#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 0.42 2.52 3.03 0.00 -1.26 -5.13 105.19 104.78 2kk6 n GLY 2 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -3.69 -2.12 1.61 -0.00 -1.26 -4.81 115.22 104.95 2kk6 n HIS 3 Ca 0.00 1.84 -0.29 0.00 -0.00 0.00 0.00 57.72 59.27 2kk6 n HIS 3 Cb 0.00 -3.69 -0.05 0.00 -0.00 0.00 0.00 29.99 26.25 2kk6 n HIS 3 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kk6 s HIS 4 N -1.11 2.01 -0.69 4.41 0.09 -1.26 -4.90 115.29 113.83 2kk6 s HIS 4 Ca -0.10 0.30 -0.26 0.00 -0.00 0.00 0.00 55.06 55.00 2kk6 s HIS 4 Cb 0.01 -4.08 -0.02 0.00 -0.00 0.00 0.00 32.58 28.48 2kk6 s HIS 4 CO 0.69 -1.36 1.81 -3.38 -0.00 0.00 0.00 174.74 172.50 2kk6 s HIS 5 N 10.18 1.77 0.48 1.40 0.00 -1.26 -4.97 115.29 122.89 2kk6 s HIS 5 Ca 0.67 0.63 0.08 0.00 -3.00 0.00 0.00 55.06 53.44 2kk6 s HIS 5 Cb -0.01 -4.15 0.03 0.00 -4.00 0.00 0.00 32.58 24.44 2kk6 s HIS 5 CO 0.10 -2.17 0.56 -3.38 -1.00 0.00 0.00 174.74 168.85 2kk6 s HIS 6 N 8.84 2.26 -0.45 0.38 0.00 -1.26 -5.11 115.29 119.95 2kk6 s HIS 6 Ca 0.64 -0.56 0.03 0.00 -3.00 0.00 0.00 55.06 52.16 2kk6 s HIS 6 Cb -0.11 -2.23 0.13 0.00 -4.00 0.00 0.00 32.58 26.37 2kk6 s HIS 6 CO 0.15 -0.56 0.22 -3.38 -1.00 0.00 0.00 174.74 170.18 2kk6 s HIS 7 N -2.52 2.47 -1.28 0.38 -0.00 -1.26 -5.03 115.29 108.05 2kk6 s HIS 7 Ca 0.53 -2.67 -0.18 0.00 -0.00 0.00 0.00 55.06 52.74 2kk6 s HIS 7 Cb -0.06 -2.25 0.03 0.00 -0.00 0.00 0.00 32.58 30.29 2kk6 s HIS 7 CO 0.32 -0.79 1.86 -2.39 -0.00 0.00 0.00 174.74 173.75 2kk6 n HIS 8 N 3.53 4.00 -4.46 0.38 -0.00 -1.26 -4.93 115.22 112.48 2kk6 n HIS 8 Ca 0.06 -2.57 -0.26 0.00 -0.00 0.00 0.00 57.72 54.95 2kk6 n HIS 8 Cb 0.35 -2.58 -0.10 0.00 -0.00 0.00 0.00 29.99 27.66 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 4.49 4.00 0.00 4.39 0.15 -1.26 -5.16 113.70 120.31 2kk6 s SER 9 Ca 0.56 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2kk6 s SER 9 Cb 0.05 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2kk6 s SER 9 CO 0.06 -0.36 0.00 0.00 1.20 0.00 0.00 173.24 174.15 2kk6 n HIS 10 N -0.97 0.00 -1.67 3.44 -0.00 -1.26 -5.08 115.22 109.67 2kk6 n HIS 10 Ca -0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.25 2kk6 n HIS 10 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.60 2kk6 n HIS 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kk6 n MET 11 N 0.00 2.71 -3.81 -1.40 -0.00 -1.26 -4.99 117.12 108.37 2kk6 n MET 11 Ca 0.00 0.99 -0.21 0.00 -0.00 0.00 0.00 57.70 58.49 2kk6 n MET 11 Cb 0.00 -2.90 -0.02 0.00 -0.00 0.00 0.00 33.22 30.29 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 3.66 3.11 0.97 3.17 1.02 -1.26 -5.12 119.74 125.29 2kk6 s LYS 12 Ca 0.87 -0.99 -0.11 0.00 0.02 0.00 0.00 55.97 55.75 2kk6 s LYS 12 Cb -0.50 -2.73 0.17 0.00 -0.52 0.00 0.00 37.83 34.25 2kk6 s LYS 12 CO 0.42 0.25 1.09 -1.25 -0.92 0.00 0.00 175.35 174.94 2kk6 s PRO 13 N -4.02 0.63 0.18 -1.68 0.04 -1.26 -4.85 135.00 124.05 2kk6 s PRO 13 Ca 0.38 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.32 2kk6 s PRO 13 Cb -0.08 -1.72 0.13 0.00 0.04 0.00 0.00 34.50 32.86 2kk6 s PRO 13 CO 0.28 -2.73 1.80 1.25 0.04 0.00 0.00 177.00 177.65 2kk6 h LEU 14 N -1.91 0.44 -1.95 -3.56 5.85 -1.99 -2.03 115.31 110.15 2kk6 h LEU 14 Ca -0.51 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2kk6 h LEU 14 Cb 1.29 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2kk6 h LEU 14 CO 0.50 0.31 -0.10 0.00 -0.34 0.00 0.00 178.44 178.80 2kk6 h ALA 15 N 1.26 1.25 -0.01 1.25 0.00 -1.97 -1.90 119.26 119.14 2kk6 h ALA 15 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kk6 h ALA 15 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kk6 h ALA 15 CO -0.13 0.13 -0.25 0.39 0.00 0.00 0.00 179.25 179.39 2kk6 n GLU 16 N -3.58 1.11 -2.05 0.00 -0.58 -0.79 -4.91 120.64 109.84 2kk6 n GLU 16 Ca -0.02 -0.74 -0.42 0.00 -0.42 0.00 0.00 57.16 55.56 2kk6 n GLU 16 Cb 0.23 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.39 4.22 0.58 3.49 -1.52 -0.71 -4.89 119.66 118.43 2kk6 s GLN 17 Ca 0.25 2.16 0.37 0.00 -1.95 0.00 0.00 55.36 56.19 2kk6 s GLN 17 Cb 0.19 -3.69 1.67 0.00 -0.22 0.00 0.00 33.01 30.96 2kk6 s GLN 17 CO 0.49 -0.71 2.09 0.38 -0.25 0.00 0.00 175.29 177.30 2kk6 h ASP 18 N 8.45 0.00 0.02 5.90 2.03 -1.91 -0.17 116.42 130.74 2kk6 h ASP 18 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 2kk6 h ASP 18 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2kk6 h ASP 18 CO 0.93 0.00 -0.03 -2.67 -1.03 0.00 0.00 179.24 176.44 2kk6 n TRP 19 N -3.08 0.00 -3.80 4.15 4.27 -1.26 -0.92 117.44 116.80 2kk6 n TRP 19 Ca -0.00 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.26 2kk6 n TRP 19 Cb 0.24 -0.02 -0.09 0.00 -1.36 0.00 0.00 31.31 30.08 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 -2.06 3.35 -0.34 -2.67 5.04 -0.08 -1.16 117.35 119.42 2kk6 s TYR 20 Ca 0.37 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.25 2kk6 s TYR 20 Cb 0.21 -2.15 0.10 0.00 0.35 0.00 0.00 41.96 40.47 2kk6 s TYR 20 CO 0.36 0.21 0.08 -1.01 -1.34 0.00 0.00 175.55 173.85 2kk6 s HIS 21 N 0.48 2.94 0.10 4.97 3.76 -0.14 -4.80 115.29 122.61 2kk6 s HIS 21 Ca 0.06 -2.54 -0.31 0.00 -0.15 0.00 0.00 55.06 52.12 2kk6 s HIS 21 Cb -0.12 -2.45 -0.08 0.00 1.11 0.00 0.00 32.58 31.04 2kk6 s HIS 21 CO -0.00 -0.91 1.45 0.20 -0.85 0.00 0.00 174.74 174.63 2kk6 s GLY 22 N 1.09 1.83 -1.53 -2.22 0.00 -1.26 -3.84 107.32 101.39 2kk6 s GLY 22 Ca 0.11 1.15 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2kk6 s GLY 22 CO -0.14 2.48 0.00 0.00 0.00 0.00 0.00 173.10 175.44 2kk6 n ALA 23 N 4.31 -0.58 -1.87 3.20 0.00 -1.16 -4.84 120.51 119.56 2kk6 n ALA 23 Ca 0.13 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 2kk6 n ALA 23 Cb 0.42 -1.83 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -2.73 4.30 0.64 0.00 -4.36 -1.25 -4.61 121.20 113.19 2kk6 s ILE 24 Ca 0.00 1.70 -0.18 0.00 -0.26 0.00 0.00 60.65 61.91 2kk6 s ILE 24 Cb 0.00 -4.00 -0.03 0.00 1.25 0.00 0.00 42.46 39.68 2kk6 s ILE 24 CO 0.00 0.21 1.08 -2.65 0.24 0.00 0.00 174.94 173.82 2kk6 n PRO 25 N 0.74 0.90 -0.36 0.37 -0.02 -1.26 -4.66 135.00 130.71 2kk6 n PRO 25 Ca 0.00 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 2kk6 n PRO 25 Cb 0.50 -2.31 0.16 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.37 1.20 0.03 -0.52 2.43 -1.96 -2.49 114.38 113.43 2kk6 h ARG 26 Ca -0.49 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2kk6 h ARG 26 Cb 1.35 -0.27 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2kk6 h ARG 26 CO 0.51 0.79 -0.39 0.82 -1.51 0.00 0.00 179.97 180.19 2kk6 h ILE 27 N 1.24 0.19 -1.00 1.20 2.04 -1.99 -0.63 117.51 118.55 2kk6 h ILE 27 Ca 0.40 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.38 2kk6 h ILE 27 Cb 0.03 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.22 2kk6 h ILE 27 CO -0.13 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.32 2kk6 h GLU 28 N -0.57 0.94 -0.42 2.37 4.39 -1.85 0.84 114.58 120.28 2kk6 h GLU 28 Ca 0.05 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 2kk6 h GLU 28 Cb 0.64 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2kk6 h GLU 28 CO -0.29 0.62 -0.04 0.00 -1.16 0.00 0.00 179.01 178.15 2kk6 h ALA 29 N 1.55 1.14 0.11 3.43 0.00 -0.88 -2.51 119.26 122.10 2kk6 h ALA 29 Ca 0.50 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.82 2kk6 h ALA 29 Cb 0.52 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kk6 h ALA 29 CO -0.27 0.55 -1.69 -0.56 0.00 0.00 0.00 179.25 177.28 2kk6 h GLN 30 N 0.66 0.24 -0.46 0.00 3.07 -0.41 -3.35 115.11 114.85 2kk6 h GLN 30 Ca 0.13 -0.41 -0.09 0.00 0.09 0.00 0.00 58.65 58.37 2kk6 h GLN 30 Cb 0.47 0.15 -0.02 0.00 0.08 0.00 0.00 27.48 28.16 2kk6 h GLN 30 CO 0.02 1.08 -0.09 0.93 0.09 0.00 0.00 178.83 180.86 2kk6 h GLU 31 N 0.06 0.83 0.00 0.06 4.39 -0.86 -2.81 114.58 116.26 2kk6 h GLU 31 Ca -0.30 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.09 2kk6 h GLU 31 Cb 2.03 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2kk6 h GLU 31 CO 0.14 0.89 -0.16 1.37 -1.16 0.00 0.00 179.01 180.08 2kk6 h LEU 32 N 0.75 0.00 -8.69 1.33 8.10 -1.61 -3.40 115.31 111.78 2kk6 h LEU 32 Ca 0.13 0.00 -0.55 0.00 0.11 0.00 0.00 57.88 57.57 2kk6 h LEU 32 Cb 0.58 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.76 2kk6 h LEU 32 CO 0.04 0.16 1.19 -0.76 -4.11 0.00 0.00 178.44 174.96 2kk6 s LEU 33 N -6.88 3.45 -0.00 0.17 1.43 -1.06 -4.80 118.68 110.98 2kk6 s LEU 33 Ca -0.01 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2kk6 s LEU 33 Cb 0.11 -3.19 -0.00 0.00 0.03 0.00 0.00 46.19 43.14 2kk6 s LEU 33 CO 0.60 -1.77 -0.00 2.29 0.23 0.00 0.00 176.35 177.70 2kk6 n LYS 34 N 8.56 2.38 -4.34 1.70 2.85 -1.26 -5.00 118.16 123.05 2kk6 n LYS 34 Ca 0.18 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.21 2kk6 n LYS 34 Cb 0.49 -1.01 -0.11 0.00 -0.65 0.00 0.00 35.03 33.74 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 -2.01 1.29 -0.25 -1.58 -2.85 -1.26 -5.08 119.74 107.99 2kk6 s LYS 35 Ca -0.00 -1.39 -0.31 0.00 -1.00 0.00 0.00 55.97 53.27 2kk6 s LYS 35 Cb 0.00 -1.41 -0.07 0.00 -2.06 0.00 0.00 37.83 34.29 2kk6 s LYS 35 CO 0.01 0.29 2.20 0.94 0.10 0.00 0.00 175.35 178.90 2kk6 n GLN 36 N 0.39 1.71 0.00 1.78 7.27 -1.26 -2.40 117.38 124.87 2kk6 n GLN 36 Ca -0.14 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2kk6 n GLN 36 Cb 0.56 -2.98 0.00 0.00 2.41 0.00 0.00 30.24 30.24 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 5.95 4.34 3.70 1.69 0.00 -0.41 -5.02 105.19 115.44 2kk6 n GLY 37 Ca 0.33 -0.86 -0.55 0.00 0.00 0.00 0.00 46.02 44.94 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 2.57 -3.93 1.61 8.00 -1.01 -3.99 116.55 119.79 2kk6 n ASP 38 Ca 0.00 1.06 -0.10 0.00 0.71 0.00 0.00 54.79 56.46 2kk6 n ASP 38 Cb 0.00 -1.19 -0.11 0.00 -0.02 0.00 0.00 41.12 39.80 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 3.43 0.16 -0.01 1.24 -0.71 -1.26 -0.62 117.98 120.22 2kk6 s PHE 39 Ca 0.96 -0.34 -0.20 0.00 -1.04 0.00 0.00 56.93 56.31 2kk6 s PHE 39 Cb -0.98 -0.12 0.04 0.00 -1.21 0.00 0.00 43.02 40.74 2kk6 s PHE 39 CO 0.61 -0.22 0.43 -0.48 -1.34 0.00 0.00 175.22 174.22 2kk6 s LEU 40 N -1.38 0.36 -0.22 -1.99 2.34 -0.61 -2.09 118.68 115.10 2kk6 s LEU 40 Ca -0.15 0.23 -0.08 0.00 0.06 0.00 0.00 54.13 54.20 2kk6 s LEU 40 Cb -0.09 1.70 -0.04 0.00 -0.56 0.00 0.00 46.19 47.21 2kk6 s LEU 40 CO 0.00 -0.54 0.08 -0.69 -1.06 0.00 0.00 176.35 174.14 2kk6 s VAL 41 N -1.54 4.64 0.27 1.48 1.01 -0.31 -0.75 120.40 125.19 2kk6 s VAL 41 Ca -0.11 -0.07 0.12 0.00 0.00 0.00 0.00 61.98 61.91 2kk6 s VAL 41 Cb -0.03 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 2kk6 s VAL 41 CO 0.04 0.39 -0.20 0.00 0.00 0.00 0.00 175.10 175.33 2kk6 s ARG 42 N 1.03 1.65 -0.13 2.72 1.70 -0.60 -0.96 118.95 124.36 2kk6 s ARG 42 Ca 0.04 -1.74 -0.10 0.00 -0.47 0.00 0.00 55.73 53.46 2kk6 s ARG 42 Cb -0.14 -1.74 -0.05 0.00 -0.57 0.00 0.00 34.95 32.45 2kk6 s ARG 42 CO 0.03 0.33 0.21 -2.00 -1.08 0.00 0.00 175.30 172.79 2kk6 s GLU 43 N -3.44 3.84 -0.02 3.89 2.12 -1.25 -0.63 118.70 123.20 2kk6 s GLU 43 Ca 0.29 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.30 2kk6 s GLU 43 Cb -0.05 -3.29 -0.07 0.00 0.26 0.00 0.00 34.13 30.98 2kk6 s GLU 43 CO 0.14 0.55 1.77 -1.12 -0.54 0.00 0.00 175.26 176.07 2kk6 s SER 44 N -0.44 6.58 0.43 -1.70 0.01 0.47 -2.96 113.70 116.09 2kk6 s SER 44 Ca 0.15 2.39 0.10 0.00 1.31 0.00 0.00 55.95 59.91 2kk6 s SER 44 Cb -0.13 -2.53 0.93 0.00 0.21 0.00 0.00 66.02 64.50 2kk6 s SER 44 CO 0.04 -0.98 2.02 -0.74 0.41 0.00 0.00 173.24 173.99 2kk6 h HIS 45 N 9.96 0.26 -0.05 2.43 2.76 -1.83 -1.86 115.15 126.83 2kk6 h HIS 45 Ca -0.43 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2kk6 h HIS 45 Cb 1.20 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.08 2kk6 h HIS 45 CO 0.91 0.26 0.00 0.41 -1.30 0.00 0.00 177.93 178.22 2kk6 n GLY 46 N -1.22 0.72 2.74 5.26 0.00 -1.26 -4.75 105.19 106.68 2kk6 n GLY 46 Ca -0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 0.78 -0.04 1.61 2.47 -0.70 -5.11 119.74 116.79 2kk6 s LYS 47 Ca 0.32 -1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 53.24 2kk6 s LYS 47 Cb 0.20 -2.05 -0.07 0.00 -1.46 0.00 0.00 37.83 34.46 2kk6 s LYS 47 CO 0.31 -1.01 1.90 -1.25 0.16 0.00 0.00 175.35 175.46 2kk6 s PRO 48 N 1.47 4.00 0.00 4.03 0.04 -1.26 -2.18 135.00 141.11 2kk6 s PRO 48 Ca 0.11 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2kk6 s PRO 48 Cb -0.18 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2kk6 s PRO 48 CO -0.22 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.13 2kk6 n GLY 49 N 4.60 0.74 3.49 0.56 0.00 -1.26 -5.07 105.19 108.25 2kk6 n GLY 49 Ca 0.20 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.65 3.69 -0.08 1.61 2.12 -0.93 -5.05 118.70 119.41 2kk6 s GLU 50 Ca 0.00 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.88 2kk6 s GLU 50 Cb 0.00 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 2kk6 s GLU 50 CO 0.00 0.13 -0.24 0.71 -0.54 0.00 0.00 175.26 175.32 2kk6 s TYR 51 N 0.69 2.52 -0.11 5.30 1.51 -1.26 -0.39 117.35 125.60 2kk6 s TYR 51 Ca -0.00 -0.87 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 2kk6 s TYR 51 Cb -0.14 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.06 2kk6 s TYR 51 CO 0.02 -0.31 -0.17 0.08 -1.11 0.00 0.00 175.55 174.06 2kk6 s VAL 52 N 0.10 1.65 -0.12 0.71 1.01 0.19 -1.26 120.40 122.68 2kk6 s VAL 52 Ca -0.11 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.90 2kk6 s VAL 52 Cb -0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2kk6 s VAL 52 CO 0.06 0.47 0.69 -0.22 0.00 0.00 0.00 175.10 176.11 2kk6 s LEU 53 N 0.90 4.24 -0.27 3.92 2.96 0.59 -1.55 118.68 129.47 2kk6 s LEU 53 Ca -0.08 1.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 2kk6 s LEU 53 Cb -0.15 -3.04 0.06 0.00 0.50 0.00 0.00 46.19 43.56 2kk6 s LEU 53 CO -0.01 -0.21 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.30 2kk6 s SER 54 N 0.96 4.59 -0.01 3.68 0.01 0.07 -0.70 113.70 122.30 2kk6 s SER 54 Ca 0.35 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 56.29 2kk6 s SER 54 Cb -0.17 -1.60 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 2kk6 s SER 54 CO 0.14 -0.22 -0.18 0.54 0.41 0.00 0.00 173.24 173.94 2kk6 s VAL 55 N 1.14 1.41 -0.36 3.43 0.11 -0.12 -1.57 120.40 124.45 2kk6 s VAL 55 Ca -0.07 -0.76 -0.21 0.00 -2.93 0.00 0.00 61.98 58.01 2kk6 s VAL 55 Cb -0.20 -1.17 0.00 0.00 -1.53 0.00 0.00 36.38 33.48 2kk6 s VAL 55 CO -0.04 0.40 0.66 -0.47 -3.33 0.00 0.00 175.10 172.32 2kk6 s TYR 56 N -0.40 3.15 -0.06 1.54 6.14 0.21 -0.22 117.35 127.71 2kk6 s TYR 56 Ca 0.06 0.39 -0.02 0.00 0.64 0.00 0.00 57.07 58.14 2kk6 s TYR 56 Cb -0.07 -3.18 0.04 0.00 0.42 0.00 0.00 41.96 39.17 2kk6 s TYR 56 CO -0.01 -0.64 0.12 0.45 0.64 0.00 0.00 175.55 176.12 2kk6 s SER 57 N 1.80 0.23 -1.49 4.32 0.15 -0.48 -1.29 113.70 116.93 2kk6 s SER 57 Ca 0.26 0.25 -0.06 0.00 0.70 0.00 0.00 55.95 57.09 2kk6 s SER 57 Cb -0.14 0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2kk6 s SER 57 CO 0.15 -0.18 0.83 -0.67 1.20 0.00 0.00 173.24 174.57 2kk6 n ASP 58 N 4.57 -6.27 0.00 5.45 2.03 -1.26 -1.61 116.55 119.47 2kk6 n ASP 58 Ca -0.19 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 54.73 2kk6 n ASP 58 Cb 0.51 -5.01 0.00 0.00 -0.72 0.00 0.00 41.12 35.90 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk6 n GLY 59 N -1.72 2.67 3.88 0.27 0.00 -1.26 -5.01 105.19 104.02 2kk6 n GLY 59 Ca -0.07 0.00 -0.36 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 -0.20 3.49 -0.65 1.61 -0.21 -0.63 -5.05 119.66 118.01 2kk6 s GLN 60 Ca 0.00 -0.14 -0.26 0.00 0.02 0.00 0.00 55.36 54.98 2kk6 s GLN 60 Cb 0.00 -3.15 0.04 0.00 1.00 0.00 0.00 33.01 30.90 2kk6 s GLN 60 CO 0.00 0.73 1.12 1.03 -2.12 0.00 0.00 175.29 176.05 2kk6 s ARG 61 N -1.39 3.26 -0.20 2.91 3.00 -1.26 -1.38 118.95 123.88 2kk6 s ARG 61 Ca 0.21 -0.29 -0.24 0.00 0.00 0.00 0.00 55.73 55.41 2kk6 s ARG 61 Cb -0.13 -4.13 -0.01 0.00 0.00 0.00 0.00 34.95 30.68 2kk6 s ARG 61 CO 0.10 -1.85 0.77 1.03 0.00 0.00 0.00 175.30 175.36 2kk6 s ARG 62 N 4.83 4.23 -0.22 3.54 1.81 0.69 -4.90 118.95 128.93 2kk6 s ARG 62 Ca 0.33 0.88 -0.01 0.00 -1.72 0.00 0.00 55.73 55.20 2kk6 s ARG 62 Cb -0.11 -3.60 0.02 0.00 -0.45 0.00 0.00 34.95 30.81 2kk6 s ARG 62 CO 0.17 -0.37 -0.10 -1.01 -0.68 0.00 0.00 175.30 173.31 2kk6 s HIS 63 N 2.33 2.96 -0.15 -0.53 3.76 -1.26 -0.94 115.29 121.46 2kk6 s HIS 63 Ca 0.34 -1.45 -0.00 0.00 -0.15 0.00 0.00 55.06 53.80 2kk6 s HIS 63 Cb -0.16 -2.02 -0.01 0.00 1.11 0.00 0.00 32.58 31.50 2kk6 s HIS 63 CO 0.10 -0.71 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.09 2kk6 s PHE 64 N 1.35 2.81 0.14 1.40 0.08 0.12 -4.93 117.98 118.95 2kk6 s PHE 64 Ca 0.03 -0.84 -0.18 0.00 0.12 0.00 0.00 56.93 56.06 2kk6 s PHE 64 Cb -0.15 -1.89 -0.07 0.00 -0.57 0.00 0.00 43.02 40.34 2kk6 s PHE 64 CO -0.07 -0.36 0.62 0.42 -0.10 0.00 0.00 175.22 175.73 2kk6 s ILE 65 N 0.65 4.71 -0.30 0.64 1.01 -1.26 -0.30 121.20 126.35 2kk6 s ILE 65 Ca -0.07 1.13 -0.18 0.00 0.00 0.00 0.00 60.65 61.52 2kk6 s ILE 65 Cb -0.16 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 2kk6 s ILE 65 CO 0.02 0.35 0.52 -0.63 0.00 0.00 0.00 174.94 175.20 2kk6 s ILE 66 N -1.35 5.04 -0.02 2.92 1.01 -0.39 -4.46 121.20 123.94 2kk6 s ILE 66 Ca 0.36 0.64 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 2kk6 s ILE 66 Cb -0.17 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2kk6 s ILE 66 CO 0.20 -0.05 0.36 -1.10 0.00 0.00 0.00 174.94 174.34 2kk6 s GLN 67 N 2.36 3.83 -0.62 2.79 1.11 0.71 -4.62 119.66 125.22 2kk6 s GLN 67 Ca 0.20 0.31 -0.16 0.00 0.01 0.00 0.00 55.36 55.71 2kk6 s GLN 67 Cb -0.15 -3.22 0.14 0.00 -1.01 0.00 0.00 33.01 28.77 2kk6 s GLN 67 CO 0.11 0.70 0.62 -0.47 0.01 0.00 0.00 175.29 176.27 2kk6 s TYR 68 N -1.04 3.28 -0.09 0.91 5.04 -1.26 -1.08 117.35 123.11 2kk6 s TYR 68 Ca 0.22 -1.35 0.03 0.00 -2.44 0.00 0.00 57.07 53.53 2kk6 s TYR 68 Cb -0.16 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.29 2kk6 s TYR 68 CO 0.11 -1.10 -0.17 0.08 -1.34 0.00 0.00 175.55 173.13 2kk6 s VAL 69 N 1.63 1.58 -1.52 3.14 1.01 -0.24 -4.77 120.40 121.22 2kk6 s VAL 69 Ca 0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 2kk6 s VAL 69 Cb -0.24 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 34.82 2kk6 s VAL 69 CO 0.01 0.45 0.80 0.47 0.00 0.00 0.00 175.10 176.84 2kk6 n ASP 70 N 3.81 -3.17 -1.42 3.32 9.92 -1.26 -0.72 116.55 127.03 2kk6 n ASP 70 Ca -0.21 -0.88 -0.17 0.00 -0.53 0.00 0.00 54.79 53.00 2kk6 n ASP 70 Cb 0.52 -3.49 -0.06 0.00 -0.64 0.00 0.00 41.12 37.45 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 -2.85 -5.05 -4.04 -2.24 3.02 -1.26 -4.99 115.26 97.85 2kk6 n ASN 71 Ca -0.06 0.35 -0.25 0.00 -0.03 0.00 0.00 54.58 54.59 2kk6 n ASN 71 Cb 0.57 -4.07 -0.16 0.00 -0.61 0.00 0.00 39.78 35.50 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 -3.69 1.68 -0.06 3.52 -1.94 0.10 -4.20 119.30 114.72 2kk6 s MET 72 Ca 0.00 -0.44 -0.27 0.00 -1.71 0.00 0.00 55.69 53.28 2kk6 s MET 72 Cb 0.00 -1.40 -0.03 0.00 2.01 0.00 0.00 34.83 35.41 2kk6 s MET 72 CO 0.00 0.06 0.85 0.71 -0.01 0.00 0.00 175.02 176.63 2kk6 s TYR 73 N 0.54 3.57 0.04 -0.03 2.02 0.15 -1.08 117.35 122.56 2kk6 s TYR 73 Ca -0.13 1.44 -0.02 0.00 -0.37 0.00 0.00 57.07 57.99 2kk6 s TYR 73 Cb -0.15 -2.98 -0.02 0.00 -0.40 0.00 0.00 41.96 38.41 2kk6 s TYR 73 CO 0.03 -0.03 0.01 -0.98 -1.57 0.00 0.00 175.55 173.01 2kk6 s ARG 74 N 1.21 0.50 -0.22 -0.62 1.70 -0.24 -0.72 118.95 120.55 2kk6 s ARG 74 Ca 0.44 -0.86 0.13 0.00 -0.47 0.00 0.00 55.73 54.96 2kk6 s ARG 74 Cb -0.19 0.18 -0.22 0.00 -0.57 0.00 0.00 34.95 34.15 2kk6 s ARG 74 CO 0.21 -0.10 -0.03 1.19 -1.08 0.00 0.00 175.30 175.48 2kk6 n PHE 75 N 0.84 0.00 0.00 5.89 3.72 -1.26 -0.21 117.46 126.44 2kk6 n PHE 75 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2kk6 n PHE 75 Cb 0.58 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 -2.92 0.00 0.00 -1.08 2.13 -1.26 -4.81 120.64 112.71 2kk6 n GLU 76 Ca -0.37 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.41 2kk6 n GLU 76 Cb 1.10 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.80 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 2.58 -0.15 3.81 8.31 0.00 -1.26 -5.05 105.19 113.44 2kk6 n GLY 77 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.20 4.20 0.25 2.61 -1.32 -1.26 -4.97 115.64 112.96 2kk6 s THR 78 Ca -0.08 1.35 -0.11 0.00 -1.21 0.00 0.00 61.69 61.65 2kk6 s THR 78 Cb 0.02 -3.56 0.04 0.00 -1.51 0.00 0.00 72.50 67.49 2kk6 s THR 78 CO 0.11 -0.32 0.56 0.61 -2.21 0.00 0.00 174.62 173.38 2kk6 n GLY 79 N -0.57 1.24 3.11 6.08 0.00 -1.26 -4.17 105.19 109.62 2kk6 n GLY 79 Ca 0.08 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 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 -4.18 1.05 -0.29 1.61 0.40 0.10 -4.85 117.98 111.82 2kk6 s PHE 80 Ca 0.11 -0.36 0.21 0.00 -0.60 0.00 0.00 56.93 56.30 2kk6 s PHE 80 Cb -0.03 -0.63 1.08 0.00 0.51 0.00 0.00 43.02 43.95 2kk6 s PHE 80 CO 0.08 0.01 1.63 0.43 0.70 0.00 0.00 175.22 178.07 2kk6 n SER 81 N 1.91 0.54 -4.03 1.36 7.64 -1.26 0.33 113.62 120.11 2kk6 n SER 81 Ca -0.18 0.73 -0.24 0.00 1.01 0.00 0.00 58.87 60.19 2kk6 n SER 81 Cb 0.55 -0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 2kk6 n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2kk6 s ASN 82 N -4.00 1.69 0.16 6.43 0.01 -1.26 -4.63 114.94 113.34 2kk6 s ASN 82 Ca -0.01 -0.28 -0.15 0.00 -0.71 0.00 0.00 52.86 51.70 2kk6 s ASN 82 Cb 0.06 -0.68 0.08 0.00 0.41 0.00 0.00 41.25 41.11 2kk6 s ASN 82 CO 0.22 0.05 1.76 0.40 -1.51 0.00 0.00 177.10 178.02 2kk6 h ILE 83 N 5.77 0.92 -0.88 0.60 2.04 -1.93 0.38 117.51 124.40 2kk6 h ILE 83 Ca -0.32 -0.12 0.15 0.00 1.00 0.00 0.00 64.86 65.58 2kk6 h ILE 83 Cb 1.18 0.55 -0.10 0.00 -0.74 0.00 0.00 36.82 37.72 2kk6 h ILE 83 CO 0.48 0.06 0.47 1.55 0.00 0.00 0.00 178.15 180.71 2kk6 h PRO 84 N 0.34 0.64 -0.11 2.37 0.13 -1.96 -1.89 132.00 131.52 2kk6 h PRO 84 Ca 0.18 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.09 2kk6 h PRO 84 Cb 0.13 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.11 2kk6 h PRO 84 CO -0.16 0.42 -0.68 1.96 -0.23 0.00 0.00 178.00 179.31 2kk6 h GLN 85 N 0.66 0.47 0.09 0.86 1.08 -1.80 0.03 115.11 116.50 2kk6 h GLN 85 Ca 0.49 -0.36 0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2kk6 h GLN 85 Cb 0.69 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.15 2kk6 h GLN 85 CO -0.36 0.98 -0.24 1.25 -0.95 0.00 0.00 178.83 179.50 2kk6 h LEU 86 N 0.33 -0.70 -0.08 1.46 5.85 -0.19 0.99 115.31 122.97 2kk6 h LEU 86 Ca -0.02 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2kk6 h LEU 86 Cb 1.25 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2kk6 h LEU 86 CO 0.12 -0.33 -0.14 0.40 -0.34 0.00 0.00 178.44 178.15 2kk6 h ILE 87 N -0.43 1.40 -0.17 4.05 1.08 -1.40 -2.74 117.51 119.30 2kk6 h ILE 87 Ca 0.04 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.13 2kk6 h ILE 87 Cb 0.47 2.15 -0.04 0.00 -3.07 0.00 0.00 36.82 36.33 2kk6 h ILE 87 CO -0.16 0.40 -0.09 -0.78 -0.69 0.00 0.00 178.15 176.83 2kk6 h ASP 88 N -0.23 -0.28 -0.69 1.72 3.58 -0.97 0.13 116.42 119.68 2kk6 h ASP 88 Ca 0.00 0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2kk6 h ASP 88 Cb 0.71 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2kk6 h ASP 88 CO 0.03 -0.11 0.29 -0.74 -2.88 0.00 0.00 179.24 175.83 2kk6 h HIS 89 N -0.07 1.05 -0.34 0.28 2.76 -0.88 -0.49 115.15 117.46 2kk6 h HIS 89 Ca 0.09 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 2kk6 h HIS 89 Cb 0.21 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.84 2kk6 h HIS 89 CO -0.23 0.80 -0.20 0.45 -1.30 0.00 0.00 177.93 177.44 2kk6 h HIS 90 N 1.02 0.85 -0.10 5.26 3.86 -1.14 -2.46 115.15 122.44 2kk6 h HIS 90 Ca 0.24 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2kk6 h HIS 90 Cb 0.18 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 2kk6 h HIS 90 CO 0.02 0.95 0.01 -0.92 0.86 0.00 0.00 177.93 178.85 2kk6 h TYR 91 N 0.50 0.18 -0.47 2.45 3.20 -0.44 0.27 116.97 122.66 2kk6 h TYR 91 Ca 0.07 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2kk6 h TYR 91 Cb 0.75 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2kk6 h TYR 91 CO 0.06 0.40 0.23 1.79 -1.64 0.00 0.00 178.16 179.01 2kk6 h THR 92 N -0.09 1.18 0.00 1.81 1.35 -1.18 -2.36 112.91 113.62 2kk6 h THR 92 Ca 0.03 -0.51 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 2kk6 h THR 92 Cb 0.32 0.65 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2kk6 h THR 92 CO 0.00 0.20 -0.12 0.71 -0.25 0.00 0.00 175.52 176.07 2kk6 h THR 93 N 0.62 0.25 -2.90 6.82 1.35 -1.43 -3.47 112.91 114.15 2kk6 h THR 93 Ca 0.16 -0.99 -0.34 0.00 -0.55 0.00 0.00 66.41 64.69 2kk6 h THR 93 Cb 0.10 1.80 0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2kk6 h THR 93 CO -0.02 0.11 -0.47 1.17 -0.25 0.00 0.00 175.52 176.07 2kk6 n LYS 94 N -3.19 -2.25 -3.80 4.72 3.00 0.90 -5.00 118.16 112.54 2kk6 n LYS 94 Ca 0.01 0.82 -0.32 0.00 -0.00 0.00 0.00 58.31 58.83 2kk6 n LYS 94 Cb 0.44 -5.31 -0.04 0.00 0.00 0.00 0.00 35.03 30.12 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 -5.07 3.53 0.74 1.64 -0.44 -0.88 -4.84 119.66 114.33 2kk6 s GLN 95 Ca 0.08 -0.26 -0.15 0.00 -2.50 0.00 0.00 55.36 52.53 2kk6 s GLN 95 Cb -0.04 -2.96 0.03 0.00 -1.64 0.00 0.00 33.01 28.40 2kk6 s GLN 95 CO 0.10 0.56 1.18 1.33 0.50 0.00 0.00 175.29 178.95 2kk6 n VAL 96 N 0.30 3.18 0.00 1.34 0.24 -1.26 -4.60 118.33 117.54 2kk6 n VAL 96 Ca -0.05 -0.34 -0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2kk6 n VAL 96 Cb 0.51 -1.27 -0.00 0.00 -1.47 0.00 0.00 33.84 31.61 2kk6 n VAL 96 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2kk6 h ILE 97 N -0.28 0.00 -4.17 1.34 1.08 -1.42 -3.47 117.51 110.59 2kk6 h ILE 97 Ca -0.48 -0.02 -0.69 0.00 -0.39 0.00 0.00 64.86 63.28 2kk6 h ILE 97 Cb 1.32 0.00 -0.28 0.00 -3.07 0.00 0.00 36.82 34.79 2kk6 h ILE 97 CO 0.48 0.00 -0.85 0.42 -0.69 0.00 0.00 178.15 177.52 2kk6 s THR 98 N -1.61 2.41 -0.22 -0.27 -4.23 -1.26 -4.75 115.64 105.71 2kk6 s THR 98 Ca -0.00 -0.95 0.28 0.00 -1.18 0.00 0.00 61.69 59.84 2kk6 s THR 98 Cb 0.00 -1.90 0.32 0.00 1.34 0.00 0.00 72.50 72.27 2kk6 s THR 98 CO 0.01 0.58 1.84 0.11 -0.54 0.00 0.00 174.62 176.61 2kk6 h LYS 99 N 5.71 0.00 0.00 3.99 6.56 -1.98 0.17 116.57 131.02 2kk6 h LYS 99 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2kk6 h LYS 99 Cb 1.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 2kk6 h LYS 99 CO 0.49 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.51 2kk6 n LYS 100 N -2.68 0.19 0.05 3.15 5.02 -1.26 -4.26 118.16 118.37 2kk6 n LYS 100 Ca 0.02 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 2kk6 n LYS 100 Cb 0.29 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 2kk6 n LYS 100 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2kk6 n SER 101 N -2.27 0.92 0.00 4.39 3.41 -0.57 -5.07 113.62 114.44 2kk6 n SER 101 Ca 0.01 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2kk6 n SER 101 Cb 0.20 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 3.30 1.09 3.77 5.00 0.00 0.48 -5.06 105.19 113.77 2kk6 n GLY 102 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 4.55 0.15 1.61 1.01 -1.26 -4.89 120.40 119.57 2kk6 s VAL 103 Ca 0.00 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.64 2kk6 s VAL 103 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2kk6 s VAL 103 CO 0.00 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 2kk6 s VAL 104 N -0.77 3.89 -0.27 2.92 1.01 -1.26 -1.02 120.40 124.90 2kk6 s VAL 104 Ca 0.35 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 2kk6 s VAL 104 Cb -0.22 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2kk6 s VAL 104 CO 0.24 -0.06 0.50 -0.76 0.00 0.00 0.00 175.10 175.02 2kk6 s LEU 105 N -2.83 4.08 0.02 3.92 1.43 -1.26 -4.92 118.68 119.12 2kk6 s LEU 105 Ca 0.28 0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.74 2kk6 s LEU 105 Cb -0.10 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 2kk6 s LEU 105 CO 0.19 -0.30 0.09 -1.48 0.23 0.00 0.00 176.35 175.09 2kk6 s LEU 106 N 2.29 1.76 -0.15 1.79 2.34 -1.26 -4.79 118.68 120.67 2kk6 s LEU 106 Ca 0.20 -0.36 -0.12 0.00 0.06 0.00 0.00 54.13 53.91 2kk6 s LEU 106 Cb -0.16 0.55 0.02 0.00 -0.56 0.00 0.00 46.19 46.04 2kk6 s LEU 106 CO 0.10 -0.40 0.21 -0.46 -1.06 0.00 0.00 176.35 174.73 2kk6 n ASN 107 N 1.27 -6.31 -4.76 1.48 6.94 -1.26 -4.15 115.26 108.47 2kk6 n ASN 107 Ca -0.22 0.27 -0.41 0.00 -0.02 0.00 0.00 54.58 54.21 2kk6 n ASN 107 Cb 0.56 -1.77 -0.03 0.00 -2.36 0.00 0.00 39.78 36.18 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 -1.47 4.50 -0.23 -0.53 0.04 -1.26 -3.99 135.00 132.06 2kk6 s PRO 108 Ca 0.12 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2kk6 s PRO 108 Cb -0.01 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2kk6 s PRO 108 CO 0.30 0.00 1.58 0.42 0.04 0.00 0.00 177.00 179.34 2kk6 s ILE 109 N -1.02 3.75 0.18 0.56 -1.09 -0.89 -4.94 121.20 117.75 2kk6 s ILE 109 Ca 0.47 0.84 -0.32 0.00 -2.23 0.00 0.00 60.65 59.41 2kk6 s ILE 109 Cb -0.36 -3.76 -0.16 0.00 -1.58 0.00 0.00 42.46 36.61 2kk6 s ILE 109 CO 0.46 -0.31 1.15 -2.65 -1.23 0.00 0.00 174.94 172.35 2kk6 n PRO 110 N 7.61 1.18 -2.29 2.79 -0.02 -1.26 -4.43 135.00 138.58 2kk6 n PRO 110 Ca 0.18 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.73 2kk6 n PRO 110 Cb 0.45 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2kk6 n PRO 110 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kk6 s LYS 111 N -0.47 3.48 -0.31 -0.52 2.20 -0.10 -4.92 119.74 119.09 2kk6 s LYS 111 Ca 0.72 1.61 -0.29 0.00 -0.36 0.00 0.00 55.97 57.65 2kk6 s LYS 111 Cb -0.84 -2.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.33 2kk6 s LYS 111 CO 0.53 -0.75 2.27 -0.25 -0.36 0.00 0.00 175.35 176.79 2kk6 n ASP 112 N -1.12 2.85 -0.15 1.43 9.92 -1.26 -4.86 116.55 123.37 2kk6 n ASP 112 Ca 0.11 0.07 -0.11 0.00 -0.53 0.00 0.00 54.79 54.33 2kk6 n ASP 112 Cb 0.51 -1.51 -0.01 0.00 -0.64 0.00 0.00 41.12 39.46 2kk6 n ASP 112 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2kk6 h LYS 113 N 15.70 0.79 -3.02 -1.24 1.79 -2.02 -3.45 116.57 125.13 2kk6 h LYS 113 Ca -0.35 -0.28 -0.16 0.00 -2.18 0.00 0.00 60.65 57.68 2kk6 h LYS 113 Cb 1.26 -0.06 -0.26 0.00 -1.58 0.00 0.00 32.23 31.59 2kk6 h LYS 113 CO 1.02 0.89 -0.40 -1.59 -1.08 0.00 0.00 179.45 178.29 2kk6 s LYS 114 N -4.88 0.30 -0.03 3.15 -2.85 -1.26 -5.02 119.74 109.15 2kk6 s LYS 114 Ca -0.12 0.45 0.08 0.00 -1.00 0.00 0.00 55.97 55.38 2kk6 s LYS 114 Cb 0.11 0.08 0.29 0.00 -2.06 0.00 0.00 37.83 36.25 2kk6 s LYS 114 CO 0.82 -0.08 1.15 0.91 0.10 0.00 0.00 175.35 178.25 2kk6 n TRP 115 N 3.32 0.56 1.89 1.78 7.02 -1.26 -5.26 117.44 125.49 2kk6 n TRP 115 Ca -0.16 -0.24 0.16 0.00 -1.02 0.00 0.00 57.50 56.24 2kk6 n TRP 115 Cb 0.57 -0.09 0.86 0.00 -2.42 0.00 0.00 31.31 30.22 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78