#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 0.78 3.50 -5.12 0.00 -1.26 -5.05 105.19 98.04 2kk6 n GLY 2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 1.03 2.99 0.17 1.61 0.09 -1.26 -5.12 115.29 114.81 2kk6 s HIS 3 Ca 0.00 -0.29 0.03 0.00 -0.00 0.00 0.00 55.06 54.80 2kk6 s HIS 3 Cb 0.00 -1.91 -0.03 0.00 -0.00 0.00 0.00 32.58 30.64 2kk6 s HIS 3 CO 0.00 -0.00 0.29 -1.01 -0.00 0.00 0.00 174.74 174.02 2kk6 s HIS 4 N 0.19 3.45 -1.56 1.40 4.02 -1.26 -5.00 115.29 116.53 2kk6 s HIS 4 Ca -0.03 0.07 0.14 0.00 1.02 0.00 0.00 55.06 56.27 2kk6 s HIS 4 Cb -0.14 -1.63 0.50 0.00 -1.02 0.00 0.00 32.58 30.29 2kk6 s HIS 4 CO 0.03 0.50 1.39 1.58 1.02 0.00 0.00 174.74 179.26 2kk6 n HIS 5 N -0.75 0.93 -2.08 1.40 -0.00 -1.26 -4.94 115.22 108.52 2kk6 n HIS 5 Ca -0.08 -0.40 -0.41 0.00 -0.00 0.00 0.00 57.72 56.84 2kk6 n HIS 5 Cb 0.55 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.40 2kk6 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 6 N -1.57 1.83 -0.14 1.57 2.46 -1.26 -4.93 115.29 113.25 2kk6 s HIS 6 Ca 0.36 0.70 -0.29 0.00 0.47 0.00 0.00 55.06 56.30 2kk6 s HIS 6 Cb 0.22 -4.15 0.09 0.00 -0.13 0.00 0.00 32.58 28.61 2kk6 s HIS 6 CO 0.20 -2.47 0.80 -3.38 -2.47 0.00 0.00 174.74 167.42 2kk6 s HIS 7 N 7.74 -0.59 -1.61 3.88 0.00 -1.26 -5.05 115.29 118.40 2kk6 s HIS 7 Ca 0.70 1.15 0.29 0.00 -3.00 0.00 0.00 55.06 54.20 2kk6 s HIS 7 Cb -0.16 0.39 1.24 0.00 -4.00 0.00 0.00 32.58 30.05 2kk6 s HIS 7 CO 0.27 -0.46 1.87 -2.39 -1.00 0.00 0.00 174.74 173.02 2kk6 n HIS 8 N 1.32 0.00 -1.86 0.38 -0.00 -1.26 -4.74 115.22 109.07 2kk6 n HIS 8 Ca -0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.35 2kk6 n HIS 8 Cb 0.57 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.99 30.29 2kk6 n HIS 8 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2kk6 s SER 9 N -2.50 4.43 -0.30 4.39 0.01 -1.26 -4.77 113.70 113.70 2kk6 s SER 9 Ca 0.28 -0.97 -0.26 0.00 1.31 0.00 0.00 55.95 56.31 2kk6 s SER 9 Cb 0.20 -2.58 0.19 0.00 0.21 0.00 0.00 66.02 64.05 2kk6 s SER 9 CO 0.48 -3.60 1.44 -2.28 0.41 0.00 0.00 173.24 169.68 2kk6 s HIS 10 N 13.09 -0.04 0.36 2.43 5.65 -1.26 -5.16 115.29 130.37 2kk6 s HIS 10 Ca 0.76 0.08 -0.28 0.00 0.25 0.00 0.00 55.06 55.87 2kk6 s HIS 10 Cb -0.05 0.49 -0.11 0.00 -1.18 0.00 0.00 32.58 31.73 2kk6 s HIS 10 CO 0.11 -0.02 1.42 0.00 -0.65 0.00 0.00 174.74 175.59 2kk6 s MET 11 N -0.26 4.19 -0.09 2.88 0.00 -1.26 -5.03 119.30 119.73 2kk6 s MET 11 Ca 0.08 2.43 -0.02 0.00 0.00 0.00 0.00 55.69 58.17 2kk6 s MET 11 Cb -0.04 -2.99 -0.03 0.00 0.00 0.00 0.00 34.83 31.76 2kk6 s MET 11 CO -0.14 -0.41 0.02 0.15 0.00 0.00 0.00 175.02 174.64 2kk6 s LYS 12 N -2.00 3.05 1.20 3.16 -0.14 -1.26 -5.13 119.74 118.63 2kk6 s LYS 12 Ca 0.52 -0.37 -0.17 0.00 -1.36 0.00 0.00 55.97 54.58 2kk6 s LYS 12 Cb -0.44 -2.85 0.28 0.00 -1.68 0.00 0.00 37.83 33.15 2kk6 s LYS 12 CO 0.59 0.71 1.05 -1.25 -0.76 0.00 0.00 175.35 175.69 2kk6 s PRO 13 N -0.94 -1.21 0.21 -1.68 0.04 -1.26 -4.84 135.00 125.32 2kk6 s PRO 13 Ca 0.14 0.29 -0.10 0.00 0.04 0.00 0.00 61.00 61.37 2kk6 s PRO 13 Cb -0.11 -1.57 0.18 0.00 0.04 0.00 0.00 34.50 33.04 2kk6 s PRO 13 CO 0.03 -3.78 1.86 1.25 0.04 0.00 0.00 177.00 176.41 2kk6 h LEU 14 N -2.64 0.80 -1.01 -3.56 5.85 -1.99 -1.96 115.31 110.80 2kk6 h LEU 14 Ca -0.51 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2kk6 h LEU 14 Cb 1.32 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2kk6 h LEU 14 CO 0.42 0.56 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 2kk6 n ALA 15 N -2.31 1.40 0.39 1.25 0.00 -1.26 -1.51 120.51 118.47 2kk6 n ALA 15 Ca 0.08 0.13 0.11 0.00 0.00 0.00 0.00 53.44 53.76 2kk6 n ALA 15 Cb 0.06 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.17 2kk6 n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kk6 n GLU 16 N -2.25 0.41 -2.18 0.00 -0.58 -0.75 -4.92 120.64 110.37 2kk6 n GLU 16 Ca 0.01 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2kk6 n GLU 16 Cb 0.15 -1.66 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 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 -3.27 4.24 0.38 3.49 -1.52 -0.57 -4.91 119.66 117.51 2kk6 s GLN 17 Ca 0.02 2.00 0.08 0.00 -1.95 0.00 0.00 55.36 55.51 2kk6 s GLN 17 Cb 0.13 -3.72 0.77 0.00 -0.22 0.00 0.00 33.01 29.97 2kk6 s GLN 17 CO 0.80 -0.68 1.94 -0.44 -0.25 0.00 0.00 175.29 176.65 2kk6 h ASP 18 N 8.40 0.31 0.56 5.90 3.32 -1.91 -1.52 116.42 131.49 2kk6 h ASP 18 Ca -0.37 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2kk6 h ASP 18 Cb 1.17 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2kk6 h ASP 18 CO 0.93 0.40 0.00 -2.67 -1.72 0.00 0.00 179.24 176.18 2kk6 n TRP 19 N -4.32 0.00 -3.34 4.55 4.27 -1.26 -0.69 117.44 116.66 2kk6 n TRP 19 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 2kk6 n TRP 19 Cb 0.23 -0.38 -0.09 0.00 -1.36 0.00 0.00 31.31 29.71 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 -2.77 3.22 -1.91 -2.67 5.04 -0.57 -0.85 117.35 116.84 2kk6 s TYR 20 Ca 0.16 0.22 0.16 0.00 -2.44 0.00 0.00 57.07 55.18 2kk6 s TYR 20 Cb 0.14 -2.71 0.10 0.00 0.35 0.00 0.00 41.96 39.84 2kk6 s TYR 20 CO 0.36 -0.38 0.98 0.72 -1.34 0.00 0.00 175.55 175.89 2kk6 n HIS 21 N 5.47 0.00 -0.25 4.97 8.25 -1.12 -4.69 115.22 127.86 2kk6 n HIS 21 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2kk6 n HIS 21 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 0.97 0.56 2.48 -1.41 0.00 -1.26 -4.46 105.19 102.06 2kk6 n GLY 22 Ca 0.09 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 0.92 6.27 -1.22 4.61 0.00 -1.26 -0.64 120.51 129.20 2kk6 n ALA 23 Ca 0.00 -3.70 -0.31 0.00 0.00 0.00 0.00 53.44 49.42 2kk6 n ALA 23 Cb 0.00 -1.70 0.10 0.00 0.00 0.00 0.00 19.45 17.84 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 -4.90 3.08 0.76 0.00 -4.36 -1.26 -4.29 121.20 110.22 2kk6 s ILE 24 Ca 0.60 0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 61.26 2kk6 s ILE 24 Cb 0.48 -2.80 0.05 0.00 1.25 0.00 0.00 42.46 41.43 2kk6 s ILE 24 CO -0.12 -0.43 1.08 -2.16 0.24 0.00 0.00 174.94 173.55 2kk6 s PRO 25 N -4.70 2.42 0.51 0.37 0.04 -1.26 -4.45 135.00 127.93 2kk6 s PRO 25 Ca 0.63 1.05 0.19 0.00 0.04 0.00 0.00 61.00 62.92 2kk6 s PRO 25 Cb -0.19 -1.92 1.28 0.00 0.04 0.00 0.00 34.50 33.71 2kk6 s PRO 25 CO 0.54 -1.50 2.07 -0.09 0.04 0.00 0.00 177.00 178.06 2kk6 h ARG 26 N -1.02 0.06 0.66 4.56 2.43 -1.98 -2.60 114.38 116.49 2kk6 h ARG 26 Ca -0.44 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 2kk6 h ARG 26 Cb 1.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2kk6 h ARG 26 CO 0.54 0.04 -0.48 0.82 -1.51 0.00 0.00 179.97 179.37 2kk6 h ILE 27 N 0.06 0.04 -0.10 1.20 2.04 -1.99 -1.03 117.51 117.73 2kk6 h ILE 27 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2kk6 h ILE 27 Cb 0.43 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2kk6 h ILE 27 CO -0.01 0.00 0.07 -0.33 0.00 0.00 0.00 178.15 177.88 2kk6 h GLU 28 N -1.09 0.14 -0.08 2.37 5.08 -1.86 -0.36 114.58 118.78 2kk6 h GLU 28 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2kk6 h GLU 28 Cb 0.91 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 2kk6 h GLU 28 CO 0.03 0.09 0.01 0.00 -1.00 0.00 0.00 179.01 178.14 2kk6 h ALA 29 N 1.94 0.11 0.07 3.43 0.00 -1.13 -3.22 119.26 120.46 2kk6 h ALA 29 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 2kk6 h ALA 29 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kk6 h ALA 29 CO -0.01 -0.23 -1.25 -0.56 0.00 0.00 0.00 179.25 177.20 2kk6 h GLN 30 N -0.13 0.15 -0.59 0.00 3.07 -0.77 -3.32 115.11 113.52 2kk6 h GLN 30 Ca 0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 58.65 58.48 2kk6 h GLN 30 Cb 0.32 0.10 -0.03 0.00 0.08 0.00 0.00 27.48 27.95 2kk6 h GLN 30 CO 0.00 1.07 0.30 0.93 0.09 0.00 0.00 178.83 181.23 2kk6 h GLU 31 N 0.04 0.83 0.00 0.06 4.39 -1.17 -1.55 114.58 117.19 2kk6 h GLU 31 Ca -0.12 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2kk6 h GLU 31 Cb 1.92 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2kk6 h GLU 31 CO 0.16 0.63 0.00 1.37 -1.16 0.00 0.00 179.01 180.01 2kk6 h LEU 32 N 0.83 0.00 -8.66 1.33 8.10 -1.68 -3.42 115.31 111.82 2kk6 h LEU 32 Ca 0.21 0.00 -0.56 0.00 0.11 0.00 0.00 57.88 57.64 2kk6 h LEU 32 Cb 0.06 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.21 2kk6 h LEU 32 CO -0.03 0.00 0.98 -0.76 -4.11 0.00 0.00 178.44 174.52 2kk6 s LEU 33 N -6.12 3.53 0.00 0.17 1.43 -0.58 -4.78 118.68 112.32 2kk6 s LEU 33 Ca 0.05 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2kk6 s LEU 33 Cb 0.07 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.93 2kk6 s LEU 33 CO 0.62 -1.40 0.29 2.29 0.23 0.00 0.00 176.35 178.37 2kk6 n LYS 34 N 8.18 0.00 -3.85 1.70 2.85 -1.26 -4.97 118.16 120.81 2kk6 n LYS 34 Ca 0.11 -0.29 -0.12 0.00 -1.05 0.00 0.00 58.31 56.96 2kk6 n LYS 34 Cb 0.49 -0.33 -0.11 0.00 -0.65 0.00 0.00 35.03 34.43 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 0.00 0.32 -0.27 -1.58 -2.85 -1.26 -5.10 119.74 108.99 2kk6 s LYS 35 Ca 0.00 -0.07 -0.32 0.00 -1.00 0.00 0.00 55.97 54.58 2kk6 s LYS 35 Cb 0.00 0.14 -0.09 0.00 -2.06 0.00 0.00 37.83 35.82 2kk6 s LYS 35 CO 0.00 -0.06 2.17 0.94 0.10 0.00 0.00 175.35 178.50 2kk6 n GLN 36 N 2.30 1.52 0.00 1.78 7.27 -1.26 -2.06 117.38 126.93 2kk6 n GLN 36 Ca -0.17 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.33 2kk6 n GLN 36 Cb 0.57 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.44 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 6.04 2.79 3.65 1.69 0.00 0.22 -4.96 105.19 114.62 2kk6 n GLY 37 Ca 0.35 -0.55 -0.55 0.00 0.00 0.00 0.00 46.02 45.27 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 2.00 -4.00 1.61 8.00 -0.88 -3.80 116.55 119.47 2kk6 n ASP 38 Ca 0.00 1.10 -0.10 0.00 0.71 0.00 0.00 54.79 56.50 2kk6 n ASP 38 Cb 0.00 -1.16 -0.11 0.00 -0.02 0.00 0.00 41.12 39.83 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 1.98 0.37 -0.04 1.24 -0.71 -1.17 -0.23 117.98 119.42 2kk6 s PHE 39 Ca 0.91 -0.54 -0.10 0.00 -1.04 0.00 0.00 56.93 56.17 2kk6 s PHE 39 Cb -1.01 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 40.56 2kk6 s PHE 39 CO 0.56 -0.17 0.22 -0.48 -1.34 0.00 0.00 175.22 174.01 2kk6 s LEU 40 N -1.54 1.20 -0.19 -1.99 2.34 -0.56 -3.46 118.68 114.47 2kk6 s LEU 40 Ca -0.14 0.13 -0.07 0.00 0.06 0.00 0.00 54.13 54.11 2kk6 s LEU 40 Cb -0.09 0.87 -0.04 0.00 -0.56 0.00 0.00 46.19 46.37 2kk6 s LEU 40 CO -0.01 -0.28 0.06 -0.69 -1.06 0.00 0.00 176.35 174.37 2kk6 s VAL 41 N -0.79 4.68 0.06 1.48 1.01 -0.03 -1.55 120.40 125.26 2kk6 s VAL 41 Ca -0.09 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 2kk6 s VAL 41 Cb -0.05 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2kk6 s VAL 41 CO 0.02 0.44 -0.04 0.00 0.00 0.00 0.00 175.10 175.51 2kk6 s ARG 42 N 0.61 0.64 0.31 2.72 1.70 -1.02 -2.77 118.95 121.13 2kk6 s ARG 42 Ca 0.03 -1.20 -0.25 0.00 -0.47 0.00 0.00 55.73 53.84 2kk6 s ARG 42 Cb -0.13 0.10 -0.10 0.00 -0.57 0.00 0.00 34.95 34.25 2kk6 s ARG 42 CO 0.01 -0.08 0.91 -2.00 -1.08 0.00 0.00 175.30 173.06 2kk6 s GLU 43 N -3.70 4.53 0.00 3.89 2.12 0.19 0.53 118.70 126.26 2kk6 s GLU 43 Ca 0.06 1.26 -0.30 0.00 0.36 0.00 0.00 54.97 56.35 2kk6 s GLU 43 Cb 0.06 -2.80 -0.08 0.00 0.26 0.00 0.00 34.13 31.57 2kk6 s GLU 43 CO -0.08 0.29 1.84 0.45 -0.54 0.00 0.00 175.26 177.22 2kk6 s SER 44 N -1.63 6.54 -0.86 -1.70 0.15 -0.69 -4.28 113.70 111.22 2kk6 s SER 44 Ca 0.49 2.50 -0.27 0.00 0.70 0.00 0.00 55.95 59.37 2kk6 s SER 44 Cb -0.18 -2.53 -0.19 0.00 -1.71 0.00 0.00 66.02 61.41 2kk6 s SER 44 CO 0.23 -1.00 2.56 1.57 1.20 0.00 0.00 173.24 177.80 2kk6 n HIS 45 N 7.35 0.75 -1.03 3.44 -0.00 -1.26 0.40 115.22 124.88 2kk6 n HIS 45 Ca 0.19 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2kk6 n HIS 45 Cb 0.42 -2.27 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 2kk6 n HIS 45 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kk6 n GLY 46 N 6.29 1.16 2.66 1.57 0.00 -1.26 -5.05 105.19 110.55 2kk6 n GLY 46 Ca 0.58 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.53 1.72 -0.14 1.61 2.47 0.16 -5.10 119.74 117.94 2kk6 s LYS 47 Ca 0.00 -2.76 -0.35 0.00 -1.56 0.00 0.00 55.97 51.30 2kk6 s LYS 47 Cb 0.00 -2.46 -0.12 0.00 -1.46 0.00 0.00 37.83 33.79 2kk6 s LYS 47 CO 0.00 -1.34 1.90 -2.30 0.16 0.00 0.00 175.35 173.77 2kk6 n PRO 48 N 2.37 1.96 -0.97 4.03 -0.02 -1.26 -2.07 135.00 139.04 2kk6 n PRO 48 Ca 0.25 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2kk6 n PRO 48 Cb 0.41 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 4.59 0.50 2.59 -1.23 0.00 -1.26 -5.04 105.19 105.34 2kk6 n GLY 49 Ca 0.25 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.96 0.15 -0.09 1.61 2.12 -0.88 -4.76 118.70 114.90 2kk6 s GLU 50 Ca 0.00 -0.28 -0.06 0.00 0.36 0.00 0.00 54.97 54.99 2kk6 s GLU 50 Cb 0.00 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.74 2kk6 s GLU 50 CO 0.00 -0.80 0.16 0.71 -0.54 0.00 0.00 175.26 174.79 2kk6 s TYR 51 N 2.10 3.59 -0.18 5.30 1.51 -1.26 -1.70 117.35 126.71 2kk6 s TYR 51 Ca 0.04 0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.58 2kk6 s TYR 51 Cb -0.16 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2kk6 s TYR 51 CO -0.19 0.71 -0.11 0.08 -1.11 0.00 0.00 175.55 174.93 2kk6 s VAL 52 N -1.11 2.99 -0.05 0.71 1.01 0.19 -0.65 120.40 123.48 2kk6 s VAL 52 Ca 0.19 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2kk6 s VAL 52 Cb -0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2kk6 s VAL 52 CO 0.08 0.49 0.69 -0.22 0.00 0.00 0.00 175.10 176.14 2kk6 s LEU 53 N 0.98 4.33 -0.15 3.92 2.96 0.12 -2.44 118.68 128.41 2kk6 s LEU 53 Ca -0.01 1.19 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 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 -0.08 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.32 2kk6 s SER 54 N 0.64 2.81 0.04 3.68 0.01 -0.59 -0.66 113.70 119.62 2kk6 s SER 54 Ca 0.37 -0.53 0.02 0.00 1.31 0.00 0.00 55.95 57.12 2kk6 s SER 54 Cb -0.18 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 2kk6 s SER 54 CO 0.18 -0.00 -0.07 0.54 0.41 0.00 0.00 173.24 174.29 2kk6 s VAL 55 N 1.22 0.52 -0.40 3.43 0.11 -0.41 -1.50 120.40 123.36 2kk6 s VAL 55 Ca 0.00 -0.97 -0.18 0.00 -2.93 0.00 0.00 61.98 57.90 2kk6 s VAL 55 Cb -0.14 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2kk6 s VAL 55 CO -0.08 -0.32 0.48 -0.47 -3.33 0.00 0.00 175.10 171.38 2kk6 s TYR 56 N -1.22 3.16 -0.15 1.54 5.04 0.68 0.18 117.35 126.57 2kk6 s TYR 56 Ca -0.09 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 2kk6 s TYR 56 Cb -0.09 -2.95 0.03 0.00 0.35 0.00 0.00 41.96 39.30 2kk6 s TYR 56 CO 0.00 -0.67 -0.10 0.45 -1.34 0.00 0.00 175.55 173.89 2kk6 s SER 57 N 1.83 2.72 0.00 4.32 0.15 0.30 -0.61 113.70 122.41 2kk6 s SER 57 Ca 0.15 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2kk6 s SER 57 Cb -0.16 -1.04 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 2kk6 s SER 57 CO 0.14 -0.12 0.00 0.47 1.20 0.00 0.00 173.24 174.93 2kk6 n ASP 58 N 4.83 -5.57 0.00 5.45 8.00 -1.26 -0.83 116.55 127.17 2kk6 n ASP 58 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2kk6 n ASP 58 Cb 0.49 -3.27 0.00 0.00 -0.02 0.00 0.00 41.12 38.32 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 0.63 2.20 3.85 0.44 0.00 -1.26 -5.10 105.19 105.94 2kk6 n GLY 59 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.16 3.69 -0.55 1.61 -0.21 -0.01 -5.06 119.66 118.98 2kk6 s GLN 60 Ca 0.00 0.07 -0.21 0.00 0.02 0.00 0.00 55.36 55.24 2kk6 s GLN 60 Cb 0.00 -3.23 0.06 0.00 1.00 0.00 0.00 33.01 30.84 2kk6 s GLN 60 CO 0.00 0.69 0.74 1.03 -2.12 0.00 0.00 175.29 175.63 2kk6 s ARG 61 N -0.88 3.16 0.47 2.91 3.00 -1.26 -0.54 118.95 125.82 2kk6 s ARG 61 Ca 0.18 -0.81 -0.19 0.00 0.00 0.00 0.00 55.73 54.91 2kk6 s ARG 61 Cb -0.14 -4.13 -0.09 0.00 0.00 0.00 0.00 34.95 30.59 2kk6 s ARG 61 CO 0.07 -1.39 0.97 1.03 0.00 0.00 0.00 175.30 175.98 2kk6 s ARG 62 N 3.09 4.08 -0.09 3.54 1.81 0.13 -4.84 118.95 126.67 2kk6 s ARG 62 Ca 0.19 1.05 -0.02 0.00 -1.72 0.00 0.00 55.73 55.23 2kk6 s ARG 62 Cb -0.18 -2.16 0.03 0.00 -0.45 0.00 0.00 34.95 32.20 2kk6 s ARG 62 CO 0.12 -0.16 0.02 -1.01 -0.68 0.00 0.00 175.30 173.59 2kk6 s HIS 63 N -2.38 0.60 -0.04 -0.53 3.76 -1.26 -1.29 115.29 114.15 2kk6 s HIS 63 Ca 0.61 -0.19 0.06 0.00 -0.15 0.00 0.00 55.06 55.38 2kk6 s HIS 63 Cb -0.10 -0.78 -0.02 0.00 1.11 0.00 0.00 32.58 32.80 2kk6 s HIS 63 CO 0.22 -0.35 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.49 2kk6 s PHE 64 N 2.00 2.52 -0.14 1.40 0.08 0.16 -4.95 117.98 119.05 2kk6 s PHE 64 Ca 0.04 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.65 2kk6 s PHE 64 Cb -0.13 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2kk6 s PHE 64 CO -0.05 0.03 0.13 0.42 -0.10 0.00 0.00 175.22 175.64 2kk6 s ILE 65 N -0.57 5.44 -0.27 0.64 1.01 -1.26 0.14 121.20 126.32 2kk6 s ILE 65 Ca 0.08 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 2kk6 s ILE 65 Cb -0.11 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2kk6 s ILE 65 CO 0.00 0.58 0.64 -0.63 0.00 0.00 0.00 174.94 175.53 2kk6 s ILE 66 N -0.73 4.96 -0.08 2.92 1.01 0.18 -4.68 121.20 124.78 2kk6 s ILE 66 Ca 0.13 1.05 -0.18 0.00 0.00 0.00 0.00 60.65 61.65 2kk6 s ILE 66 Cb -0.12 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2kk6 s ILE 66 CO 0.03 -0.04 0.47 -1.10 0.00 0.00 0.00 174.94 174.30 2kk6 s GLN 67 N 2.56 4.25 -0.73 2.79 1.11 -0.04 -4.28 119.66 125.32 2kk6 s GLN 67 Ca 0.26 0.47 -0.21 0.00 0.01 0.00 0.00 55.36 55.90 2kk6 s GLN 67 Cb -0.15 -3.38 0.10 0.00 -1.01 0.00 0.00 33.01 28.57 2kk6 s GLN 67 CO 0.10 0.31 0.96 -0.47 0.01 0.00 0.00 175.29 176.19 2kk6 s TYR 68 N 0.12 2.89 -0.01 0.91 5.04 -1.26 -2.11 117.35 122.93 2kk6 s TYR 68 Ca 0.26 -0.90 0.05 0.00 -2.44 0.00 0.00 57.07 54.03 2kk6 s TYR 68 Cb -0.16 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 37.91 2kk6 s TYR 68 CO 0.12 -1.52 -0.15 0.08 -1.34 0.00 0.00 175.55 172.73 2kk6 s VAL 69 N 3.33 1.20 -1.87 3.14 1.01 -0.01 -4.66 120.40 122.54 2kk6 s VAL 69 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2kk6 s VAL 69 Cb -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2kk6 s VAL 69 CO 0.03 0.34 0.00 0.47 0.00 0.00 0.00 175.10 175.94 2kk6 n ASP 70 N 2.74 -5.50 -1.24 3.32 9.92 -1.26 -0.61 116.55 123.92 2kk6 n ASP 70 Ca -0.15 0.22 -0.16 0.00 -0.53 0.00 0.00 54.79 54.17 2kk6 n ASP 70 Cb 0.55 -4.63 -0.07 0.00 -0.64 0.00 0.00 41.12 36.33 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 -1.48 -5.15 -4.35 -2.24 3.02 -1.26 -5.00 115.26 98.80 2kk6 n ASN 71 Ca -0.22 0.40 -0.26 0.00 -0.03 0.00 0.00 54.58 54.47 2kk6 n ASN 71 Cb 0.66 -4.07 -0.13 0.00 -0.61 0.00 0.00 39.78 35.64 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 -3.34 1.31 -0.08 3.52 -1.94 0.22 -4.73 119.30 114.26 2kk6 s MET 72 Ca 0.00 -1.31 -0.20 0.00 -1.71 0.00 0.00 55.69 52.47 2kk6 s MET 72 Cb 0.00 -1.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 2kk6 s MET 72 CO 0.00 0.39 0.57 0.71 -0.01 0.00 0.00 175.02 176.68 2kk6 s TYR 73 N -1.24 3.57 -0.01 -0.03 2.02 0.53 -0.83 117.35 121.36 2kk6 s TYR 73 Ca 0.12 1.06 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 2kk6 s TYR 73 Cb -0.09 -2.64 0.02 0.00 -0.40 0.00 0.00 41.96 38.85 2kk6 s TYR 73 CO 0.06 0.18 0.31 -0.98 -1.57 0.00 0.00 175.55 173.55 2kk6 s ARG 74 N 0.52 0.68 0.00 -0.62 1.70 -0.90 -1.37 118.95 118.96 2kk6 s ARG 74 Ca 0.31 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 2kk6 s ARG 74 Cb -0.16 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.52 2kk6 s ARG 74 CO 0.14 -0.19 0.00 1.19 -1.08 0.00 0.00 175.30 175.36 2kk6 n PHE 75 N 1.21 0.00 0.12 5.89 3.72 -1.26 -0.86 117.46 126.29 2kk6 n PHE 75 Ca -0.21 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.94 2kk6 n PHE 75 Cb 0.56 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.95 2kk6 n PHE 75 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2kk6 h GLU 76 N 0.00 0.50 0.00 -1.08 4.57 -1.93 -3.45 114.58 113.19 2kk6 h GLU 76 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 2kk6 h GLU 76 Cb 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2kk6 h GLU 76 CO 0.00 1.41 0.00 0.41 -1.18 0.00 0.00 179.01 179.65 2kk6 n GLY 77 N 1.77 0.41 3.62 1.92 0.00 -1.26 -5.05 105.19 106.60 2kk6 n GLY 77 Ca -0.20 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 3.06 0.02 2.61 2.01 -1.26 -4.95 115.64 117.13 2kk6 s THR 78 Ca 0.00 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.13 2kk6 s THR 78 Cb 0.00 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 2kk6 s THR 78 CO 0.00 -0.03 -0.19 -0.83 -0.69 0.00 0.00 174.62 172.88 2kk6 s GLY 79 N 6.66 0.97 0.07 4.40 0.00 -1.26 -4.13 107.32 114.03 2kk6 s GLY 79 Ca 0.94 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 44.82 2kk6 s GLY 79 CO 0.37 -0.82 -0.18 -1.36 0.00 0.00 0.00 173.10 171.12 2kk6 s PHE 80 N -0.65 1.52 -1.22 1.90 0.40 -0.47 -4.87 117.98 114.58 2kk6 s PHE 80 Ca 0.06 -0.42 0.17 0.00 -0.60 0.00 0.00 56.93 56.15 2kk6 s PHE 80 Cb -0.08 -0.86 0.81 0.00 0.51 0.00 0.00 43.02 43.40 2kk6 s PHE 80 CO 0.01 0.12 1.54 0.45 0.70 0.00 0.00 175.22 178.03 2kk6 n SER 81 N 1.37 0.00 -3.94 1.36 2.88 -1.26 -0.35 113.62 113.68 2kk6 n SER 81 Ca -0.20 0.26 -0.25 0.00 -1.33 0.00 0.00 58.87 57.36 2kk6 n SER 81 Cb 0.54 -0.39 -0.17 0.00 -0.75 0.00 0.00 64.21 63.44 2kk6 n SER 81 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2kk6 s ASN 82 N -2.78 1.83 0.19 -3.46 0.01 -1.26 -4.79 114.94 104.68 2kk6 s ASN 82 Ca 0.13 -0.27 -0.13 0.00 -0.71 0.00 0.00 52.86 51.88 2kk6 s ASN 82 Cb 0.11 -0.76 0.19 0.00 0.41 0.00 0.00 41.25 41.20 2kk6 s ASN 82 CO 0.29 -0.05 1.73 0.40 -1.51 0.00 0.00 177.10 177.95 2kk6 h ILE 83 N 6.10 0.76 -0.96 0.60 2.04 -1.94 -0.26 117.51 123.84 2kk6 h ILE 83 Ca -0.31 -0.10 0.17 0.00 1.00 0.00 0.00 64.86 65.63 2kk6 h ILE 83 Cb 1.16 0.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.59 2kk6 h ILE 83 CO 0.43 0.05 0.55 1.55 0.00 0.00 0.00 178.15 180.74 2kk6 h PRO 84 N 0.28 0.70 -0.07 2.37 0.13 -1.92 -1.72 132.00 131.78 2kk6 h PRO 84 Ca 0.25 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 65.14 2kk6 h PRO 84 Cb 0.31 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 2kk6 h PRO 84 CO -0.30 0.47 -0.79 1.96 -0.23 0.00 0.00 178.00 179.11 2kk6 h GLN 85 N 0.72 0.45 0.08 0.86 1.08 -1.68 0.70 115.11 117.33 2kk6 h GLN 85 Ca 0.54 -0.40 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2kk6 h GLN 85 Cb 0.81 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2kk6 h GLN 85 CO -0.38 1.04 -0.17 1.25 -0.95 0.00 0.00 178.83 179.63 2kk6 h LEU 86 N 0.30 -0.46 -0.12 1.46 5.85 -0.31 0.64 115.31 122.66 2kk6 h LEU 86 Ca -0.05 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 2kk6 h LEU 86 Cb 1.39 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 2kk6 h LEU 86 CO 0.14 -0.24 -0.07 0.40 -0.34 0.00 0.00 178.44 178.33 2kk6 h ILE 87 N -0.31 1.33 -0.32 4.05 1.08 -1.37 -2.84 117.51 119.13 2kk6 h ILE 87 Ca 0.03 -1.14 0.07 0.00 -0.39 0.00 0.00 64.86 63.42 2kk6 h ILE 87 Cb 0.34 1.83 -0.07 0.00 -3.07 0.00 0.00 36.82 35.85 2kk6 h ILE 87 CO -0.10 0.33 -0.14 -0.78 -0.69 0.00 0.00 178.15 176.76 2kk6 h ASP 88 N -0.10 -0.48 -0.59 1.72 3.58 -0.80 0.21 116.42 119.95 2kk6 h ASP 88 Ca 0.02 0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.60 2kk6 h ASP 88 Cb 0.55 0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 2kk6 h ASP 88 CO 0.02 -0.18 0.39 -0.74 -2.88 0.00 0.00 179.24 175.86 2kk6 h HIS 89 N -0.09 0.74 -0.25 0.28 2.76 -0.91 0.09 115.15 117.78 2kk6 h HIS 89 Ca 0.16 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2kk6 h HIS 89 Cb 0.34 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2kk6 h HIS 89 CO -0.35 0.47 -0.02 0.45 -1.30 0.00 0.00 177.93 177.18 2kk6 h HIS 90 N 0.80 0.49 -0.24 5.26 3.86 -1.19 -2.27 115.15 121.87 2kk6 h HIS 90 Ca 0.22 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2kk6 h HIS 90 Cb -0.09 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 2kk6 h HIS 90 CO -0.03 0.64 0.11 -0.92 0.86 0.00 0.00 177.93 178.58 2kk6 h TYR 91 N 0.21 0.35 0.40 2.45 3.20 -0.37 0.54 116.97 123.75 2kk6 h TYR 91 Ca 0.07 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2kk6 h TYR 91 Cb 0.45 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.62 2kk6 h TYR 91 CO 0.04 0.35 -0.19 1.79 -1.64 0.00 0.00 178.16 178.51 2kk6 h THR 92 N 0.25 0.61 0.00 1.81 1.35 -1.04 -2.42 112.91 113.49 2kk6 h THR 92 Ca 0.08 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2kk6 h THR 92 Cb 0.13 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 2kk6 h THR 92 CO -0.01 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 2kk6 h THR 93 N -0.59 0.00 -2.04 6.82 1.35 -1.38 -3.46 112.91 113.60 2kk6 h THR 93 Ca -0.05 -0.25 -0.37 0.00 -0.55 0.00 0.00 66.41 65.19 2kk6 h THR 93 Cb 0.44 1.02 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 2kk6 h THR 93 CO 0.09 0.00 -0.43 1.17 -0.25 0.00 0.00 175.52 176.10 2kk6 n LYS 94 N -2.49 -1.40 -3.17 4.72 3.00 0.18 -4.99 118.16 114.01 2kk6 n LYS 94 Ca 0.01 0.97 -0.35 0.00 -0.00 0.00 0.00 58.31 58.94 2kk6 n LYS 94 Cb 0.21 -5.41 -0.06 0.00 0.00 0.00 0.00 35.03 29.77 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 -4.47 4.14 0.76 1.64 -0.44 -0.44 -4.80 119.66 116.05 2kk6 s GLN 95 Ca 0.00 0.74 -0.12 0.00 -2.50 0.00 0.00 55.36 53.48 2kk6 s GLN 95 Cb 0.00 -2.81 0.05 0.00 -1.64 0.00 0.00 33.01 28.61 2kk6 s GLN 95 CO 0.00 0.37 1.11 0.14 0.50 0.00 0.00 175.29 177.41 2kk6 s VAL 96 N -1.60 3.09 -0.02 1.34 -7.23 -1.26 -4.54 120.40 110.19 2kk6 s VAL 96 Ca 0.44 0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 60.95 2kk6 s VAL 96 Cb -0.15 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.91 2kk6 s VAL 96 CO 0.20 -0.41 0.45 0.40 -0.31 0.00 0.00 175.10 175.43 2kk6 h ILE 97 N -0.85 0.00 -3.45 -0.62 1.08 -1.55 -3.46 117.51 108.66 2kk6 h ILE 97 Ca -0.45 -0.29 -0.67 0.00 -0.39 0.00 0.00 64.86 63.07 2kk6 h ILE 97 Cb 1.24 0.00 -0.28 0.00 -3.07 0.00 0.00 36.82 34.72 2kk6 h ILE 97 CO 0.51 0.00 -0.79 0.42 -0.69 0.00 0.00 178.15 177.59 2kk6 s THR 98 N -2.36 2.81 0.05 -0.27 -4.23 -1.26 -4.07 115.64 106.30 2kk6 s THR 98 Ca -0.03 -0.76 0.28 0.00 -1.18 0.00 0.00 61.69 60.00 2kk6 s THR 98 Cb 0.00 -2.14 0.31 0.00 1.34 0.00 0.00 72.50 72.01 2kk6 s THR 98 CO 0.10 0.54 1.86 0.11 -0.54 0.00 0.00 174.62 176.69 2kk6 h LYS 99 N 6.51 0.00 0.00 3.99 1.79 -1.97 0.20 116.57 127.09 2kk6 h LYS 99 Ca -0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2kk6 h LYS 99 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2kk6 h LYS 99 CO 0.53 0.11 0.00 1.63 -1.08 0.00 0.00 179.45 180.64 2kk6 n LYS 100 N -3.22 0.20 0.01 3.15 4.01 -1.26 -4.21 118.16 116.83 2kk6 n LYS 100 Ca 0.01 0.43 -0.03 0.00 -0.51 0.00 0.00 58.31 58.21 2kk6 n LYS 100 Cb 0.40 -1.89 -0.01 0.00 -0.51 0.00 0.00 35.03 33.02 2kk6 n LYS 100 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2kk6 n SER 101 N -2.27 0.85 -0.00 4.39 7.64 -0.76 -5.07 113.62 118.40 2kk6 n SER 101 Ca 0.02 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2kk6 n SER 101 Cb 0.23 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kk6 n GLY 102 N 2.98 1.42 3.68 0.23 0.00 0.63 -5.06 105.19 109.07 2kk6 n GLY 102 Ca -0.05 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 5.07 0.09 1.61 1.01 -1.26 -4.96 120.40 119.96 2kk6 s VAL 103 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 2kk6 s VAL 103 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2kk6 s VAL 103 CO 0.00 0.18 0.27 -0.69 0.00 0.00 0.00 175.10 174.86 2kk6 s VAL 104 N 1.51 5.31 -0.37 2.92 1.01 -1.26 -1.25 120.40 128.27 2kk6 s VAL 104 Ca 0.28 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 2kk6 s VAL 104 Cb -0.16 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kk6 s VAL 104 CO 0.11 0.11 0.76 -0.76 0.00 0.00 0.00 175.10 175.32 2kk6 s LEU 105 N -2.54 4.17 0.17 3.92 1.43 -1.26 -4.92 118.68 119.64 2kk6 s LEU 105 Ca 0.37 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 2kk6 s LEU 105 Cb -0.13 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2kk6 s LEU 105 CO 0.27 -0.73 0.18 -1.48 0.23 0.00 0.00 176.35 174.82 2kk6 s LEU 106 N 3.05 1.23 -0.64 1.79 2.34 -1.25 -4.81 118.68 120.39 2kk6 s LEU 106 Ca 0.30 -1.13 -0.10 0.00 0.06 0.00 0.00 54.13 53.26 2kk6 s LEU 106 Cb -0.13 0.73 0.01 0.00 -0.56 0.00 0.00 46.19 46.24 2kk6 s LEU 106 CO 0.17 -0.85 0.65 0.59 -1.06 0.00 0.00 176.35 175.85 2kk6 n ASN 107 N -0.20 -6.91 -4.55 1.48 3.02 -1.26 -3.71 115.26 103.12 2kk6 n ASN 107 Ca -0.04 -0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.04 2kk6 n ASN 107 Cb 0.64 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.71 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kk6 s PRO 108 N -3.23 2.75 -0.27 3.52 0.04 -1.26 -3.03 135.00 133.52 2kk6 s PRO 108 Ca 0.12 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.05 2kk6 s PRO 108 Cb -0.02 -4.57 -0.02 0.00 0.04 0.00 0.00 34.50 29.92 2kk6 s PRO 108 CO 0.80 -2.77 1.63 0.42 0.04 0.00 0.00 177.00 177.12 2kk6 s ILE 109 N 8.59 3.68 0.72 0.56 -1.09 -1.22 -4.74 121.20 127.69 2kk6 s ILE 109 Ca 0.62 0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 59.62 2kk6 s ILE 109 Cb -0.10 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2kk6 s ILE 109 CO 0.13 -0.38 1.01 -2.65 -1.23 0.00 0.00 174.94 171.82 2kk6 n PRO 110 N 7.89 0.55 -2.57 2.79 -0.02 -1.26 -4.04 135.00 138.35 2kk6 n PRO 110 Ca 0.19 0.25 -0.27 0.00 -2.02 0.00 0.00 63.50 61.65 2kk6 n PRO 110 Cb 0.46 -2.26 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 2kk6 n PRO 110 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2kk6 s LYS 111 N -3.37 3.30 0.32 -0.52 0.00 0.14 -4.92 119.74 114.69 2kk6 s LYS 111 Ca 0.74 0.09 0.07 0.00 0.00 0.00 0.00 55.97 56.87 2kk6 s LYS 111 Cb -0.35 -2.35 -0.03 0.00 0.00 0.00 0.00 37.83 35.11 2kk6 s LYS 111 CO 0.49 -0.38 0.31 0.16 0.00 0.00 0.00 175.35 175.92 2kk6 s ASP 112 N -4.18 5.45 -1.38 0.03 -4.77 -1.26 -5.02 116.67 105.54 2kk6 s ASP 112 Ca 0.50 -0.40 -0.13 0.00 -3.30 0.00 0.00 52.55 49.22 2kk6 s ASP 112 Cb -0.10 -1.10 -0.04 0.00 -1.09 0.00 0.00 42.92 40.59 2kk6 s ASP 112 CO 0.45 -0.31 2.45 0.29 0.70 0.00 0.00 175.17 178.75 2kk6 n LYS 113 N -1.38 2.92 -2.67 2.11 4.01 -1.26 -4.90 118.16 116.98 2kk6 n LYS 113 Ca -0.03 -2.23 -0.42 0.00 -0.51 0.00 0.00 58.31 55.12 2kk6 n LYS 113 Cb 0.59 -2.97 -0.03 0.00 -0.51 0.00 0.00 35.03 32.11 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2kk6 s LYS 114 N 3.06 3.26 -0.04 1.97 2.20 -1.26 -4.76 119.74 124.17 2kk6 s LYS 114 Ca 0.56 -0.66 0.17 0.00 -0.36 0.00 0.00 55.97 55.67 2kk6 s LYS 114 Cb 0.15 -4.42 0.53 0.00 -1.51 0.00 0.00 37.83 32.58 2kk6 s LYS 114 CO -0.05 -2.03 1.45 0.91 -0.36 0.00 0.00 175.35 175.27 2kk6 n TRP 115 N 8.59 0.90 -0.13 4.03 7.02 -1.26 -5.12 117.44 131.47 2kk6 n TRP 115 Ca 0.07 -0.56 0.00 0.00 -1.02 0.00 0.00 57.50 55.99 2kk6 n TRP 115 Cb 0.48 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11