#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 -2.12 0.27 3.03 0.00 -1.26 -4.95 105.19 100.16 2kk6 n GLY 2 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.89 2kk6 n GLY 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2kk6 h HIS 3 N 0.00 0.00 -3.56 1.61 3.86 -2.12 -3.44 115.15 111.50 2kk6 h HIS 3 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 2kk6 h HIS 3 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2kk6 h HIS 3 CO 0.00 0.09 -0.04 0.72 0.86 0.00 0.00 177.93 179.56 2kk6 n HIS 4 N -3.62 0.05 -2.93 2.45 -0.00 -1.26 -4.91 115.22 104.99 2kk6 n HIS 4 Ca -0.02 -0.19 -0.21 0.00 -0.00 0.00 0.00 57.72 57.30 2kk6 n HIS 4 Cb 0.21 -0.01 0.03 0.00 -0.00 0.00 0.00 29.99 30.21 2kk6 n HIS 4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kk6 n HIS 5 N -0.08 -1.81 -3.52 4.41 -0.00 -1.26 -4.88 115.22 108.08 2kk6 n HIS 5 Ca -0.01 0.46 -0.29 0.00 -0.00 0.00 0.00 57.72 57.88 2kk6 n HIS 5 Cb 0.05 -4.34 -0.13 0.00 -0.00 0.00 0.00 29.99 25.57 2kk6 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kk6 s HIS 6 N -3.15 0.79 -0.92 4.41 0.00 -1.26 -4.83 115.29 110.33 2kk6 s HIS 6 Ca 0.26 -1.50 -0.20 0.00 -3.00 0.00 0.00 55.06 50.62 2kk6 s HIS 6 Cb -0.12 -1.05 0.11 0.00 -4.00 0.00 0.00 32.58 27.53 2kk6 s HIS 6 CO 0.33 -0.83 1.17 -1.58 -1.00 0.00 0.00 174.74 172.82 2kk6 s HIS 7 N 1.31 2.97 -0.54 0.38 5.04 -1.26 -4.99 115.29 118.21 2kk6 s HIS 7 Ca 0.15 -1.21 -0.28 0.00 -1.54 0.00 0.00 55.06 52.18 2kk6 s HIS 7 Cb -0.21 -4.35 0.01 0.00 0.04 0.00 0.00 32.58 28.06 2kk6 s HIS 7 CO -0.11 -1.58 1.49 -1.58 -2.34 0.00 0.00 174.74 170.62 2kk6 s HIS 8 N 3.22 2.19 0.05 3.88 5.65 -1.26 -4.91 115.29 124.11 2kk6 s HIS 8 Ca 0.34 0.53 -0.27 0.00 0.25 0.00 0.00 55.06 55.91 2kk6 s HIS 8 Cb -0.05 -4.34 0.09 0.00 -1.18 0.00 0.00 32.58 27.11 2kk6 s HIS 8 CO -0.08 -2.09 1.20 0.45 -0.65 0.00 0.00 174.74 173.57 2kk6 s SER 9 N 4.89 -0.01 -0.15 9.88 0.15 -1.26 -5.08 113.70 122.12 2kk6 s SER 9 Ca 0.57 -0.35 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 2kk6 s SER 9 Cb -0.12 0.27 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 2kk6 s SER 9 CO 0.26 -0.53 -0.07 0.45 1.20 0.00 0.00 173.24 174.55 2kk6 h HIS 10 N 2.00 0.00 -2.45 3.44 -0.00 -2.08 -3.51 115.15 112.56 2kk6 h HIS 10 Ca -0.25 0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.33 2kk6 h HIS 10 Cb 1.20 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.57 2kk6 h HIS 10 CO 1.20 0.31 0.68 0.00 -0.00 0.00 0.00 177.93 180.13 2kk6 s MET 11 N -2.21 1.05 -0.10 2.45 0.00 -1.26 -5.16 119.30 114.07 2kk6 s MET 11 Ca -0.16 -0.68 -0.05 0.00 0.00 0.00 0.00 55.69 54.79 2kk6 s MET 11 Cb 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 2kk6 s MET 11 CO 0.28 -0.49 0.09 0.15 0.00 0.00 0.00 175.02 175.05 2kk6 s LYS 12 N -2.06 3.28 0.91 3.16 -0.14 -1.26 -5.11 119.74 118.52 2kk6 s LYS 12 Ca 0.25 -0.23 -0.11 0.00 -1.36 0.00 0.00 55.97 54.52 2kk6 s LYS 12 Cb -0.02 -3.05 0.14 0.00 -1.68 0.00 0.00 37.83 33.22 2kk6 s LYS 12 CO 0.04 0.75 1.12 -1.25 -0.76 0.00 0.00 175.35 175.25 2kk6 s PRO 13 N -1.02 1.04 0.25 -1.68 0.04 -1.26 -4.70 135.00 127.68 2kk6 s PRO 13 Ca 0.15 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 2kk6 s PRO 13 Cb -0.12 -1.74 0.49 0.00 0.04 0.00 0.00 34.50 33.17 2kk6 s PRO 13 CO 0.04 -2.55 1.70 1.25 0.04 0.00 0.00 177.00 177.48 2kk6 h LEU 14 N -1.80 0.14 -0.63 -3.56 5.85 -1.97 -0.63 115.31 112.70 2kk6 h LEU 14 Ca -0.46 0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.43 2kk6 h LEU 14 Cb 1.27 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 2kk6 h LEU 14 CO 0.45 0.01 0.39 0.00 -0.34 0.00 0.00 178.44 178.95 2kk6 h ALA 15 N 1.60 0.82 0.00 1.25 0.00 -1.93 -2.48 119.26 118.52 2kk6 h ALA 15 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2kk6 h ALA 15 Cb 0.73 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kk6 h ALA 15 CO -0.48 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.29 2kk6 n GLU 16 N -4.72 0.24 -1.67 0.00 1.02 -0.34 -4.82 120.64 110.35 2kk6 n GLU 16 Ca 0.06 0.23 -0.43 0.00 -0.02 0.00 0.00 57.16 57.00 2kk6 n GLU 16 Cb 0.09 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 29.68 2kk6 n GLU 16 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kk6 n GLN 17 N -2.22 2.72 -0.07 3.49 1.13 -0.61 -4.89 117.38 116.93 2kk6 n GLN 17 Ca 0.05 0.99 -0.03 0.00 -1.94 0.00 0.00 57.00 56.07 2kk6 n GLN 17 Cb 0.40 -2.91 0.19 0.00 0.11 0.00 0.00 30.24 28.03 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 9.81 0.67 0.67 1.08 3.04 -1.88 -1.62 116.42 128.20 2kk6 h ASP 18 Ca -0.49 -0.16 -0.00 0.00 -3.24 0.00 0.00 57.03 53.14 2kk6 h ASP 18 Cb 1.24 -0.18 -0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2kk6 h ASP 18 CO 0.94 0.76 -0.02 4.11 -2.04 0.00 0.00 179.24 182.99 2kk6 h TRP 19 N 0.66 0.00 -2.49 4.15 5.08 -1.91 -2.92 115.95 118.52 2kk6 h TRP 19 Ca 0.13 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.46 2kk6 h TRP 19 Cb 0.45 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.46 2kk6 h TRP 19 CO 0.02 0.02 0.70 -0.47 -1.28 0.00 0.00 178.44 177.43 2kk6 s TYR 20 N -3.85 2.74 -1.93 0.12 5.04 -0.61 -1.07 117.35 117.79 2kk6 s TYR 20 Ca -0.01 -0.73 0.30 0.00 -2.44 0.00 0.00 57.07 54.20 2kk6 s TYR 20 Cb 0.10 -4.34 1.52 0.00 0.35 0.00 0.00 41.96 39.60 2kk6 s TYR 20 CO 0.51 -1.66 2.02 0.72 -1.34 0.00 0.00 175.55 175.80 2kk6 n HIS 21 N 7.62 0.00 -0.79 4.97 8.25 -0.96 -4.78 115.22 129.53 2kk6 n HIS 21 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2kk6 n HIS 21 Cb 0.47 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 1.14 0.38 2.17 -1.41 0.00 -1.26 -4.37 105.19 101.85 2kk6 n GLY 22 Ca 0.19 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.37 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 1.61 5.64 -1.60 4.61 0.00 -1.26 -0.31 120.51 129.20 2kk6 n ALA 23 Ca 0.00 -3.02 -0.38 0.00 0.00 0.00 0.00 53.44 50.03 2kk6 n ALA 23 Cb 0.00 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.05 2kk6 n ALA 23 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2kk6 n ILE 24 N -1.11 3.40 -0.83 0.00 -5.35 -1.26 -4.35 119.36 109.87 2kk6 n ILE 24 Ca 0.59 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 62.25 2kk6 n ILE 24 Cb 1.46 -1.12 0.15 0.00 -1.74 0.00 0.00 39.64 38.39 2kk6 n ILE 24 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2kk6 s PRO 25 N -2.60 1.30 0.24 6.28 0.04 -1.26 -4.74 135.00 134.26 2kk6 s PRO 25 Ca 0.73 1.47 -0.05 0.00 0.04 0.00 0.00 61.00 63.19 2kk6 s PRO 25 Cb -0.44 -1.77 0.36 0.00 0.04 0.00 0.00 34.50 32.70 2kk6 s PRO 25 CO 0.49 -2.41 1.81 -0.09 0.04 0.00 0.00 177.00 176.84 2kk6 h ARG 26 N -1.69 0.75 0.25 4.56 2.43 -1.98 -2.47 114.38 116.23 2kk6 h ARG 26 Ca -0.43 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 2kk6 h ARG 26 Cb 1.26 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2kk6 h ARG 26 CO 0.44 0.49 -0.38 0.82 -1.51 0.00 0.00 179.97 179.83 2kk6 h ILE 27 N 0.77 0.22 -0.79 1.20 2.04 -2.00 -1.86 117.51 117.09 2kk6 h ILE 27 Ca 0.37 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.40 2kk6 h ILE 27 Cb 0.32 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 2kk6 h ILE 27 CO -0.23 0.00 0.53 -0.33 0.00 0.00 0.00 178.15 178.12 2kk6 h GLU 28 N -0.70 0.36 -0.28 2.37 4.39 -1.83 -0.28 114.58 118.62 2kk6 h GLU 28 Ca -0.00 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 2kk6 h GLU 28 Cb 0.67 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2kk6 h GLU 28 CO -0.14 0.24 -0.49 0.00 -1.16 0.00 0.00 179.01 177.46 2kk6 h ALA 29 N 1.64 0.61 0.00 3.43 0.00 -0.97 -3.27 119.26 120.70 2kk6 h ALA 29 Ca 0.39 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 2kk6 h ALA 29 Cb 0.99 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 2kk6 h ALA 29 CO -0.12 0.68 -1.39 -0.56 0.00 0.00 0.00 179.25 177.85 2kk6 h GLN 30 N 0.60 0.01 -0.03 0.00 3.07 -0.47 -3.37 115.11 114.91 2kk6 h GLN 30 Ca 0.03 -0.01 -0.13 0.00 0.09 0.00 0.00 58.65 58.63 2kk6 h GLN 30 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.61 2kk6 h GLN 30 CO 0.10 0.73 -0.57 0.93 0.09 0.00 0.00 178.83 180.11 2kk6 h GLU 31 N 0.00 0.11 0.00 0.06 4.39 -1.19 -3.10 114.58 114.85 2kk6 h GLU 31 Ca -0.16 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2kk6 h GLU 31 Cb 1.91 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.57 2kk6 h GLU 31 CO 0.10 0.65 0.00 1.47 -1.16 0.00 0.00 179.01 180.07 2kk6 n LEU 32 N -3.87 0.00 -4.78 1.33 -0.00 -1.23 -4.82 117.00 103.63 2kk6 n LEU 32 Ca -0.02 0.48 -0.39 0.00 -0.00 0.00 0.00 56.01 56.08 2kk6 n LEU 32 Cb 0.59 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 43.46 2kk6 n LEU 32 CO 0.43 -0.04 0.48 -0.76 -0.00 0.00 0.00 177.39 177.49 2kk6 s LEU 33 N -2.97 4.59 0.00 1.47 1.43 -1.17 -4.97 118.68 117.06 2kk6 s LEU 33 Ca 0.14 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2kk6 s LEU 33 Cb 0.18 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.10 2kk6 s LEU 33 CO 0.48 0.21 0.00 2.29 0.23 0.00 0.00 176.35 179.56 2kk6 n LYS 34 N 1.56 0.00 -3.61 1.70 2.85 -1.26 -5.08 118.16 114.32 2kk6 n LYS 34 Ca -0.06 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.98 2kk6 n LYS 34 Cb 0.49 -0.18 -0.01 0.00 -0.65 0.00 0.00 35.03 34.67 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 -1.95 2.41 -0.57 -1.58 -2.85 -1.26 -5.06 119.74 108.88 2kk6 s LYS 35 Ca 0.00 -1.72 -0.28 0.00 -1.00 0.00 0.00 55.97 52.98 2kk6 s LYS 35 Cb 0.00 -2.31 0.02 0.00 -2.06 0.00 0.00 37.83 33.47 2kk6 s LYS 35 CO 0.00 -0.42 1.38 -1.14 0.10 0.00 0.00 175.35 175.27 2kk6 s GLN 36 N -4.24 3.32 0.00 1.78 0.74 -1.25 -3.56 119.66 116.45 2kk6 s GLN 36 Ca 0.45 0.40 0.00 0.00 0.05 0.00 0.00 55.36 56.26 2kk6 s GLN 36 Cb -0.03 -4.11 0.00 0.00 1.10 0.00 0.00 33.01 29.97 2kk6 s GLN 36 CO 0.27 -1.91 0.00 0.41 -0.55 0.00 0.00 175.29 173.51 2kk6 n GLY 37 N 5.24 2.69 3.68 2.59 0.00 0.48 -4.97 105.19 114.90 2kk6 n GLY 37 Ca 0.12 -0.30 -0.50 0.00 0.00 0.00 0.00 46.02 45.33 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 3.17 -4.01 1.61 8.00 -1.23 -3.79 116.55 120.29 2kk6 n ASP 38 Ca 0.00 1.01 -0.14 0.00 0.71 0.00 0.00 54.79 56.37 2kk6 n ASP 38 Cb 0.00 -1.33 -0.13 0.00 -0.02 0.00 0.00 41.12 39.65 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 3.57 0.55 -0.01 1.24 -0.71 -1.26 -0.88 117.98 120.48 2kk6 s PHE 39 Ca 0.92 -0.33 -0.04 0.00 -1.04 0.00 0.00 56.93 56.44 2kk6 s PHE 39 Cb -0.77 -0.34 0.00 0.00 -1.21 0.00 0.00 43.02 40.70 2kk6 s PHE 39 CO 0.53 -0.06 0.09 -0.48 -1.34 0.00 0.00 175.22 173.96 2kk6 s LEU 40 N -0.97 1.70 -0.21 -1.99 2.34 -0.63 -3.36 118.68 115.56 2kk6 s LEU 40 Ca -0.05 -0.07 -0.07 0.00 0.06 0.00 0.00 54.13 53.99 2kk6 s LEU 40 Cb -0.07 0.43 -0.04 0.00 -0.56 0.00 0.00 46.19 45.95 2kk6 s LEU 40 CO 0.00 -0.21 0.07 -0.69 -1.06 0.00 0.00 176.35 174.46 2kk6 s VAL 41 N -0.75 4.60 0.35 1.48 1.01 -0.23 -0.63 120.40 126.23 2kk6 s VAL 41 Ca -0.08 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2kk6 s VAL 41 Cb -0.05 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 2kk6 s VAL 41 CO 0.00 0.40 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 2kk6 s ARG 42 N 0.91 1.80 -0.03 2.72 1.70 -0.47 -2.27 118.95 123.31 2kk6 s ARG 42 Ca 0.04 -1.97 -0.02 0.00 -0.47 0.00 0.00 55.73 53.31 2kk6 s ARG 42 Cb -0.14 -1.47 -0.04 0.00 -0.57 0.00 0.00 34.95 32.73 2kk6 s ARG 42 CO 0.03 0.01 0.10 -2.00 -1.08 0.00 0.00 175.30 172.36 2kk6 s GLU 43 N -3.70 3.18 0.09 3.89 2.12 0.57 0.40 118.70 125.25 2kk6 s GLU 43 Ca 0.33 -0.40 -0.31 0.00 0.36 0.00 0.00 54.97 54.96 2kk6 s GLU 43 Cb 0.06 -2.94 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 2kk6 s GLU 43 CO 0.16 0.67 1.84 0.45 -0.54 0.00 0.00 175.26 177.84 2kk6 s SER 44 N -1.62 6.46 -0.71 -1.70 0.15 0.82 -4.34 113.70 112.77 2kk6 s SER 44 Ca 0.22 2.68 -0.26 0.00 0.70 0.00 0.00 55.95 59.30 2kk6 s SER 44 Cb -0.12 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.56 2kk6 s SER 44 CO 0.13 -1.00 2.20 -2.28 1.20 0.00 0.00 173.24 173.49 2kk6 s HIS 45 N 3.21 1.37 0.00 3.44 2.46 -1.26 -0.74 115.29 123.77 2kk6 s HIS 45 Ca 0.82 1.35 0.00 0.00 0.47 0.00 0.00 55.06 57.69 2kk6 s HIS 45 Cb -0.44 -3.74 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 2kk6 s HIS 45 CO 0.37 -1.99 0.00 0.41 -2.47 0.00 0.00 174.74 171.06 2kk6 n GLY 46 N 6.41 1.88 2.92 1.59 0.00 -1.26 -5.05 105.19 111.67 2kk6 n GLY 46 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.13 2.23 -0.15 1.61 2.47 0.08 -5.08 119.74 120.77 2kk6 s LYS 47 Ca 0.00 -3.00 -0.29 0.00 -1.56 0.00 0.00 55.97 51.12 2kk6 s LYS 47 Cb 0.00 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.95 2kk6 s LYS 47 CO 0.00 -1.20 1.92 -2.14 0.16 0.00 0.00 175.35 174.09 2kk6 s PRO 48 N -0.90 3.66 0.00 4.03 0.02 -1.26 -2.56 135.00 137.98 2kk6 s PRO 48 Ca 0.21 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.28 2kk6 s PRO 48 Cb -0.15 -4.19 0.00 0.00 0.02 0.00 0.00 34.50 30.18 2kk6 s PRO 48 CO -0.09 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.50 2kk6 n GLY 49 N 5.02 1.42 3.38 0.52 0.00 -1.26 -5.08 105.19 109.19 2kk6 n GLY 49 Ca 0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.80 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 3.04 -0.19 1.61 2.12 -1.06 -4.92 118.70 119.30 2kk6 s GLU 50 Ca 0.00 -1.31 -0.17 0.00 0.36 0.00 0.00 54.97 53.85 2kk6 s GLU 50 Cb 0.00 -4.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.13 2kk6 s GLU 50 CO 0.00 -1.38 0.45 0.71 -0.54 0.00 0.00 175.26 174.50 2kk6 s TYR 51 N 2.36 3.39 -0.25 5.30 1.51 -1.26 -0.13 117.35 128.27 2kk6 s TYR 51 Ca 0.10 0.70 -0.07 0.00 -1.01 0.00 0.00 57.07 56.79 2kk6 s TYR 51 Cb -0.24 -2.58 -0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2kk6 s TYR 51 CO 0.07 -0.02 0.05 0.08 -1.11 0.00 0.00 175.55 174.62 2kk6 s VAL 52 N 1.35 4.13 -0.16 0.71 1.01 0.16 -0.57 120.40 127.03 2kk6 s VAL 52 Ca 0.22 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 2kk6 s VAL 52 Cb -0.15 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2kk6 s VAL 52 CO 0.09 0.33 0.70 -0.22 0.00 0.00 0.00 175.10 176.00 2kk6 s LEU 53 N 1.58 4.19 -0.35 3.92 2.96 0.15 -1.37 118.68 129.76 2kk6 s LEU 53 Ca 0.06 1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 2kk6 s LEU 53 Cb -0.15 -3.03 0.08 0.00 0.50 0.00 0.00 46.19 43.59 2kk6 s LEU 53 CO 0.02 -0.27 0.10 -0.44 -1.32 0.00 0.00 176.35 174.44 2kk6 s SER 54 N 1.08 5.04 -0.06 3.68 0.01 0.20 -0.55 113.70 123.09 2kk6 s SER 54 Ca 0.33 -1.73 0.05 0.00 1.31 0.00 0.00 55.95 55.91 2kk6 s SER 54 Cb -0.16 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 2kk6 s SER 54 CO 0.13 -0.40 -0.24 0.54 0.41 0.00 0.00 173.24 173.68 2kk6 s VAL 55 N 1.15 1.97 -0.37 3.43 0.11 -0.45 -1.61 120.40 124.64 2kk6 s VAL 55 Ca 0.03 -1.01 -0.24 0.00 -2.93 0.00 0.00 61.98 57.83 2kk6 s VAL 55 Cb -0.21 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 32.98 2kk6 s VAL 55 CO -0.03 0.55 0.85 -0.47 -3.33 0.00 0.00 175.10 172.67 2kk6 s TYR 56 N -0.02 3.09 -0.09 1.54 6.14 -0.06 0.16 117.35 128.12 2kk6 s TYR 56 Ca -0.07 0.66 -0.09 0.00 0.64 0.00 0.00 57.07 58.21 2kk6 s TYR 56 Cb -0.14 -3.53 0.02 0.00 0.42 0.00 0.00 41.96 38.73 2kk6 s TYR 56 CO 0.05 -0.78 0.24 0.45 0.64 0.00 0.00 175.55 176.15 2kk6 s SER 57 N 1.86 -0.24 -1.75 4.32 0.15 -0.20 -0.39 113.70 117.45 2kk6 s SER 57 Ca 0.35 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.45 2kk6 s SER 57 Cb -0.13 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2kk6 s SER 57 CO 0.18 -0.11 0.00 0.47 1.20 0.00 0.00 173.24 174.98 2kk6 n ASP 58 N 2.82 -5.24 0.00 5.45 8.00 -1.26 -1.54 116.55 124.78 2kk6 n ASP 58 Ca -0.13 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2kk6 n ASP 58 Cb 0.58 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 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 -0.88 1.69 3.68 0.44 0.00 -1.26 -5.04 105.19 103.83 2kk6 n GLY 59 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.36 2.45 -0.65 1.61 -0.21 -0.59 -5.07 119.66 116.84 2kk6 s GLN 60 Ca 0.00 -1.16 -0.26 0.00 0.02 0.00 0.00 55.36 53.96 2kk6 s GLN 60 Cb 0.00 -2.35 0.04 0.00 1.00 0.00 0.00 33.01 31.70 2kk6 s GLN 60 CO 0.00 0.43 1.14 1.03 -2.12 0.00 0.00 175.29 175.77 2kk6 s ARG 61 N -3.19 3.29 -0.51 2.91 3.00 -1.26 -1.04 118.95 122.15 2kk6 s ARG 61 Ca 0.29 -0.22 -0.26 0.00 0.00 0.00 0.00 55.73 55.54 2kk6 s ARG 61 Cb -0.09 -4.12 0.03 0.00 0.00 0.00 0.00 34.95 30.78 2kk6 s ARG 61 CO 0.20 -1.84 0.99 1.03 0.00 0.00 0.00 175.30 175.68 2kk6 s ARG 62 N 4.89 3.48 -0.30 3.54 1.81 0.12 -4.90 118.95 127.60 2kk6 s ARG 62 Ca 0.34 0.08 -0.10 0.00 -1.72 0.00 0.00 55.73 54.33 2kk6 s ARG 62 Cb -0.10 -3.98 -0.02 0.00 -0.45 0.00 0.00 34.95 30.40 2kk6 s ARG 62 CO 0.18 -1.39 0.16 -1.01 -0.68 0.00 0.00 175.30 172.55 2kk6 s HIS 63 N 4.06 3.17 0.18 -0.53 3.76 -1.26 -1.34 115.29 123.34 2kk6 s HIS 63 Ca 0.37 -0.35 0.09 0.00 -0.15 0.00 0.00 55.06 55.02 2kk6 s HIS 63 Cb -0.10 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 2kk6 s HIS 63 CO 0.25 -0.36 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.62 2kk6 s PHE 64 N 1.66 2.64 -0.09 1.40 0.08 0.28 -4.95 117.98 119.01 2kk6 s PHE 64 Ca 0.06 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.90 2kk6 s PHE 64 Cb -0.16 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2kk6 s PHE 64 CO 0.07 0.51 -0.11 0.42 -0.10 0.00 0.00 175.22 176.01 2kk6 s ILE 65 N -1.70 3.26 -0.44 0.64 1.01 -1.26 0.32 121.20 123.04 2kk6 s ILE 65 Ca 0.25 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.02 2kk6 s ILE 65 Cb -0.09 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2kk6 s ILE 65 CO 0.15 0.57 0.91 -0.63 0.00 0.00 0.00 174.94 175.94 2kk6 s ILE 66 N -0.35 4.52 0.00 2.92 1.01 0.26 -4.68 121.20 124.88 2kk6 s ILE 66 Ca 0.04 0.83 -0.22 0.00 0.00 0.00 0.00 60.65 61.29 2kk6 s ILE 66 Cb -0.13 -4.40 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 2kk6 s ILE 66 CO 0.02 -0.75 0.66 -1.10 0.00 0.00 0.00 174.94 173.78 2kk6 s GLN 67 N 3.64 4.39 -0.60 2.79 1.11 -0.03 -4.36 119.66 126.59 2kk6 s GLN 67 Ca 0.37 0.85 -0.15 0.00 0.01 0.00 0.00 55.36 56.44 2kk6 s GLN 67 Cb -0.11 -3.36 0.15 0.00 -1.01 0.00 0.00 33.01 28.68 2kk6 s GLN 67 CO 0.24 0.30 0.55 -0.47 0.01 0.00 0.00 175.29 175.92 2kk6 s TYR 68 N 0.00 3.39 0.03 0.91 5.04 -1.26 -0.83 117.35 124.63 2kk6 s TYR 68 Ca 0.34 -1.53 0.04 0.00 -2.44 0.00 0.00 57.07 53.48 2kk6 s TYR 68 Cb -0.19 -3.77 -0.02 0.00 0.35 0.00 0.00 41.96 38.33 2kk6 s TYR 68 CO 0.19 -1.01 -0.12 0.08 -1.34 0.00 0.00 175.55 173.35 2kk6 s VAL 69 N 1.21 0.95 -2.10 3.14 1.01 -0.22 -4.73 120.40 119.66 2kk6 s VAL 69 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.19 2kk6 s VAL 69 Cb -0.25 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2kk6 s VAL 69 CO -0.00 0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.57 2kk6 n ASP 70 N 2.07 -5.45 -1.62 3.32 8.00 -1.26 -0.81 116.55 120.81 2kk6 n ASP 70 Ca -0.17 0.45 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 2kk6 n ASP 70 Cb 0.55 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.96 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 -1.30 -4.13 -3.96 -2.24 3.02 -1.26 -5.04 115.26 100.35 2kk6 n ASN 71 Ca -0.20 -0.07 -0.14 0.00 -0.03 0.00 0.00 54.58 54.14 2kk6 n ASN 71 Cb 0.66 -3.21 -0.14 0.00 -0.61 0.00 0.00 39.78 36.48 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 -4.84 0.34 0.03 3.52 -1.94 0.01 -4.65 119.30 111.77 2kk6 s MET 72 Ca 0.06 -0.27 -0.27 0.00 -1.71 0.00 0.00 55.69 53.50 2kk6 s MET 72 Cb -0.03 -0.26 -0.05 0.00 2.01 0.00 0.00 34.83 36.51 2kk6 s MET 72 CO 0.08 0.06 0.84 0.71 -0.01 0.00 0.00 175.02 176.70 2kk6 s TYR 73 N -0.41 3.71 0.04 -0.03 2.02 0.13 -1.06 117.35 121.75 2kk6 s TYR 73 Ca -0.02 1.55 -0.11 0.00 -0.37 0.00 0.00 57.07 58.12 2kk6 s TYR 73 Cb -0.03 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 2kk6 s TYR 73 CO -0.00 0.17 0.22 -0.98 -1.57 0.00 0.00 175.55 173.39 2kk6 s ARG 74 N 0.33 0.72 -0.15 -0.62 1.70 -0.01 -0.73 118.95 120.19 2kk6 s ARG 74 Ca 0.43 -0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 54.99 2kk6 s ARG 74 Cb -0.21 0.30 -0.07 0.00 -0.57 0.00 0.00 34.95 34.41 2kk6 s ARG 74 CO 0.25 -0.22 -0.25 1.19 -1.08 0.00 0.00 175.30 175.19 2kk6 n PHE 75 N 0.66 0.00 -3.72 5.89 3.72 -1.26 -0.85 117.46 121.89 2kk6 n PHE 75 Ca -0.19 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.93 2kk6 n PHE 75 Cb 0.59 -0.56 -0.12 0.00 -0.94 0.00 0.00 39.48 38.45 2kk6 n PHE 75 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2kk6 s GLU 76 N -2.46 1.73 0.30 -1.08 2.56 -1.25 -4.90 118.70 113.60 2kk6 s GLU 76 Ca -0.24 -2.64 0.00 0.00 0.00 0.00 0.00 54.97 52.09 2kk6 s GLU 76 Cb 0.07 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 33.58 2kk6 s GLU 76 CO 0.32 -1.27 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 2kk6 n GLY 77 N 2.67 1.48 3.70 -1.50 0.00 -1.26 -4.86 105.19 105.42 2kk6 n GLY 77 Ca 0.18 0.35 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 2kk6 n GLY 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kk6 n THR 78 N 0.00 0.26 -4.26 2.61 -1.04 -1.26 -4.87 114.28 105.72 2kk6 n THR 78 Ca 0.00 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.05 61.82 2kk6 n THR 78 Cb 0.00 -2.05 -0.10 0.00 -1.82 0.00 0.00 70.33 66.36 2kk6 n THR 78 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kk6 s GLY 79 N 2.27 1.32 0.21 3.41 0.00 -1.26 -4.33 107.32 108.94 2kk6 s GLY 79 Ca 0.80 -1.64 0.11 0.00 0.00 0.00 0.00 44.72 43.99 2kk6 s GLY 79 CO 0.37 -1.55 -0.21 -1.36 0.00 0.00 0.00 173.10 170.34 2kk6 s PHE 80 N -3.64 2.34 0.42 1.90 0.40 0.09 -4.83 117.98 114.65 2kk6 s PHE 80 Ca 0.26 -0.34 0.11 0.00 -0.60 0.00 0.00 56.93 56.37 2kk6 s PHE 80 Cb 0.06 -1.13 0.88 0.00 0.51 0.00 0.00 43.02 43.35 2kk6 s PHE 80 CO 0.06 0.55 1.97 1.03 0.70 0.00 0.00 175.22 179.52 2kk6 h SER 81 N 2.96 0.17 -4.31 1.36 0.87 -1.86 0.37 113.55 113.10 2kk6 h SER 81 Ca -0.45 -0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 2kk6 h SER 81 Cb 1.22 -0.04 -0.29 0.00 -0.44 0.00 0.00 62.40 62.84 2kk6 h SER 81 CO 0.51 0.30 -0.83 0.20 -0.53 0.00 0.00 176.83 176.48 2kk6 s ASN 82 N -6.91 2.03 0.09 6.23 0.01 -1.26 -4.60 114.94 110.54 2kk6 s ASN 82 Ca -0.05 -0.31 -0.21 0.00 -0.71 0.00 0.00 52.86 51.57 2kk6 s ASN 82 Cb 0.16 -0.23 -0.11 0.00 0.41 0.00 0.00 41.25 41.49 2kk6 s ASN 82 CO 0.72 0.21 1.68 0.40 -1.51 0.00 0.00 177.10 178.60 2kk6 h ILE 83 N 4.71 1.10 -0.92 0.60 2.04 -1.95 0.26 117.51 123.34 2kk6 h ILE 83 Ca -0.37 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.32 2kk6 h ILE 83 Cb 1.15 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2kk6 h ILE 83 CO 0.48 0.09 0.59 1.55 0.00 0.00 0.00 178.15 180.86 2kk6 h PRO 84 N 0.11 0.88 -0.06 2.37 0.13 -1.95 -0.24 132.00 133.25 2kk6 h PRO 84 Ca 0.05 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.91 2kk6 h PRO 84 Cb 0.08 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.02 2kk6 h PRO 84 CO -0.01 0.58 -0.83 1.96 -0.23 0.00 0.00 178.00 179.47 2kk6 h GLN 85 N 0.91 0.49 0.50 0.86 1.08 -1.88 -2.05 115.11 115.02 2kk6 h GLN 85 Ca 0.43 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2kk6 h GLN 85 Cb 0.44 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2kk6 h GLN 85 CO -0.20 1.09 -0.39 1.25 -0.95 0.00 0.00 178.83 179.63 2kk6 h LEU 86 N 0.31 -1.04 -0.23 1.46 5.85 0.66 -1.44 115.31 120.88 2kk6 h LEU 86 Ca -0.06 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2kk6 h LEU 86 Cb 1.44 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 2kk6 h LEU 86 CO 0.15 -0.57 -0.03 0.40 -0.34 0.00 0.00 178.44 178.04 2kk6 h ILE 87 N -0.88 1.27 0.17 4.05 1.08 -1.19 -1.08 117.51 120.94 2kk6 h ILE 87 Ca -0.05 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.43 2kk6 h ILE 87 Cb 0.75 1.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 2kk6 h ILE 87 CO -0.00 0.31 -0.18 -0.78 -0.69 0.00 0.00 178.15 176.80 2kk6 h ASP 88 N 0.19 -0.49 -0.35 1.72 1.82 -1.39 0.30 116.42 118.22 2kk6 h ASP 88 Ca 0.06 0.05 -0.11 0.00 -0.39 0.00 0.00 57.03 56.64 2kk6 h ASP 88 Cb 0.47 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.64 2kk6 h ASP 88 CO 0.02 -0.27 -0.19 -0.74 -1.61 0.00 0.00 179.24 176.45 2kk6 h HIS 89 N -0.39 0.93 -0.27 0.28 2.76 -1.32 -1.48 115.15 115.66 2kk6 h HIS 89 Ca 0.01 -0.20 -0.08 0.00 -2.20 0.00 0.00 60.37 57.89 2kk6 h HIS 89 Cb 0.38 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2kk6 h HIS 89 CO -0.15 0.94 -0.17 1.25 -1.30 0.00 0.00 177.93 178.50 2kk6 h HIS 90 N 0.73 0.53 0.13 5.26 -0.00 -0.91 -1.69 115.15 119.19 2kk6 h HIS 90 Ca 0.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2kk6 h HIS 90 Cb 0.71 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2kk6 h HIS 90 CO 0.04 0.64 -0.06 -0.92 -0.00 0.00 0.00 177.93 177.62 2kk6 h TYR 91 N 0.44 -0.16 0.00 5.26 3.20 -0.19 -2.39 116.97 123.13 2kk6 h TYR 91 Ca 0.08 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2kk6 h TYR 91 Cb 0.56 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2kk6 h TYR 91 CO 0.02 0.27 -0.16 1.79 -1.64 0.00 0.00 178.16 178.44 2kk6 h THR 92 N -0.67 0.64 -0.00 1.81 1.35 -1.23 -1.21 112.91 113.60 2kk6 h THR 92 Ca -0.02 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2kk6 h THR 92 Cb 0.51 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2kk6 h THR 92 CO 0.03 0.15 -0.40 0.35 -0.25 0.00 0.00 175.52 175.40 2kk6 n THR 93 N -3.67 0.00 -2.57 6.82 -2.24 -0.64 -4.96 114.28 107.02 2kk6 n THR 93 Ca -0.02 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 2kk6 n THR 93 Cb 0.28 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.29 -2.54 -2.76 -0.78 3.00 -0.46 -4.97 118.16 108.37 2kk6 n LYS 94 Ca 0.07 0.96 -0.36 0.00 -0.00 0.00 0.00 58.31 58.98 2kk6 n LYS 94 Cb 0.34 -5.67 -0.06 0.00 0.00 0.00 0.00 35.03 29.63 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 -5.22 4.44 0.35 1.64 -0.44 -0.94 -4.84 119.66 114.65 2kk6 s GLN 95 Ca 0.08 1.30 -0.26 0.00 -2.50 0.00 0.00 55.36 53.98 2kk6 s GLN 95 Cb -0.04 -2.62 -0.09 0.00 -1.64 0.00 0.00 33.01 28.63 2kk6 s GLN 95 CO 0.10 0.15 1.10 0.14 0.50 0.00 0.00 175.29 177.28 2kk6 s VAL 96 N -1.76 3.47 0.00 1.34 -7.23 -1.26 -4.41 120.40 110.55 2kk6 s VAL 96 Ca 0.54 1.29 0.00 0.00 -1.81 0.00 0.00 61.98 62.00 2kk6 s VAL 96 Cb -0.17 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.03 2kk6 s VAL 96 CO 0.22 0.16 0.99 -0.38 -0.31 0.00 0.00 175.10 175.77 2kk6 n ILE 97 N 0.44 0.00 -5.04 -0.62 2.08 0.34 -4.73 119.36 111.83 2kk6 n ILE 97 Ca 0.02 1.49 -0.29 0.00 0.56 0.00 0.00 62.75 64.53 2kk6 n ILE 97 Cb 0.47 -2.41 -0.16 0.00 -0.75 0.00 0.00 39.64 36.78 2kk6 n ILE 97 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2kk6 s THR 98 N -2.95 1.73 0.01 1.39 -4.23 -1.26 -3.89 115.64 106.44 2kk6 s THR 98 Ca 0.00 -0.88 0.32 0.00 -1.18 0.00 0.00 61.69 59.95 2kk6 s THR 98 Cb 0.00 -1.48 0.35 0.00 1.34 0.00 0.00 72.50 72.71 2kk6 s THR 98 CO 0.00 0.49 1.95 0.11 -0.54 0.00 0.00 174.62 176.63 2kk6 h LYS 99 N 6.22 0.00 -0.37 3.99 6.56 -1.94 0.14 116.57 131.17 2kk6 h LYS 99 Ca -0.31 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.19 2kk6 h LYS 99 Cb 1.18 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.82 2kk6 h LYS 99 CO 0.47 0.00 -0.14 0.87 -2.06 0.00 0.00 179.45 178.60 2kk6 h LYS 100 N 0.00 0.67 0.00 3.15 1.57 -2.00 -3.36 116.57 116.60 2kk6 h LYS 100 Ca 0.00 -0.22 -0.38 0.00 -1.87 0.00 0.00 60.65 58.18 2kk6 h LYS 100 Cb 0.34 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 2kk6 h LYS 100 CO 0.00 0.78 -2.40 0.45 -0.57 0.00 0.00 179.45 177.71 2kk6 n SER 101 N -4.16 2.07 -0.99 0.86 2.88 -0.64 -5.05 113.62 108.58 2kk6 n SER 101 Ca 0.01 -0.07 -0.02 0.00 -1.33 0.00 0.00 58.87 57.47 2kk6 n SER 101 Cb 0.36 -0.44 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 2.20 0.59 3.63 0.46 0.00 0.41 -5.05 105.19 107.44 2kk6 n GLY 102 Ca -0.44 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2kk6 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kk6 s VAL 103 N -3.03 4.36 0.21 1.61 1.01 -1.26 -4.98 120.40 118.33 2kk6 s VAL 103 Ca 0.02 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.87 2kk6 s VAL 103 Cb -0.01 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2kk6 s VAL 103 CO 0.06 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.06 2kk6 s VAL 104 N -0.27 3.86 -0.27 2.92 1.01 -1.26 -0.51 120.40 125.88 2kk6 s VAL 104 Ca 0.06 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.38 2kk6 s VAL 104 Cb -0.12 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2kk6 s VAL 104 CO 0.02 -0.22 0.37 -0.76 0.00 0.00 0.00 175.10 174.51 2kk6 s LEU 105 N -3.32 4.06 0.05 3.92 1.43 -1.26 -4.80 118.68 118.75 2kk6 s LEU 105 Ca 0.30 0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2kk6 s LEU 105 Cb -0.08 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 2kk6 s LEU 105 CO 0.21 -0.19 0.04 -1.48 0.23 0.00 0.00 176.35 175.16 2kk6 s LEU 106 N 2.07 2.07 -0.03 1.79 2.34 -1.25 -4.87 118.68 120.80 2kk6 s LEU 106 Ca 0.15 -0.72 -0.03 0.00 0.06 0.00 0.00 54.13 53.59 2kk6 s LEU 106 Cb -0.16 0.44 0.00 0.00 -0.56 0.00 0.00 46.19 45.91 2kk6 s LEU 106 CO 0.10 -0.54 0.05 -0.46 -1.06 0.00 0.00 176.35 174.44 2kk6 n ASN 107 N 0.53 -3.34 -4.77 1.48 2.04 -1.26 -4.08 115.26 105.86 2kk6 n ASN 107 Ca -0.17 0.17 -0.40 0.00 -0.44 0.00 0.00 54.58 53.73 2kk6 n ASN 107 Cb 0.59 -0.82 -0.03 0.00 -2.53 0.00 0.00 39.78 37.00 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 -0.63 4.40 -0.34 -0.53 0.04 -1.26 -4.30 135.00 132.38 2kk6 s PRO 108 Ca 0.03 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 2kk6 s PRO 108 Cb -0.00 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 2kk6 s PRO 108 CO 0.07 -0.06 0.54 0.42 0.04 0.00 0.00 177.00 178.00 2kk6 s ILE 109 N -1.21 5.00 1.15 0.56 -1.09 -1.21 -4.96 121.20 119.43 2kk6 s ILE 109 Ca 0.49 0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 59.24 2kk6 s ILE 109 Cb -0.35 -3.97 0.27 0.00 -1.58 0.00 0.00 42.46 36.84 2kk6 s ILE 109 CO 0.45 -0.19 1.04 -2.84 -1.23 0.00 0.00 174.94 172.17 2kk6 s PRO 110 N 2.45 -0.83 0.29 2.79 0.02 -1.26 -4.07 135.00 134.38 2kk6 s PRO 110 Ca 0.20 0.57 0.10 0.00 0.02 0.00 0.00 61.00 61.90 2kk6 s PRO 110 Cb -0.15 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.73 2kk6 s PRO 110 CO 0.13 -3.59 -0.07 -1.59 -0.33 0.00 0.00 177.00 171.55 2kk6 s LYS 111 N -4.74 2.02 0.35 5.54 -2.85 -1.10 -4.90 119.74 114.07 2kk6 s LYS 111 Ca 0.68 -1.62 -0.03 0.00 -1.00 0.00 0.00 55.97 54.00 2kk6 s LYS 111 Cb -0.21 -1.97 -0.04 0.00 -2.06 0.00 0.00 37.83 33.55 2kk6 s LYS 111 CO 0.61 0.30 0.60 0.34 0.10 0.00 0.00 175.35 177.31 2kk6 s ASP 112 N -3.62 6.35 -1.38 0.03 2.15 -1.26 -5.00 116.67 113.94 2kk6 s ASP 112 Ca 0.32 0.66 -0.07 0.00 0.43 0.00 0.00 52.55 53.88 2kk6 s ASP 112 Cb -0.05 -2.12 0.09 0.00 -0.30 0.00 0.00 42.92 40.54 2kk6 s ASP 112 CO 0.18 -0.31 2.40 2.29 -0.17 0.00 0.00 175.17 179.55 2kk6 n LYS 113 N -1.54 4.22 -2.07 4.34 0.00 -1.26 -4.92 118.16 116.93 2kk6 n LYS 113 Ca -0.02 -3.22 -0.27 0.00 -0.00 0.00 0.00 58.31 54.79 2kk6 n LYS 113 Cb 0.55 -2.73 -0.05 0.00 -0.00 0.00 0.00 35.03 32.79 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kk6 s LYS 114 N -0.16 2.57 0.47 -1.58 2.47 -1.26 -4.73 119.74 117.52 2kk6 s LYS 114 Ca 0.54 -0.58 0.27 0.00 -1.56 0.00 0.00 55.97 54.64 2kk6 s LYS 114 Cb 0.17 -5.13 0.99 0.00 -1.46 0.00 0.00 37.83 32.41 2kk6 s LYS 114 CO -0.07 -3.53 1.85 0.11 0.16 0.00 0.00 175.35 173.87 2kk6 h TRP 115 N 10.77 0.00 0.00 4.03 5.08 -2.07 -3.56 115.95 130.21 2kk6 h TRP 115 Ca 0.14 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.11 2kk6 h TRP 115 Cb 0.98 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 2kk6 h TRP 115 CO 1.22 0.14 0.00 -0.89 -1.28 0.00 0.00 178.44 177.63