 0.14 -0.10 -0.05 0.54 1.20 0.00 0.00 173.24 174.97 2kk6 s VAL 55 N 1.65 0.34 -0.41 4.45 0.11 -0.40 -0.87 120.40 125.27 2kk6 s VAL 55 Ca 0.06 -0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 58.45 2kk6 s VAL 55 Cb -0.16 -0.34 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2kk6 s VAL 55 CO 0.06 -0.06 0.82 -0.47 -3.33 0.00 0.00 175.10 172.12 2kk6 s TYR 56 N -0.48 3.03 -0.07 1.54 5.04 -0.26 0.13 117.35 126.28 2kk6 s TYR 56 Ca -0.02 0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 54.92 2kk6 s TYR 56 Cb -0.04 -3.62 0.02 0.00 0.35 0.00 0.00 41.96 38.67 2kk6 s TYR 56 CO -0.00 -0.90 0.23 0.45 -1.34 0.00 0.00 175.55 173.99 2kk6 s SER 57 N 2.03 -0.20 -0.32 4.32 0.15 0.20 -0.77 113.70 119.11 2kk6 s SER 57 Ca 0.32 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2kk6 s SER 57 Cb -0.12 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2kk6 s SER 57 CO 0.21 -0.17 0.00 0.47 1.20 0.00 0.00 173.24 174.95 2kk6 n ASP 58 N 2.53 -4.65 0.00 5.45 8.00 -1.26 -0.58 116.55 126.05 2kk6 n ASP 58 Ca -0.15 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2kk6 n ASP 58 Cb 0.58 -2.41 0.00 0.00 -0.02 0.00 0.00 41.12 39.26 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 -0.92 0.61 3.52 0.44 0.00 -1.26 -5.05 105.19 102.53 2kk6 n GLY 59 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.13 1.78 -0.53 1.61 -0.21 0.26 -5.11 119.66 117.33 2kk6 s GLN 60 Ca 0.00 -1.88 -0.18 0.00 0.02 0.00 0.00 55.36 53.32 2kk6 s GLN 60 Cb 0.00 -1.73 0.08 0.00 1.00 0.00 0.00 33.01 32.36 2kk6 s GLN 60 CO 0.00 0.20 0.59 1.03 -2.12 0.00 0.00 175.29 174.99 2kk6 s ARG 61 N -3.58 3.05 0.32 2.91 3.00 -1.26 -0.63 118.95 122.76 2kk6 s ARG 61 Ca 0.32 -1.22 -0.26 0.00 0.00 0.00 0.00 55.73 54.56 2kk6 s ARG 61 Cb 0.00 -4.18 -0.10 0.00 0.00 0.00 0.00 34.95 30.67 2kk6 s ARG 61 CO 0.16 -1.30 0.95 1.03 0.00 0.00 0.00 175.30 176.14 2kk6 s ARG 62 N 2.32 4.58 -0.13 3.54 1.81 0.12 -4.88 118.95 126.31 2kk6 s ARG 62 Ca 0.10 1.34 -0.01 0.00 -1.72 0.00 0.00 55.73 55.44 2kk6 s ARG 62 Cb -0.23 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.49 2kk6 s ARG 62 CO 0.08 0.28 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.92 2kk6 s HIS 63 N -1.60 1.39 -0.20 -0.53 3.76 -1.26 -1.27 115.29 115.58 2kk6 s HIS 63 Ca 0.50 -0.76 -0.03 0.00 -0.15 0.00 0.00 55.06 54.62 2kk6 s HIS 63 Cb -0.19 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.31 2kk6 s HIS 63 CO 0.24 -0.52 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.49 2kk6 s PHE 64 N 1.74 2.93 0.05 1.40 0.08 -0.17 -4.94 117.98 119.07 2kk6 s PHE 64 Ca 0.03 -0.86 -0.23 0.00 0.12 0.00 0.00 56.93 56.00 2kk6 s PHE 64 Cb -0.14 -2.04 -0.06 0.00 -0.57 0.00 0.00 43.02 40.21 2kk6 s PHE 64 CO -0.08 -0.45 0.68 0.42 -0.10 0.00 0.00 175.22 175.69 2kk6 s ILE 65 N 1.17 4.73 -0.25 0.64 1.01 -1.26 -0.27 121.20 126.97 2kk6 s ILE 65 Ca 0.02 1.45 -0.17 0.00 0.00 0.00 0.00 60.65 61.95 2kk6 s ILE 65 Cb -0.14 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 2kk6 s ILE 65 CO -0.02 0.44 0.49 -0.63 0.00 0.00 0.00 174.94 175.22 2kk6 s ILE 66 N -0.44 5.10 -0.00 2.92 1.01 0.21 -4.52 121.20 125.48 2kk6 s ILE 66 Ca 0.34 0.83 -0.09 0.00 0.00 0.00 0.00 60.65 61.73 2kk6 s ILE 66 Cb -0.20 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2kk6 s ILE 66 CO 0.21 0.12 0.31 -1.10 0.00 0.00 0.00 174.94 174.47 2kk6 s GLN 67 N 2.14 3.67 -0.59 2.79 1.11 0.39 -4.34 119.66 124.82 2kk6 s GLN 67 Ca 0.20 0.08 -0.18 0.00 0.01 0.00 0.00 55.36 55.47 2kk6 s GLN 67 Cb -0.16 -3.11 0.11 0.00 -1.01 0.00 0.00 33.01 28.84 2kk6 s GLN 67 CO 0.09 0.66 0.68 -0.47 0.01 0.00 0.00 175.29 176.26 2kk6 s TYR 68 N -1.22 3.05 -0.02 0.91 5.04 -1.26 -1.39 117.35 122.46 2kk6 s TYR 68 Ca 0.26 -1.04 0.03 0.00 -2.44 0.00 0.00 57.07 53.87 2kk6 s TYR 68 Cb -0.14 -3.98 -0.00 0.00 0.35 0.00 0.00 41.96 38.19 2kk6 s TYR 68 CO 0.14 -1.25 -0.09 0.08 -1.34 0.00 0.00 175.55 173.09 2kk6 s VAL 69 N 2.46 0.77 -1.46 3.14 1.01 -0.19 -4.81 120.40 121.32 2kk6 s VAL 69 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2kk6 s VAL 69 Cb -0.25 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.50 2kk6 s VAL 69 CO 0.05 0.23 0.79 0.47 0.00 0.00 0.00 175.10 176.65 2kk6 n ASP 70 N 3.12 -5.32 -1.06 3.32 8.00 -1.26 -0.82 116.55 122.53 2kk6 n ASP 70 Ca -0.16 -0.49 -0.14 0.00 0.71 0.00 0.00 54.79 54.71 2kk6 n ASP 70 Cb 0.55 -4.27 -0.06 0.00 -0.02 0.00 0.00 41.12 37.32 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 -2.65 -5.34 -4.29 -2.24 3.02 -1.26 -4.98 115.26 97.52 2kk6 n ASN 71 Ca -0.03 0.34 -0.19 0.00 -0.03 0.00 0.00 54.58 54.68 2kk6 n ASN 71 Cb 0.57 -4.06 -0.11 0.00 -0.61 0.00 0.00 39.78 35.57 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 -3.11 1.18 -0.20 3.52 -1.94 -0.00 -4.72 119.30 114.02 2kk6 s MET 72 Ca 0.00 -1.41 -0.09 0.00 -1.71 0.00 0.00 55.69 52.48 2kk6 s MET 72 Cb 0.00 -1.04 -0.05 0.00 2.01 0.00 0.00 34.83 35.76 2kk6 s MET 72 CO 0.00 0.19 0.11 0.71 -0.01 0.00 0.00 175.02 176.02 2kk6 s TYR 73 N -2.50 3.33 0.11 -0.03 2.02 -0.04 -1.02 117.35 119.22 2kk6 s TYR 73 Ca 0.15 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 57.08 2kk6 s TYR 73 Cb -0.03 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2kk6 s TYR 73 CO 0.05 0.19 -0.05 -0.98 -1.57 0.00 0.00 175.55 173.18 2kk6 s ARG 74 N 0.52 0.87 -0.08 -0.62 1.70 -0.49 -0.90 118.95 119.96 2kk6 s ARG 74 Ca 0.06 -1.36 -0.10 0.00 -0.47 0.00 0.00 55.73 53.86 2kk6 s ARG 74 Cb -0.12 -0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.02 2kk6 s ARG 74 CO -0.00 -0.04 -0.20 1.19 -1.08 0.00 0.00 175.30 175.17 2kk6 n PHE 75 N -0.07 0.00 -0.03 5.89 3.72 -1.26 -0.46 117.46 125.25 2kk6 n PHE 75 Ca -0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.24 2kk6 n PHE 75 Cb 0.61 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -3.79 0.13 0.00 -1.08 4.07 -1.26 -4.77 120.64 113.93 2kk6 n GLU 76 Ca -0.08 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2kk6 n GLU 76 Cb 0.30 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.71 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 3.02 2.67 3.71 8.31 0.00 -1.26 -5.09 105.19 116.55 2kk6 n GLY 77 Ca -0.10 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 2.44 2.30 0.45 2.61 2.01 -1.26 -4.81 115.64 119.39 2kk6 s THR 78 Ca 0.00 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 2kk6 s THR 78 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.45 2kk6 s THR 78 CO 0.00 0.01 0.64 -0.83 -0.69 0.00 0.00 174.62 173.75 2kk6 s GLY 79 N 1.62 1.77 0.16 4.40 0.00 -1.26 -4.70 107.32 109.30 2kk6 s GLY 79 Ca 0.76 -1.40 0.11 0.00 0.00 0.00 0.00 44.72 44.19 2kk6 s GLY 79 CO 0.33 -1.20 -0.23 -1.36 0.00 0.00 0.00 173.10 170.64 2kk6 s PHE 80 N -2.50 2.38 0.64 1.90 0.40 -0.07 -4.72 117.98 116.01 2kk6 s PHE 80 Ca 0.53 -0.34 0.37 0.00 -0.60 0.00 0.00 56.93 56.89 2kk6 s PHE 80 Cb -0.10 -1.23 2.10 0.00 0.51 0.00 0.00 43.02 44.30 2kk6 s PHE 80 CO 0.35 0.42 2.26 0.77 0.70 0.00 0.00 175.22 179.72 2kk6 h SER 81 N 3.51 0.00 -4.11 1.36 0.02 -1.89 -0.07 113.55 112.37 2kk6 h SER 81 Ca -0.49 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.24 2kk6 h SER 81 Cb 1.19 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.47 2kk6 h SER 81 CO 0.45 0.00 -0.72 0.20 -1.14 0.00 0.00 176.83 175.62 2kk6 s ASN 82 N -5.38 0.16 0.14 3.07 0.01 -1.26 -4.83 114.94 106.86 2kk6 s ASN 82 Ca -0.05 -0.16 -0.19 0.00 -0.71 0.00 0.00 52.86 51.75 2kk6 s ASN 82 Cb 0.13 0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.81 2kk6 s ASN 82 CO 0.44 -0.08 1.69 0.40 -1.51 0.00 0.00 177.10 178.05 2kk6 h ILE 83 N 4.98 0.75 -0.86 0.60 2.04 -1.93 -0.99 117.51 122.10 2kk6 h ILE 83 Ca -0.27 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.74 2kk6 h ILE 83 Cb 1.21 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 2kk6 h ILE 83 CO 0.48 0.00 0.56 1.55 0.00 0.00 0.00 178.15 180.74 2kk6 h PRO 84 N -0.00 0.60 -0.02 2.37 0.13 -1.97 -1.65 132.00 131.46 2kk6 h PRO 84 Ca 0.12 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 65.05 2kk6 h PRO 84 Cb 0.18 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 2kk6 h PRO 84 CO -0.26 0.40 -0.74 1.96 -0.23 0.00 0.00 178.00 179.13 2kk6 h GLN 85 N 0.62 0.16 0.53 0.86 1.08 -1.77 0.58 115.11 117.18 2kk6 h GLN 85 Ca 0.43 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2kk6 h GLN 85 Cb 0.76 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2kk6 h GLN 85 CO -0.19 0.83 -0.31 1.25 -0.95 0.00 0.00 178.83 179.47 2kk6 h LEU 86 N 0.11 -0.76 -0.27 1.46 5.85 -0.28 0.81 115.31 122.23 2kk6 h LEU 86 Ca -0.02 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2kk6 h LEU 86 Cb 1.30 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2kk6 h LEU 86 CO 0.11 -0.49 0.12 0.40 -0.34 0.00 0.00 178.44 178.24 2kk6 h ILE 87 N -0.79 1.16 -0.31 4.05 1.08 -1.45 -2.82 117.51 118.43 2kk6 h ILE 87 Ca -0.07 -0.46 0.07 0.00 -0.39 0.00 0.00 64.86 64.01 2kk6 h ILE 87 Cb 0.63 0.97 -0.07 0.00 -3.07 0.00 0.00 36.82 35.28 2kk6 h ILE 87 CO 0.08 0.16 -0.20 -0.78 -0.69 0.00 0.00 178.15 176.72 2kk6 h ASP 88 N 0.29 -0.65 -0.56 1.72 3.58 -0.84 0.13 116.42 120.09 2kk6 h ASP 88 Ca 0.09 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2kk6 h ASP 88 Cb 0.14 0.33 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2kk6 h ASP 88 CO -0.01 -0.23 0.33 -0.74 -2.88 0.00 0.00 179.24 175.71 2kk6 h HIS 89 N -0.16 0.75 -0.19 0.28 2.76 -0.77 0.13 115.15 117.94 2kk6 h HIS 89 Ca 0.16 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.17 2kk6 h HIS 89 Cb 0.41 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2kk6 h HIS 89 CO -0.39 0.53 -0.53 0.45 -1.30 0.00 0.00 177.93 176.69 2kk6 h HIS 90 N 0.76 0.70 -0.05 5.26 3.86 -1.23 -2.40 115.15 122.04 2kk6 h HIS 90 Ca 0.20 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2kk6 h HIS 90 Cb 0.01 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2kk6 h HIS 90 CO -0.02 0.97 -0.06 -0.92 0.86 0.00 0.00 177.93 178.76 2kk6 h TYR 91 N 0.44 0.16 -0.68 2.45 3.20 -0.36 0.19 116.97 122.38 2kk6 h TYR 91 Ca 0.01 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2kk6 h TYR 91 Cb 1.07 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.27 2kk6 h TYR 91 CO 0.04 0.60 0.32 1.79 -1.64 0.00 0.00 178.16 179.27 2kk6 h THR 92 N -0.31 1.23 0.00 1.81 1.35 -0.83 -1.51 112.91 114.64 2kk6 h THR 92 Ca 0.01 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2kk6 h THR 92 Cb 0.57 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2kk6 h THR 92 CO 0.01 0.26 0.00 0.71 -0.25 0.00 0.00 175.52 176.26 2kk6 h THR 93 N 0.94 0.00 -2.43 6.82 1.35 -1.48 -3.47 112.91 114.64 2kk6 h THR 93 Ca 0.23 -0.65 -0.37 0.00 -0.55 0.00 0.00 66.41 65.07 2kk6 h THR 93 Cb 0.12 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 2kk6 h THR 93 CO -0.03 0.00 -0.46 1.17 -0.25 0.00 0.00 175.52 175.95 2kk6 n LYS 94 N -2.81 -1.46 -2.72 4.72 3.00 0.58 -5.00 118.16 114.48 2kk6 n LYS 94 Ca 0.03 0.94 -0.24 0.00 -0.00 0.00 0.00 58.31 59.03 2kk6 n LYS 94 Cb 0.40 -5.44 0.02 0.00 0.00 0.00 0.00 35.03 30.01 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 -4.76 2.96 0.93 1.64 -1.52 -0.59 -4.79 119.66 113.53 2kk6 s GLN 95 Ca 0.00 -0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 52.97 2kk6 s GLN 95 Cb 0.00 -2.44 0.15 0.00 -0.22 0.00 0.00 33.01 30.50 2kk6 s GLN 95 CO 0.00 -0.49 1.09 0.14 -0.25 0.00 0.00 175.29 175.79 2kk6 s VAL 96 N -2.75 2.45 -0.06 1.09 -7.23 -1.26 -4.25 120.40 108.39 2kk6 s VAL 96 Ca 0.51 0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 60.80 2kk6 s VAL 96 Cb -0.10 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2kk6 s VAL 96 CO 0.41 -0.19 -0.05 0.40 -0.31 0.00 0.00 175.10 175.36 2kk6 h ILE 97 N -1.64 0.00 -4.47 -0.62 1.08 -1.33 -3.48 117.51 107.05 2kk6 h ILE 97 Ca -0.51 -0.47 -0.63 0.00 -0.39 0.00 0.00 64.86 62.86 2kk6 h ILE 97 Cb 1.30 0.00 -0.30 0.00 -3.07 0.00 0.00 36.82 34.75 2kk6 h ILE 97 CO 0.56 0.00 -0.86 0.42 -0.69 0.00 0.00 178.15 177.58 2kk6 s THR 98 N -1.46 1.73 0.41 -0.27 -4.23 -1.26 -4.64 115.64 105.93 2kk6 s THR 98 Ca -0.04 -0.94 0.28 0.00 -1.18 0.00 0.00 61.69 59.81 2kk6 s THR 98 Cb 0.01 -1.44 0.30 0.00 1.34 0.00 0.00 72.50 72.71 2kk6 s THR 98 CO 0.06 0.49 2.08 0.11 -0.54 0.00 0.00 174.62 176.82 2kk6 h LYS 99 N 5.58 0.00 -0.52 3.99 1.79 -1.97 0.21 116.57 125.65 2kk6 h LYS 99 Ca -0.40 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.06 2kk6 h LYS 99 Cb 1.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 2kk6 h LYS 99 CO 0.48 0.11 0.27 0.87 -1.08 0.00 0.00 179.45 180.09 2kk6 h LYS 100 N 0.00 0.71 0.00 3.15 1.79 -2.03 -3.32 116.57 116.87 2kk6 h LYS 100 Ca -0.00 -0.08 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 2kk6 h LYS 100 Cb 0.32 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2kk6 h LYS 100 CO 0.01 0.54 -1.49 0.45 -1.08 0.00 0.00 179.45 177.88 2kk6 n SER 101 N -4.39 3.15 -1.36 0.86 2.88 -0.94 -5.04 113.62 108.78 2kk6 n SER 101 Ca 0.04 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.47 2kk6 n SER 101 Cb 0.11 0.78 -0.01 0.00 -0.75 0.00 0.00 64.21 64.34 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 2.47 -0.12 3.74 0.46 0.00 0.69 -5.00 105.19 107.43 2kk6 n GLY 102 Ca -0.11 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.60 4.92 0.19 1.61 1.01 -1.26 -4.91 120.40 119.36 2kk6 s VAL 103 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.44 2kk6 s VAL 103 Cb -0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2kk6 s VAL 103 CO 0.00 0.34 0.19 -0.69 0.00 0.00 0.00 175.10 174.95 2kk6 s VAL 104 N 0.24 4.70 -0.34 2.92 1.01 -1.26 -0.82 120.40 126.84 2kk6 s VAL 104 Ca 0.35 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 2kk6 s VAL 104 Cb -0.18 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2kk6 s VAL 104 CO 0.19 -0.17 0.52 -0.76 0.00 0.00 0.00 175.10 174.87 2kk6 s LEU 105 N -3.35 4.30 0.04 3.92 1.43 -1.26 -4.86 118.68 118.90 2kk6 s LEU 105 Ca 0.32 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 2kk6 s LEU 105 Cb -0.10 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2kk6 s LEU 105 CO 0.25 -0.46 0.05 -1.48 0.23 0.00 0.00 176.35 174.94 2kk6 s LEU 106 N 2.40 2.01 -0.28 1.79 2.34 -1.25 -4.83 118.68 120.86 2kk6 s LEU 106 Ca 0.19 -0.67 -0.25 0.00 0.06 0.00 0.00 54.13 53.47 2kk6 s LEU 106 Cb -0.15 0.47 0.04 0.00 -0.56 0.00 0.00 46.19 45.98 2kk6 s LEU 106 CO 0.13 -0.53 0.41 -0.46 -1.06 0.00 0.00 176.35 174.85 2kk6 n ASN 107 N 0.61 -5.16 -4.77 1.48 6.94 -1.26 -3.93 115.26 109.17 2kk6 n ASN 107 Ca -0.18 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.01 2kk6 n ASN 107 Cb 0.59 -1.41 -0.01 0.00 -2.36 0.00 0.00 39.78 36.59 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 -1.79 3.78 -0.22 -0.53 0.04 -1.26 -4.15 135.00 130.87 2kk6 s PRO 108 Ca 0.24 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 2kk6 s PRO 108 Cb -0.02 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 2kk6 s PRO 108 CO 0.54 -0.53 0.20 0.42 0.04 0.00 0.00 177.00 177.67 2kk6 s ILE 109 N -1.55 5.34 0.47 0.56 -1.09 -1.21 -4.96 121.20 118.76 2kk6 s ILE 109 Ca 0.63 0.30 -0.23 0.00 -2.23 0.00 0.00 60.65 59.11 2kk6 s ILE 109 Cb -0.28 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 36.99 2kk6 s ILE 109 CO 0.34 0.36 1.27 -2.16 -1.23 0.00 0.00 174.94 173.52 2kk6 s PRO 110 N 0.87 3.61 0.29 2.79 0.04 -1.25 -3.72 135.00 137.63 2kk6 s PRO 110 Ca 0.10 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.89 2kk6 s PRO 110 Cb -0.13 -2.46 -0.10 0.00 0.04 0.00 0.00 34.50 31.85 2kk6 s PRO 110 CO 0.03 -0.75 1.44 -1.59 0.04 0.00 0.00 177.00 176.18 2kk6 s LYS 111 N -2.63 4.24 0.72 4.56 0.00 0.12 -4.94 119.74 121.81 2kk6 s LYS 111 Ca 0.64 2.36 -0.13 0.00 0.00 0.00 0.00 55.97 58.84 2kk6 s LYS 111 Cb -0.35 -3.07 0.03 0.00 0.00 0.00 0.00 37.83 34.44 2kk6 s LYS 111 CO 0.43 -0.42 1.11 -0.51 0.00 0.00 0.00 175.35 175.96 2kk6 s ASP 112 N 0.17 4.72 -0.01 0.03 1.11 -1.26 -4.93 116.67 116.50 2kk6 s ASP 112 Ca 0.57 1.94 0.07 0.00 0.18 0.00 0.00 52.55 55.31 2kk6 s ASP 112 Cb -0.43 -2.54 0.21 0.00 1.07 0.00 0.00 42.92 41.23 2kk6 s ASP 112 CO 0.48 -1.90 1.15 0.29 1.18 0.00 0.00 175.17 176.37 2kk6 n LYS 113 N -2.99 1.58 -3.32 8.23 4.01 -1.26 -4.82 118.16 119.58 2kk6 n LYS 113 Ca 0.10 -0.83 -0.46 0.00 -0.51 0.00 0.00 58.31 56.61 2kk6 n LYS 113 Cb 0.52 -1.22 -0.06 0.00 -0.51 0.00 0.00 35.03 33.77 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2kk6 s LYS 114 N -1.68 2.99 -0.01 1.97 1.02 -1.26 -4.80 119.74 117.97 2kk6 s LYS 114 Ca 0.15 -1.62 0.18 0.00 0.02 0.00 0.00 55.97 54.71 2kk6 s LYS 114 Cb 0.08 -4.26 0.54 0.00 -0.52 0.00 0.00 37.83 33.67 2kk6 s LYS 114 CO 0.10 -1.27 1.45 -2.67 -0.92 0.00 0.00 175.35 172.04 2kk6 n TRP 115 N 5.26 0.84 1.00 3.18 4.27 -1.26 -4.94 117.44 125.78 2kk6 n TRP 115 Ca -0.14 -0.51 0.12 0.00 -3.89 0.00 0.00 57.50 53.08 2kk6 n TRP 115 Cb 0.41 -0.02 0.10 0.00 -1.36 0.00 0.00 31.31 30.43 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.29 0.00 0.00 177.69 175.84