#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kk6 s GLY 2 N 0.00 0.28 -0.32 3.03 0.00 -1.26 -5.11 107.32 103.95 2kk6 s GLY 2 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 2kk6 s GLY 2 CO 0.00 0.88 0.12 -2.38 0.00 0.00 0.00 173.10 171.72 2kk6 s HIS 3 N 1.46 1.27 -0.13 1.90 0.00 -1.26 -5.13 115.29 113.41 2kk6 s HIS 3 Ca -0.04 -1.54 -0.06 0.00 -3.00 0.00 0.00 55.06 50.43 2kk6 s HIS 3 Cb -0.13 -1.45 -0.04 0.00 -4.00 0.00 0.00 32.58 26.96 2kk6 s HIS 3 CO -0.03 -0.86 0.06 -1.58 -1.00 0.00 0.00 174.74 171.34 2kk6 s HIS 4 N 1.63 3.31 0.58 0.38 5.65 -1.26 -5.10 115.29 120.49 2kk6 s HIS 4 Ca 0.11 0.23 -0.18 0.00 0.25 0.00 0.00 55.06 55.46 2kk6 s HIS 4 Cb -0.18 -1.95 -0.04 0.00 -1.18 0.00 0.00 32.58 29.23 2kk6 s HIS 4 CO -0.25 0.41 1.14 -1.01 -0.65 0.00 0.00 174.74 174.38 2kk6 s HIS 5 N -0.40 2.60 -0.16 3.88 4.02 -1.26 -5.04 115.29 118.92 2kk6 s HIS 5 Ca 0.09 1.54 0.00 0.00 1.02 0.00 0.00 55.06 57.72 2kk6 s HIS 5 Cb -0.12 -3.31 0.00 0.00 -1.02 0.00 0.00 32.58 28.14 2kk6 s HIS 5 CO 0.02 -1.73 -0.16 -1.01 1.02 0.00 0.00 174.74 172.87 2kk6 s HIS 6 N -1.85 2.78 -0.50 1.40 3.76 -1.26 -5.08 115.29 114.54 2kk6 s HIS 6 Ca 0.72 -1.21 -0.28 0.00 -0.15 0.00 0.00 55.06 54.15 2kk6 s HIS 6 Cb -0.24 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.54 2kk6 s HIS 6 CO 0.31 -0.58 1.59 -1.58 -0.85 0.00 0.00 174.74 173.64 2kk6 s HIS 7 N 0.98 2.06 0.02 1.40 2.46 -1.26 -4.96 115.29 115.99 2kk6 s HIS 7 Ca -0.02 0.60 -0.20 0.00 0.47 0.00 0.00 55.06 55.91 2kk6 s HIS 7 Cb -0.15 -4.26 0.04 0.00 -0.13 0.00 0.00 32.58 28.08 2kk6 s HIS 7 CO -0.03 -2.26 0.44 -3.38 -2.47 0.00 0.00 174.74 167.03 2kk6 s HIS 8 N 6.79 -0.32 1.03 3.88 0.00 -1.26 -5.17 115.29 120.23 2kk6 s HIS 8 Ca 0.63 0.39 -0.12 0.00 -3.00 0.00 0.00 55.06 52.96 2kk6 s HIS 8 Cb -0.14 0.23 0.21 0.00 -4.00 0.00 0.00 32.58 28.88 2kk6 s HIS 8 CO 0.27 -0.55 1.07 0.45 -1.00 0.00 0.00 174.74 174.99 2kk6 s SER 9 N -1.74 2.27 -0.30 7.38 0.15 -1.26 -5.07 113.70 115.13 2kk6 s SER 9 Ca -0.08 1.39 -0.18 0.00 0.70 0.00 0.00 55.95 57.78 2kk6 s SER 9 Cb -0.02 -2.08 0.19 0.00 -1.71 0.00 0.00 66.02 62.40 2kk6 s SER 9 CO 0.01 -3.38 1.20 -1.38 1.20 0.00 0.00 173.24 170.89 2kk6 s HIS 10 N -2.79 -0.23 -0.21 3.44 0.00 -1.26 -5.15 115.29 109.09 2kk6 s HIS 10 Ca 0.66 0.42 -0.18 0.00 -3.00 0.00 0.00 55.06 52.96 2kk6 s HIS 10 Cb -0.21 0.14 -0.03 0.00 -4.00 0.00 0.00 32.58 28.48 2kk6 s HIS 10 CO 0.60 -0.12 0.48 0.00 -1.00 0.00 0.00 174.74 174.70 2kk6 s MET 11 N 1.93 4.17 0.00 -0.38 0.00 -1.26 -5.07 119.30 118.70 2kk6 s MET 11 Ca -0.02 0.34 0.02 0.00 0.00 0.00 0.00 55.69 56.03 2kk6 s MET 11 Cb -0.02 -3.56 -0.01 0.00 0.00 0.00 0.00 34.83 31.24 2kk6 s MET 11 CO -0.15 -0.14 -0.06 0.15 0.00 0.00 0.00 175.02 174.82 2kk6 s LYS 12 N 1.61 0.46 0.97 3.16 -0.14 -1.26 -5.16 119.74 119.38 2kk6 s LYS 12 Ca 0.22 -0.28 -0.12 0.00 -1.36 0.00 0.00 55.97 54.43 2kk6 s LYS 12 Cb -0.15 -0.41 0.17 0.00 -1.68 0.00 0.00 37.83 35.75 2kk6 s LYS 12 CO 0.09 0.11 1.09 -1.25 -0.76 0.00 0.00 175.35 174.63 2kk6 s PRO 13 N -0.34 0.69 0.20 -1.68 0.04 -1.26 -4.75 135.00 127.90 2kk6 s PRO 13 Ca 0.00 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 2kk6 s PRO 13 Cb -0.03 -1.75 0.26 0.00 0.04 0.00 0.00 34.50 33.01 2kk6 s PRO 13 CO -0.00 -2.60 1.70 1.25 0.04 0.00 0.00 177.00 177.38 2kk6 h LEU 14 N -1.81 -0.08 -1.34 -3.56 5.85 -2.02 -1.28 115.31 111.09 2kk6 h LEU 14 Ca -0.53 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.36 2kk6 h LEU 14 Cb 1.31 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.47 2kk6 h LEU 14 CO 0.55 -0.02 0.48 0.00 -0.34 0.00 0.00 178.44 179.12 2kk6 h ALA 15 N 1.47 1.63 0.02 1.25 0.00 -1.94 -2.63 119.26 119.06 2kk6 h ALA 15 Ca 0.29 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 2kk6 h ALA 15 Cb 0.44 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kk6 h ALA 15 CO -0.41 0.28 -1.00 0.93 0.00 0.00 0.00 179.25 179.05 2kk6 h GLU 16 N 0.84 0.44 -6.09 0.00 4.39 -1.61 -3.45 114.58 109.09 2kk6 h GLU 16 Ca 0.31 -0.50 -0.79 0.00 0.34 0.00 0.00 59.36 58.72 2kk6 h GLU 16 Cb 0.15 0.15 0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2kk6 h GLU 16 CO -0.10 1.16 0.59 1.04 -1.16 0.00 0.00 179.01 180.54 2kk6 n GLN 17 N -3.74 0.54 0.10 2.33 1.13 -0.78 -4.83 117.38 112.13 2kk6 n GLN 17 Ca -0.08 0.20 0.04 0.00 -1.94 0.00 0.00 57.00 55.22 2kk6 n GLN 17 Cb 0.87 -1.78 0.44 0.00 0.11 0.00 0.00 30.24 29.88 2kk6 n GLN 17 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 2kk6 h ASP 18 N 5.19 0.28 1.03 1.08 2.03 -1.88 -0.02 116.42 124.13 2kk6 h ASP 18 Ca -0.47 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2kk6 h ASP 18 Cb 1.36 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2kk6 h ASP 18 CO 0.87 0.31 0.00 4.11 -1.03 0.00 0.00 179.24 183.50 2kk6 h TRP 19 N 0.31 0.00 -3.44 4.15 5.08 -1.88 -2.29 115.95 117.87 2kk6 h TRP 19 Ca 0.08 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.44 2kk6 h TRP 19 Cb 0.15 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.21 2kk6 h TRP 19 CO 0.00 0.00 0.29 -0.47 -1.28 0.00 0.00 178.44 176.99 2kk6 s TYR 20 N -3.52 3.24 -0.93 0.12 5.04 -0.02 -0.91 117.35 120.37 2kk6 s TYR 20 Ca 0.03 0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 55.47 2kk6 s TYR 20 Cb 0.09 -3.04 0.30 0.00 0.35 0.00 0.00 41.96 39.66 2kk6 s TYR 20 CO 0.51 -0.45 1.30 0.72 -1.34 0.00 0.00 175.55 176.29 2kk6 n HIS 21 N 5.97 2.78 -4.25 4.97 8.25 -0.04 -4.79 115.22 128.12 2kk6 n HIS 21 Ca 0.02 -3.07 -0.38 0.00 -0.26 0.00 0.00 57.72 54.03 2kk6 n HIS 21 Cb 0.48 -1.01 -0.07 0.00 1.12 0.00 0.00 29.99 30.51 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 0.91 -0.34 2.81 -1.41 0.00 -1.26 -0.96 105.19 104.93 2kk6 n GLY 22 Ca 0.30 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.76 -0.86 -1.76 4.61 0.00 -1.26 -4.90 120.51 112.59 2kk6 n ALA 23 Ca 0.07 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 2kk6 n ALA 23 Cb 0.43 -3.36 0.03 0.00 0.00 0.00 0.00 19.45 16.54 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 -3.14 2.66 0.89 0.00 -4.36 -0.14 -4.35 121.20 112.77 2kk6 s ILE 24 Ca 0.21 0.43 -0.13 0.00 -0.26 0.00 0.00 60.65 60.90 2kk6 s ILE 24 Cb -0.09 -3.18 0.05 0.00 1.25 0.00 0.00 42.46 40.48 2kk6 s ILE 24 CO 0.25 -0.07 0.63 -2.65 0.24 0.00 0.00 174.94 173.34 2kk6 n PRO 25 N -1.39 -0.17 -0.29 0.37 -0.02 -1.26 -4.74 135.00 127.50 2kk6 n PRO 25 Ca 0.12 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 2kk6 n PRO 25 Cb 0.49 -2.00 0.14 0.00 -0.02 0.00 0.00 33.50 32.12 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 -1.36 0.82 0.41 -0.52 2.43 -1.97 -1.62 114.38 112.58 2kk6 h ARG 26 Ca -0.44 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2kk6 h ARG 26 Cb 1.29 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 2kk6 h ARG 26 CO 0.38 0.54 -0.26 0.82 -1.51 0.00 0.00 179.97 179.94 2kk6 h ILE 27 N 0.85 0.46 -1.00 1.20 2.04 -2.00 -2.33 117.51 116.73 2kk6 h ILE 27 Ca 0.37 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.42 2kk6 h ILE 27 Cb 0.26 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 2kk6 h ILE 27 CO -0.21 0.00 0.60 -0.33 0.00 0.00 0.00 178.15 178.22 2kk6 h GLU 28 N -0.64 0.74 -0.77 2.37 4.39 -1.82 0.48 114.58 119.34 2kk6 h GLU 28 Ca -0.04 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2kk6 h GLU 28 Cb 0.53 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2kk6 h GLU 28 CO 0.04 0.49 0.26 0.00 -1.16 0.00 0.00 179.01 178.64 2kk6 h ALA 29 N 1.64 1.01 0.00 3.43 0.00 -1.00 -3.09 119.26 121.25 2kk6 h ALA 29 Ca 0.57 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 2kk6 h ALA 29 Cb 0.88 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kk6 h ALA 29 CO -0.38 0.67 -1.08 -0.56 0.00 0.00 0.00 179.25 177.90 2kk6 h GLN 30 N 1.13 0.00 0.00 0.00 3.07 -0.69 -3.32 115.11 115.30 2kk6 h GLN 30 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.93 2kk6 h GLN 30 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2kk6 h GLN 30 CO -0.01 0.79 -0.28 0.93 0.09 0.00 0.00 178.83 180.36 2kk6 h GLU 31 N 0.00 0.00 0.00 0.06 4.39 -0.88 -2.58 114.58 115.56 2kk6 h GLU 31 Ca -0.07 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2kk6 h GLU 31 Cb 1.75 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.38 2kk6 h GLU 31 CO 0.11 0.28 -0.71 1.37 -1.16 0.00 0.00 179.01 178.89 2kk6 h LEU 32 N 0.00 0.00 -8.51 1.33 8.10 -1.65 -3.43 115.31 111.15 2kk6 h LEU 32 Ca -0.00 0.00 -0.41 0.00 0.11 0.00 0.00 57.88 57.58 2kk6 h LEU 32 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2kk6 h LEU 32 CO 0.04 0.61 1.29 -0.76 -4.11 0.00 0.00 178.44 175.50 2kk6 s LEU 33 N -6.43 3.29 -0.01 0.17 1.43 -0.97 -4.74 118.68 111.42 2kk6 s LEU 33 Ca 0.03 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 53.76 2kk6 s LEU 33 Cb 0.08 -2.52 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 2kk6 s LEU 33 CO 0.77 -2.83 0.15 2.29 0.23 0.00 0.00 176.35 176.96 2kk6 n LYS 34 N 9.04 1.76 -3.98 1.70 2.85 -1.26 -5.01 118.16 123.26 2kk6 n LYS 34 Ca 0.33 -0.03 -0.09 0.00 -1.05 0.00 0.00 58.31 57.46 2kk6 n LYS 34 Cb 0.52 -1.01 -0.08 0.00 -0.65 0.00 0.00 35.03 33.81 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 -2.11 0.96 -0.51 -1.58 -2.85 -1.26 -5.10 119.74 107.29 2kk6 s LYS 35 Ca -0.01 -1.16 -0.27 0.00 -1.00 0.00 0.00 55.97 53.53 2kk6 s LYS 35 Cb 0.04 0.32 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2kk6 s LYS 35 CO 0.23 -0.31 2.02 -1.14 0.10 0.00 0.00 175.35 176.24 2kk6 s GLN 36 N -3.94 2.62 0.00 1.78 2.00 -1.26 -2.72 119.66 118.13 2kk6 s GLN 36 Ca 0.14 1.03 0.00 0.00 -2.00 0.00 0.00 55.36 54.52 2kk6 s GLN 36 Cb 0.05 -4.41 0.00 0.00 0.80 0.00 0.00 33.01 29.45 2kk6 s GLN 36 CO -0.04 -2.71 0.00 0.41 -0.50 0.00 0.00 175.29 172.45 2kk6 n GLY 37 N 5.74 1.36 3.63 2.59 0.00 -0.34 -4.98 105.19 113.18 2kk6 n GLY 37 Ca 0.26 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.80 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 2.29 -3.88 1.61 8.00 -1.10 -3.89 116.55 119.58 2kk6 n ASP 38 Ca 0.00 1.11 -0.11 0.00 0.71 0.00 0.00 54.79 56.50 2kk6 n ASP 38 Cb 0.00 -1.32 -0.10 0.00 -0.02 0.00 0.00 41.12 39.68 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 0.42 0.04 -0.01 1.24 -0.71 -1.26 -0.26 117.98 117.44 2kk6 s PHE 39 Ca 0.78 -0.10 -0.16 0.00 -1.04 0.00 0.00 56.93 56.41 2kk6 s PHE 39 Cb -0.79 -0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.00 2kk6 s PHE 39 CO 0.45 -0.25 0.33 -0.48 -1.34 0.00 0.00 175.22 173.93 2kk6 s LEU 40 N -1.18 0.77 -0.18 -1.99 2.34 -0.27 -3.68 118.68 114.50 2kk6 s LEU 40 Ca -0.13 0.08 -0.06 0.00 0.06 0.00 0.00 54.13 54.08 2kk6 s LEU 40 Cb -0.07 1.35 -0.04 0.00 -0.56 0.00 0.00 46.19 46.87 2kk6 s LEU 40 CO 0.01 -0.48 0.03 -0.69 -1.06 0.00 0.00 176.35 174.17 2kk6 s VAL 41 N -1.48 4.51 0.12 1.48 1.01 -0.09 -0.90 120.40 125.06 2kk6 s VAL 41 Ca -0.12 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.78 2kk6 s VAL 41 Cb -0.04 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2kk6 s VAL 41 CO 0.04 0.47 -0.15 0.00 0.00 0.00 0.00 175.10 175.46 2kk6 s ARG 42 N 0.40 1.03 0.01 2.72 1.70 -0.75 -0.86 118.95 123.20 2kk6 s ARG 42 Ca 0.01 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 54.04 2kk6 s ARG 42 Cb -0.13 -0.95 -0.04 0.00 -0.57 0.00 0.00 34.95 33.26 2kk6 s ARG 42 CO 0.01 0.19 0.14 -2.00 -1.08 0.00 0.00 175.30 172.56 2kk6 s GLU 43 N -2.56 3.26 -0.02 3.89 2.12 -1.26 -0.66 118.70 123.47 2kk6 s GLU 43 Ca 0.08 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.69 2kk6 s GLU 43 Cb -0.06 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 2kk6 s GLU 43 CO 0.03 0.65 0.95 0.45 -0.54 0.00 0.00 175.26 176.80 2kk6 s SER 44 N -2.01 7.31 0.48 -1.70 0.15 0.22 -4.18 113.70 113.97 2kk6 s SER 44 Ca 0.27 1.59 0.28 0.00 0.70 0.00 0.00 55.95 58.79 2kk6 s SER 44 Cb -0.12 -2.55 0.97 0.00 -1.71 0.00 0.00 66.02 62.61 2kk6 s SER 44 CO 0.19 -0.27 1.84 0.45 1.20 0.00 0.00 173.24 176.65 2kk6 h HIS 45 N 6.83 0.00 0.22 3.44 3.86 -1.90 -3.20 115.15 124.40 2kk6 h HIS 45 Ca -0.40 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.49 2kk6 h HIS 45 Cb 1.21 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.71 2kk6 h HIS 45 CO 0.68 0.10 -1.45 0.78 0.86 0.00 0.00 177.93 178.90 2kk6 h GLY 46 N 2.46 0.53 -7.23 2.45 0.00 -1.96 -3.43 103.07 95.89 2kk6 h GLY 46 Ca -0.00 -1.34 -0.60 0.00 0.00 0.00 0.00 47.33 45.39 2kk6 h GLY 46 CO 0.01 1.18 -0.75 1.25 0.00 0.00 0.00 176.54 178.23 2kk6 s LYS 47 N -2.61 0.85 0.00 4.80 2.20 -1.21 -5.11 119.74 118.66 2kk6 s LYS 47 Ca -0.08 -1.23 -0.32 0.00 -0.36 0.00 0.00 55.97 53.98 2kk6 s LYS 47 Cb 0.05 -2.18 -0.10 0.00 -1.51 0.00 0.00 37.83 34.09 2kk6 s LYS 47 CO 0.92 -0.99 1.93 -0.35 -0.36 0.00 0.00 175.35 176.51 2kk6 n PRO 48 N 4.70 2.64 0.00 4.03 -0.04 -1.21 -1.32 135.00 143.80 2kk6 n PRO 48 Ca -0.01 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2kk6 n PRO 48 Cb 0.42 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.99 2kk6 n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kk6 n GLY 49 N 4.48 2.76 3.55 0.55 0.00 -1.26 -5.04 105.19 110.23 2kk6 n GLY 49 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.51 2.91 -0.35 1.61 2.12 -0.44 -4.94 118.70 119.11 2kk6 s GLU 50 Ca 0.00 -0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.13 2kk6 s GLU 50 Cb 0.00 -4.55 -0.00 0.00 0.26 0.00 0.00 34.13 29.83 2kk6 s GLU 50 CO 0.00 -2.59 0.52 0.71 -0.54 0.00 0.00 175.26 173.37 2kk6 s TYR 51 N 7.67 3.18 -0.16 5.30 1.51 -1.26 -0.61 117.35 132.98 2kk6 s TYR 51 Ca 0.55 0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 2kk6 s TYR 51 Cb -0.09 -2.94 -0.01 0.00 -0.11 0.00 0.00 41.96 38.81 2kk6 s TYR 51 CO 0.12 -0.54 -0.11 0.08 -1.11 0.00 0.00 175.55 173.98 2kk6 s VAL 52 N 2.42 3.10 -0.39 0.71 1.01 0.17 -1.03 120.40 126.39 2kk6 s VAL 52 Ca 0.19 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 2kk6 s VAL 52 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2kk6 s VAL 52 CO 0.13 0.50 0.82 -0.22 0.00 0.00 0.00 175.10 176.33 2kk6 s LEU 53 N 0.69 4.12 -0.26 3.92 2.96 0.38 -1.80 118.68 128.68 2kk6 s LEU 53 Ca -0.05 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 2kk6 s LEU 53 Cb -0.15 -3.06 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 2kk6 s LEU 53 CO 0.02 -0.82 0.08 -0.44 -1.32 0.00 0.00 176.35 173.87 2kk6 s SER 54 N 1.96 5.16 -0.00 3.68 0.01 -0.08 -0.70 113.70 123.73 2kk6 s SER 54 Ca 0.32 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2kk6 s SER 54 Cb -0.12 -1.92 -0.00 0.00 0.21 0.00 0.00 66.02 64.18 2kk6 s SER 54 CO 0.19 -0.08 -0.01 0.54 0.41 0.00 0.00 173.24 174.29 2kk6 s VAL 55 N 1.59 0.12 -0.63 3.43 0.11 -0.58 -1.11 120.40 123.34 2kk6 s VAL 55 Ca 0.06 -0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.80 2kk6 s VAL 55 Cb -0.16 -0.11 0.05 0.00 -1.53 0.00 0.00 36.38 34.63 2kk6 s VAL 55 CO 0.04 0.04 1.02 -0.47 -3.33 0.00 0.00 175.10 172.40 2kk6 s TYR 56 N -0.01 2.65 -0.01 1.54 5.04 0.64 0.07 117.35 127.28 2kk6 s TYR 56 Ca 0.00 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 2kk6 s TYR 56 Cb -0.01 -4.28 -0.01 0.00 0.35 0.00 0.00 41.96 38.02 2kk6 s TYR 56 CO -0.00 -1.60 -0.07 0.45 -1.34 0.00 0.00 175.55 172.98 2kk6 s SER 57 N 3.31 0.86 -1.15 4.32 0.15 -0.07 -1.20 113.70 119.92 2kk6 s SER 57 Ca 0.29 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2kk6 s SER 57 Cb -0.13 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2kk6 s SER 57 CO 0.16 0.09 0.00 0.47 1.20 0.00 0.00 173.24 175.15 2kk6 n ASP 58 N 2.92 -5.32 0.00 5.45 8.00 -1.26 -0.95 116.55 125.39 2kk6 n ASP 58 Ca -0.13 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.63 2kk6 n ASP 58 Cb 0.57 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.90 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 -0.30 0.82 3.57 0.44 0.00 -1.26 -5.05 105.19 103.41 2kk6 n GLY 59 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.30 2.07 -0.63 1.61 -0.21 -0.12 -5.08 119.66 116.99 2kk6 s GLN 60 Ca 0.00 -1.13 -0.26 0.00 0.02 0.00 0.00 55.36 53.99 2kk6 s GLN 60 Cb 0.00 -2.23 0.04 0.00 1.00 0.00 0.00 33.01 31.82 2kk6 s GLN 60 CO 0.00 0.48 1.10 1.03 -2.12 0.00 0.00 175.29 175.78 2kk6 s ARG 61 N -2.45 3.30 0.41 2.91 3.00 -1.26 -0.89 118.95 123.97 2kk6 s ARG 61 Ca 0.22 -0.23 -0.15 0.00 0.00 0.00 0.00 55.73 55.58 2kk6 s ARG 61 Cb -0.10 -4.11 -0.08 0.00 0.00 0.00 0.00 34.95 30.66 2kk6 s ARG 61 CO 0.14 -1.78 0.84 1.03 0.00 0.00 0.00 175.30 175.53 2kk6 s ARG 62 N 4.71 3.94 -0.10 3.54 1.81 0.11 -4.90 118.95 128.06 2kk6 s ARG 62 Ca 0.33 0.73 -0.03 0.00 -1.72 0.00 0.00 55.73 55.04 2kk6 s ARG 62 Cb -0.11 -2.31 0.05 0.00 -0.45 0.00 0.00 34.95 32.13 2kk6 s ARG 62 CO 0.18 -0.04 0.15 -1.01 -0.68 0.00 0.00 175.30 173.90 2kk6 s HIS 63 N -2.30 -0.13 -0.22 -0.53 3.76 -1.25 -1.52 115.29 113.09 2kk6 s HIS 63 Ca 0.55 0.45 0.01 0.00 -0.15 0.00 0.00 55.06 55.92 2kk6 s HIS 63 Cb -0.10 -0.33 0.05 0.00 1.11 0.00 0.00 32.58 33.30 2kk6 s HIS 63 CO 0.25 -0.32 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.66 2kk6 s PHE 64 N 2.27 2.61 0.22 1.40 0.08 0.12 -4.94 117.98 119.75 2kk6 s PHE 64 Ca 0.04 -1.79 -0.30 0.00 0.12 0.00 0.00 56.93 55.00 2kk6 s PHE 64 Cb -0.13 -1.70 -0.08 0.00 -0.57 0.00 0.00 43.02 40.54 2kk6 s PHE 64 CO -0.06 -0.78 1.03 0.42 -0.10 0.00 0.00 175.22 175.72 2kk6 s ILE 65 N 1.33 3.91 -0.21 0.64 1.01 -1.26 -0.47 121.20 126.14 2kk6 s ILE 65 Ca -0.04 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.22 2kk6 s ILE 65 Cb -0.17 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2kk6 s ILE 65 CO -0.07 0.38 0.59 -0.63 0.00 0.00 0.00 174.94 175.21 2kk6 s ILE 66 N -0.81 5.05 0.19 2.92 1.01 -0.19 -4.61 121.20 124.76 2kk6 s ILE 66 Ca 0.45 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 62.12 2kk6 s ILE 66 Cb -0.28 -3.90 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 2kk6 s ILE 66 CO 0.35 0.13 0.46 -1.10 0.00 0.00 0.00 174.94 174.78 2kk6 s GLN 67 N 1.87 3.69 -0.33 2.79 1.11 0.54 -4.71 119.66 124.62 2kk6 s GLN 67 Ca 0.27 0.05 0.01 0.00 0.01 0.00 0.00 55.36 55.70 2kk6 s GLN 67 Cb -0.16 -2.75 0.08 0.00 -1.01 0.00 0.00 33.01 29.18 2kk6 s GLN 67 CO 0.10 0.38 0.03 -0.47 0.01 0.00 0.00 175.29 175.34 2kk6 s TYR 68 N -1.77 3.49 -0.05 0.91 5.04 -1.26 -0.80 117.35 122.91 2kk6 s TYR 68 Ca 0.44 -2.45 0.01 0.00 -2.44 0.00 0.00 57.07 52.64 2kk6 s TYR 68 Cb -0.12 -2.56 0.02 0.00 0.35 0.00 0.00 41.96 39.66 2kk6 s TYR 68 CO 0.24 -0.90 -0.06 0.08 -1.34 0.00 0.00 175.55 173.57 2kk6 s VAL 69 N 1.08 0.63 -1.41 3.14 1.01 -0.65 -4.84 120.40 119.36 2kk6 s VAL 69 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 2kk6 s VAL 69 Cb -0.20 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.58 2kk6 s VAL 69 CO -0.05 0.24 0.67 0.47 0.00 0.00 0.00 175.10 176.44 2kk6 n ASP 70 N 3.96 -1.77 0.00 3.32 8.00 -1.26 -1.03 116.55 127.77 2kk6 n ASP 70 Ca -0.25 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2kk6 n ASP 70 Cb 0.51 -3.61 0.00 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.96 -0.63 -4.40 -2.24 4.13 -1.26 -4.96 115.26 102.94 2kk6 n ASN 71 Ca -0.21 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.72 2kk6 n ASN 71 Cb 0.64 -1.65 -0.14 0.00 -1.54 0.00 0.00 39.78 37.09 2kk6 n ASN 71 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2kk6 s MET 72 N -0.70 3.48 -0.09 3.52 -1.94 -0.20 -4.30 119.30 119.08 2kk6 s MET 72 Ca 0.00 -0.62 -0.27 0.00 -1.71 0.00 0.00 55.69 53.10 2kk6 s MET 72 Cb 0.00 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.00 2kk6 s MET 72 CO 0.00 0.13 0.86 0.71 -0.01 0.00 0.00 175.02 176.70 2kk6 s TYR 73 N 0.62 3.54 0.13 -0.03 2.02 0.18 -1.63 117.35 122.18 2kk6 s TYR 73 Ca -0.05 1.42 0.04 0.00 -0.37 0.00 0.00 57.07 58.11 2kk6 s TYR 73 Cb -0.15 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.36 2kk6 s TYR 73 CO 0.03 -0.09 -0.10 -0.98 -1.57 0.00 0.00 175.55 172.85 2kk6 s ARG 74 N 1.45 1.01 -0.19 -0.62 3.03 0.02 -1.01 118.95 122.64 2kk6 s ARG 74 Ca 0.43 -1.41 -0.15 0.00 2.03 0.00 0.00 55.73 56.64 2kk6 s ARG 74 Cb -0.18 -0.55 -0.09 0.00 -1.03 0.00 0.00 34.95 33.09 2kk6 s ARG 74 CO 0.19 0.06 -0.13 1.19 -1.13 0.00 0.00 175.30 175.48 2kk6 n PHE 75 N -0.10 0.66 -0.03 5.89 3.72 -1.26 -0.34 117.46 126.00 2kk6 n PHE 75 Ca -0.11 0.29 -0.06 0.00 -0.05 0.00 0.00 57.45 57.52 2kk6 n PHE 75 Cb 0.60 -0.84 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 2kk6 n PHE 75 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kk6 n GLU 76 N -4.49 0.16 0.10 -1.08 0.28 -1.26 -4.67 120.64 109.68 2kk6 n GLU 76 Ca -0.22 0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2kk6 n GLU 76 Cb 0.51 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.38 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 2.95 -1.55 3.69 -1.84 0.00 -1.26 -5.10 105.19 102.08 2kk6 n GLY 77 Ca -0.13 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.42 2.89 0.20 2.61 2.01 -1.26 -4.79 115.64 115.88 2kk6 s THR 78 Ca 0.00 0.39 -0.03 0.00 0.31 0.00 0.00 61.69 62.36 2kk6 s THR 78 Cb 0.00 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.27 2kk6 s THR 78 CO 0.00 0.00 0.32 0.61 -0.69 0.00 0.00 174.62 174.86 2kk6 n GLY 79 N 4.03 2.24 3.29 4.40 0.00 -1.26 -4.16 105.19 113.72 2kk6 n GLY 79 Ca 0.16 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.28 1.68 0.44 1.61 0.40 -0.18 -4.85 117.98 112.80 2kk6 s PHE 80 Ca 0.14 -0.47 0.32 0.00 -0.60 0.00 0.00 56.93 56.32 2kk6 s PHE 80 Cb -0.01 -0.88 1.68 0.00 0.51 0.00 0.00 43.02 44.32 2kk6 s PHE 80 CO 0.10 0.23 2.14 0.77 0.70 0.00 0.00 175.22 179.16 2kk6 h SER 81 N 3.65 0.00 -3.98 1.36 0.02 -1.85 0.50 113.55 113.25 2kk6 h SER 81 Ca -0.43 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.83 2kk6 h SER 81 Cb 1.19 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.43 2kk6 h SER 81 CO 0.46 0.07 -0.87 0.20 -1.14 0.00 0.00 176.83 175.55 2kk6 s ASN 82 N -5.88 3.23 0.14 3.07 -0.87 -1.26 -4.48 114.94 108.88 2kk6 s ASN 82 Ca -0.03 -0.47 -0.18 0.00 -1.57 0.00 0.00 52.86 50.61 2kk6 s ASN 82 Cb 0.13 -0.88 -0.03 0.00 -0.02 0.00 0.00 41.25 40.44 2kk6 s ASN 82 CO 0.54 0.25 1.79 0.40 -2.57 0.00 0.00 177.10 177.51 2kk6 h ILE 83 N 5.00 1.07 -0.59 0.60 2.04 -1.93 0.20 117.51 123.89 2kk6 h ILE 83 Ca -0.33 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.49 2kk6 h ILE 83 Cb 1.18 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 2kk6 h ILE 83 CO 0.48 0.07 0.20 1.55 0.00 0.00 0.00 178.15 180.45 2kk6 h PRO 84 N 0.39 0.35 -0.07 2.37 0.13 -1.97 -1.97 132.00 131.23 2kk6 h PRO 84 Ca 0.11 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 2kk6 h PRO 84 Cb -0.04 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 30.99 2kk6 h PRO 84 CO -0.02 0.23 -0.54 1.96 -0.23 0.00 0.00 178.00 179.40 2kk6 h GLN 85 N 0.36 0.20 0.37 0.86 1.08 -1.91 0.61 115.11 116.68 2kk6 h GLN 85 Ca 0.30 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2kk6 h GLN 85 Cb 0.39 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2kk6 h GLN 85 CO -0.32 0.69 -0.39 1.25 -0.95 0.00 0.00 178.83 179.10 2kk6 h LEU 86 N 0.15 -1.08 0.05 1.46 5.85 0.03 0.39 115.31 122.17 2kk6 h LEU 86 Ca 0.00 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2kk6 h LEU 86 Cb 1.00 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2kk6 h LEU 86 CO 0.08 -0.54 -0.02 0.40 -0.34 0.00 0.00 178.44 178.02 2kk6 h ILE 87 N -0.79 1.22 -0.08 4.05 1.08 -1.36 -2.79 117.51 118.84 2kk6 h ILE 87 Ca -0.03 -0.94 0.04 0.00 -0.39 0.00 0.00 64.86 63.54 2kk6 h ILE 87 Cb 0.72 1.84 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 2kk6 h ILE 87 CO -0.08 0.23 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.62 2kk6 h ASP 88 N -0.49 -0.65 -0.15 1.72 3.58 -0.90 0.75 116.42 120.27 2kk6 h ASP 88 Ca -0.01 0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.47 2kk6 h ASP 88 Cb 0.44 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2kk6 h ASP 88 CO 0.01 -0.27 -0.12 -0.74 -2.88 0.00 0.00 179.24 175.24 2kk6 h HIS 89 N -0.30 0.55 -0.33 0.28 2.76 -1.01 0.92 115.15 118.03 2kk6 h HIS 89 Ca 0.09 -0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2kk6 h HIS 89 Cb 0.42 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2kk6 h HIS 89 CO -0.30 0.62 -0.03 0.45 -1.30 0.00 0.00 177.93 177.37 2kk6 h HIS 90 N 0.48 0.67 -0.23 5.26 3.86 -1.18 -2.29 115.15 121.72 2kk6 h HIS 90 Ca 0.09 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2kk6 h HIS 90 Cb 0.49 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2kk6 h HIS 90 CO 0.02 0.75 0.10 -0.92 0.86 0.00 0.00 177.93 178.73 2kk6 h TYR 91 N 0.40 0.34 0.00 2.45 3.20 -0.31 0.66 116.97 123.71 2kk6 h TYR 91 Ca 0.09 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2kk6 h TYR 91 Cb 0.50 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2kk6 h TYR 91 CO 0.04 0.36 -0.35 1.79 -1.64 0.00 0.00 178.16 178.36 2kk6 h THR 92 N 0.22 0.96 -0.00 1.81 1.35 -0.89 -2.60 112.91 113.76 2kk6 h THR 92 Ca 0.08 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2kk6 h THR 92 Cb 0.16 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2kk6 h THR 92 CO -0.01 0.34 -0.66 0.35 -0.25 0.00 0.00 175.52 175.30 2kk6 n THR 93 N -3.71 0.00 -1.88 6.82 -2.24 -0.86 -4.97 114.28 107.44 2kk6 n THR 93 Ca -0.01 -0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2kk6 n THR 93 Cb 0.44 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.16 2kk6 n THR 93 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kk6 n LYS 94 N -1.44 -1.15 -2.43 -0.78 3.00 0.17 -5.00 118.16 110.53 2kk6 n LYS 94 Ca 0.05 0.89 -0.25 0.00 -0.00 0.00 0.00 58.31 59.00 2kk6 n LYS 94 Cb 0.34 -5.14 0.05 0.00 0.00 0.00 0.00 35.03 30.27 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 -4.05 2.55 0.62 1.64 -1.52 -0.84 -4.77 119.66 113.29 2kk6 s GLN 95 Ca 0.00 -0.34 -0.12 0.00 -1.95 0.00 0.00 55.36 52.94 2kk6 s GLN 95 Cb 0.00 -2.31 -0.04 0.00 -0.22 0.00 0.00 33.01 30.45 2kk6 s GLN 95 CO 0.00 -0.88 1.03 0.14 -0.25 0.00 0.00 175.29 175.33 2kk6 s VAL 96 N -3.00 4.42 -0.03 1.09 -7.23 -1.26 -4.01 120.40 110.38 2kk6 s VAL 96 Ca 0.57 0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 61.62 2kk6 s VAL 96 Cb -0.11 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 2kk6 s VAL 96 CO 0.43 -0.93 -0.01 0.40 -0.31 0.00 0.00 175.10 174.67 2kk6 h ILE 97 N -0.11 0.00 -4.30 -0.62 1.08 -0.91 -3.48 117.51 109.17 2kk6 h ILE 97 Ca -0.45 -0.30 -0.69 0.00 -0.39 0.00 0.00 64.86 63.03 2kk6 h ILE 97 Cb 1.20 0.00 -0.31 0.00 -3.07 0.00 0.00 36.82 34.64 2kk6 h ILE 97 CO 0.60 0.00 -0.89 0.42 -0.69 0.00 0.00 178.15 177.59 2kk6 s THR 98 N -1.22 2.05 0.44 -0.27 -4.23 -1.26 -4.81 115.64 106.33 2kk6 s THR 98 Ca -0.01 -1.09 0.15 0.00 -1.18 0.00 0.00 61.69 59.56 2kk6 s THR 98 Cb 0.00 -1.72 0.18 0.00 1.34 0.00 0.00 72.50 72.30 2kk6 s THR 98 CO 0.02 0.57 1.98 0.11 -0.54 0.00 0.00 174.62 176.76 2kk6 h LYS 99 N 5.79 0.00 -0.75 3.99 1.79 -1.98 0.63 116.57 126.04 2kk6 h LYS 99 Ca -0.37 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.17 2kk6 h LYS 99 Cb 1.15 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.75 2kk6 h LYS 99 CO 0.47 0.20 0.49 0.87 -1.08 0.00 0.00 179.45 180.41 2kk6 h LYS 100 N 0.00 0.74 0.00 3.15 6.56 -2.03 -3.34 116.57 121.64 2kk6 h LYS 100 Ca -0.00 -0.04 -0.24 0.00 -1.06 0.00 0.00 60.65 59.30 2kk6 h LYS 100 Cb 0.37 -0.17 -0.04 0.00 -0.57 0.00 0.00 32.23 31.82 2kk6 h LYS 100 CO 0.03 0.49 -1.73 -1.13 -2.06 0.00 0.00 179.45 175.05 2kk6 n SER 101 N -4.49 1.52 -0.17 0.86 3.41 -0.90 -5.06 113.62 108.79 2kk6 n SER 101 Ca 0.11 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2kk6 n SER 101 Cb 0.25 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.80 1.01 3.69 5.00 0.00 0.17 -5.07 105.19 111.79 2kk6 n GLY 102 Ca -0.31 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.34 5.03 0.02 1.61 1.01 -1.26 -4.92 120.40 119.55 2kk6 s VAL 103 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2kk6 s VAL 103 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2kk6 s VAL 103 CO 0.00 0.18 0.08 -0.69 0.00 0.00 0.00 175.10 174.68 2kk6 s VAL 104 N 1.33 4.68 -0.34 2.92 1.01 -1.26 -0.16 120.40 128.58 2kk6 s VAL 104 Ca 0.33 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.62 2kk6 s VAL 104 Cb -0.17 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 2kk6 s VAL 104 CO 0.14 0.29 0.57 -0.76 0.00 0.00 0.00 175.10 175.33 2kk6 s LEU 105 N -1.92 4.27 0.15 3.92 1.43 -1.26 -4.86 118.68 120.42 2kk6 s LEU 105 Ca 0.25 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2kk6 s LEU 105 Cb -0.12 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2kk6 s LEU 105 CO 0.16 -0.51 0.14 -1.48 0.23 0.00 0.00 176.35 174.90 2kk6 s LEU 106 N 2.52 1.44 -0.10 1.79 2.34 -1.25 -4.73 118.68 120.69 2kk6 s LEU 106 Ca 0.21 -1.10 -0.09 0.00 0.06 0.00 0.00 54.13 53.21 2kk6 s LEU 106 Cb -0.15 0.62 0.01 0.00 -0.56 0.00 0.00 46.19 46.12 2kk6 s LEU 106 CO 0.13 -0.80 0.15 -0.46 -1.06 0.00 0.00 176.35 174.32 2kk6 n ASN 107 N -0.15 -3.04 -4.77 1.48 2.04 -1.26 -4.15 115.26 105.41 2kk6 n ASN 107 Ca -0.06 0.07 -0.35 0.00 -0.44 0.00 0.00 54.58 53.81 2kk6 n ASN 107 Cb 0.64 -0.79 0.03 0.00 -2.53 0.00 0.00 39.78 37.12 2kk6 n ASN 107 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 2kk6 s PRO 108 N -0.83 3.05 -0.37 -0.53 0.04 -1.26 -4.26 135.00 130.83 2kk6 s PRO 108 Ca 0.09 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 2kk6 s PRO 108 Cb -0.01 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2kk6 s PRO 108 CO 0.20 -1.09 0.20 0.42 0.04 0.00 0.00 177.00 176.77 2kk6 s ILE 109 N -1.93 4.56 1.03 0.56 -1.09 -1.24 -4.96 121.20 118.12 2kk6 s ILE 109 Ca 0.72 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 58.13 2kk6 s ILE 109 Cb -0.24 -3.53 0.22 0.00 -1.58 0.00 0.00 42.46 37.32 2kk6 s ILE 109 CO 0.33 -0.22 1.24 -2.16 -1.23 0.00 0.00 174.94 172.91 2kk6 s PRO 110 N 1.55 0.15 -0.03 2.79 0.04 -1.26 -3.99 135.00 134.25 2kk6 s PRO 110 Ca 0.02 -0.24 -0.03 0.00 0.04 0.00 0.00 61.00 60.79 2kk6 s PRO 110 Cb -0.19 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.59 2kk6 s PRO 110 CO 0.07 -2.77 0.09 -1.59 0.04 0.00 0.00 177.00 172.84 2kk6 s LYS 111 N -5.69 0.10 0.46 4.56 0.00 -0.86 -4.87 119.74 113.44 2kk6 s LYS 111 Ca 0.72 0.13 -0.19 0.00 0.00 0.00 0.00 55.97 56.63 2kk6 s LYS 111 Cb -0.07 0.04 -0.10 0.00 0.00 0.00 0.00 37.83 37.71 2kk6 s LYS 111 CO 0.54 -0.02 0.97 -0.51 0.00 0.00 0.00 175.35 176.33 2kk6 s ASP 112 N 0.08 6.79 -1.15 0.03 1.11 -1.26 -4.82 116.67 117.44 2kk6 s ASP 112 Ca -0.00 1.66 -0.20 0.00 0.18 0.00 0.00 52.55 54.19 2kk6 s ASP 112 Cb -0.01 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 2kk6 s ASP 112 CO -0.00 -0.47 1.92 0.29 1.18 0.00 0.00 175.17 178.09 2kk6 n LYS 113 N -1.01 2.16 -4.21 8.23 4.76 -1.26 -4.90 118.16 121.93 2kk6 n LYS 113 Ca 0.07 -2.54 -0.12 0.00 -2.87 0.00 0.00 58.31 52.84 2kk6 n LYS 113 Cb 0.54 -3.42 -0.10 0.00 -1.84 0.00 0.00 35.03 30.21 2kk6 n LYS 113 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2kk6 s LYS 114 N 5.09 1.00 0.00 1.97 -2.85 -1.26 -5.03 119.74 118.67 2kk6 s LYS 114 Ca 0.59 -1.46 0.06 0.00 -1.00 0.00 0.00 55.97 54.17 2kk6 s LYS 114 Cb 0.06 -0.25 0.05 0.00 -2.06 0.00 0.00 37.83 35.64 2kk6 s LYS 114 CO 0.09 -0.08 0.70 0.91 0.10 0.00 0.00 175.35 177.06 2kk6 n TRP 115 N -0.16 0.00 -0.68 1.78 7.02 -1.26 -5.19 117.44 118.95 2kk6 n TRP 115 Ca -0.09 -0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 2kk6 n TRP 115 Cb 0.62 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 2kk6 n TRP 115 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11