#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 0.70 0.67 3.17 0.00 -1.26 -5.14 107.32 105.46 2kk6 s GLY 2 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 44.72 44.20 2kk6 s GLY 2 CO 0.00 0.12 1.22 -2.39 0.00 0.00 0.00 173.10 172.05 2kk6 n HIS 3 N 3.74 1.62 -2.12 1.90 -0.00 -1.26 -4.88 115.22 114.22 2kk6 n HIS 3 Ca -0.23 0.42 -0.43 0.00 -0.00 0.00 0.00 57.72 57.49 2kk6 n HIS 3 Cb 0.52 -2.22 -0.03 0.00 -0.00 0.00 0.00 29.99 28.26 2kk6 n HIS 3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 4 N -1.51 2.09 -0.14 -1.40 5.65 -1.26 -4.96 115.29 113.77 2kk6 s HIS 4 Ca 0.80 0.57 -0.30 0.00 0.25 0.00 0.00 55.06 56.38 2kk6 s HIS 4 Cb -0.37 -4.02 0.12 0.00 -1.18 0.00 0.00 32.58 27.12 2kk6 s HIS 4 CO 0.43 -2.85 0.95 -1.58 -0.65 0.00 0.00 174.74 171.04 2kk6 s HIS 5 N 5.44 -0.41 0.25 3.88 5.65 -1.26 -5.20 115.29 123.65 2kk6 s HIS 5 Ca 0.72 0.68 -0.03 0.00 0.25 0.00 0.00 55.06 56.67 2kk6 s HIS 5 Cb -0.24 0.45 -0.02 0.00 -1.18 0.00 0.00 32.58 31.59 2kk6 s HIS 5 CO 0.30 -0.39 0.30 -3.38 -0.65 0.00 0.00 174.74 170.92 2kk6 s HIS 6 N -1.23 1.01 -0.01 3.88 0.00 -1.26 -5.18 115.29 112.50 2kk6 s HIS 6 Ca -0.03 -1.23 0.08 0.00 -3.00 0.00 0.00 55.06 50.88 2kk6 s HIS 6 Cb -0.00 -0.30 -0.02 0.00 -4.00 0.00 0.00 32.58 28.25 2kk6 s HIS 6 CO 0.02 -0.85 -0.25 -3.38 -1.00 0.00 0.00 174.74 169.28 2kk6 s HIS 7 N -3.84 2.24 0.18 0.38 -0.00 -1.26 -5.05 115.29 107.94 2kk6 s HIS 7 Ca 0.33 -0.42 -0.09 0.00 -0.00 0.00 0.00 55.06 54.88 2kk6 s HIS 7 Cb 0.03 -1.43 0.07 0.00 -0.00 0.00 0.00 32.58 31.26 2kk6 s HIS 7 CO 0.15 -0.01 1.66 1.25 -0.00 0.00 0.00 174.74 177.79 2kk6 h HIS 8 N 5.38 1.15 -5.21 0.38 6.17 -2.08 -3.47 115.15 117.48 2kk6 h HIS 8 Ca -0.43 -0.18 -0.41 0.00 0.71 0.00 0.00 60.37 60.06 2kk6 h HIS 8 Cb 1.13 -0.31 0.06 0.00 2.52 0.00 0.00 27.41 30.81 2kk6 h HIS 8 CO 0.41 0.99 -0.64 0.43 0.71 0.00 0.00 177.93 179.83 2kk6 n SER 9 N -4.22 -5.80 -4.04 3.26 7.64 -1.26 -4.99 113.62 104.20 2kk6 n SER 9 Ca 0.03 -0.43 -0.21 0.00 1.01 0.00 0.00 58.87 59.27 2kk6 n SER 9 Cb 0.32 -4.65 -0.15 0.00 -1.01 0.00 0.00 64.21 58.72 2kk6 n SER 9 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kk6 s HIS 10 N -3.21 1.05 0.40 1.43 5.65 -1.26 -5.15 115.29 114.20 2kk6 s HIS 10 Ca 0.44 -0.23 -0.09 0.00 0.25 0.00 0.00 55.06 55.43 2kk6 s HIS 10 Cb -0.20 -0.71 -0.06 0.00 -1.18 0.00 0.00 32.58 30.43 2kk6 s HIS 10 CO 0.55 -0.06 0.74 -1.64 -0.65 0.00 0.00 174.74 173.68 2kk6 s MET 11 N -0.06 3.73 0.08 2.88 1.00 -1.26 -5.11 119.30 120.56 2kk6 s MET 11 Ca 0.01 0.37 0.02 0.00 0.00 0.00 0.00 55.69 56.09 2kk6 s MET 11 Cb -0.07 -2.42 -0.03 0.00 0.00 0.00 0.00 34.83 32.30 2kk6 s MET 11 CO 0.00 -0.02 -0.08 0.15 0.00 0.00 0.00 175.02 175.07 2kk6 s LYS 12 N -3.91 0.74 1.08 2.03 1.02 -1.26 -5.16 119.74 114.28 2kk6 s LYS 12 Ca 0.50 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.27 2kk6 s LYS 12 Cb -0.10 -0.32 0.24 0.00 -0.52 0.00 0.00 37.83 37.12 2kk6 s LYS 12 CO 0.33 0.03 1.07 -1.25 -0.92 0.00 0.00 175.35 174.61 2kk6 s PRO 13 N -2.81 -0.32 0.23 -1.68 0.04 -1.26 -4.79 135.00 124.41 2kk6 s PRO 13 Ca 0.03 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 2kk6 s PRO 13 Cb -0.02 -1.60 0.25 0.00 0.04 0.00 0.00 34.50 33.17 2kk6 s PRO 13 CO -0.02 -3.41 1.89 1.25 0.04 0.00 0.00 177.00 176.76 2kk6 h LEU 14 N -2.41 0.97 -1.18 -3.56 5.85 -2.00 -1.04 115.31 111.93 2kk6 h LEU 14 Ca -0.55 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2kk6 h LEU 14 Cb 1.31 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2kk6 h LEU 14 CO 0.46 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 179.24 2kk6 n ALA 15 N -2.35 1.31 0.06 1.25 0.00 -1.26 -1.35 120.51 118.18 2kk6 n ALA 15 Ca 0.11 0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.78 2kk6 n ALA 15 Cb 0.07 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.29 0.62 -1.76 0.00 -0.58 -0.42 -4.93 120.64 111.28 2kk6 n GLU 16 Ca -0.00 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 2kk6 n GLU 16 Cb 0.12 -1.77 -0.03 0.00 -0.57 0.00 0.00 31.44 29.19 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 -3.22 4.15 0.38 3.49 -1.52 -0.45 -4.89 119.66 117.59 2kk6 s GLN 17 Ca -0.03 2.56 0.21 0.00 -1.95 0.00 0.00 55.36 56.15 2kk6 s GLN 17 Cb 0.10 -3.38 0.55 0.00 -0.22 0.00 0.00 33.01 30.05 2kk6 s GLN 17 CO 0.81 -0.78 1.66 -0.44 -0.25 0.00 0.00 175.29 176.29 2kk6 h ASP 18 N 7.82 0.00 0.21 5.90 3.32 -1.91 -2.53 116.42 129.23 2kk6 h ASP 18 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2kk6 h ASP 18 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2kk6 h ASP 18 CO 0.95 0.30 -0.02 -2.67 -1.72 0.00 0.00 179.24 176.08 2kk6 n TRP 19 N -3.30 0.00 -3.26 4.55 4.27 -1.25 -1.33 117.44 117.12 2kk6 n TRP 19 Ca 0.01 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.23 2kk6 n TRP 19 Cb 0.55 -0.10 -0.07 0.00 -1.36 0.00 0.00 31.31 30.33 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 -2.23 3.35 -0.61 -2.67 5.04 -0.95 -0.94 117.35 118.33 2kk6 s TYR 20 Ca 0.39 0.74 0.05 0.00 -2.44 0.00 0.00 57.07 55.81 2kk6 s TYR 20 Cb 0.21 -2.67 0.29 0.00 0.35 0.00 0.00 41.96 40.15 2kk6 s TYR 20 CO 0.41 -0.12 0.86 0.72 -1.34 0.00 0.00 175.55 176.07 2kk6 n HIS 21 N 4.89 3.86 -0.21 4.97 8.25 -0.50 -4.78 115.22 131.70 2kk6 n HIS 21 Ca -0.05 -4.07 0.00 0.00 -0.26 0.00 0.00 57.72 53.34 2kk6 n HIS 21 Cb 0.50 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 0.30 3.18 2.06 -1.41 0.00 -1.26 -3.32 105.19 104.74 2kk6 n GLY 22 Ca 0.31 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 10.02 3.77 -1.68 4.61 0.00 -1.26 -0.65 120.51 135.31 2kk6 n ALA 23 Ca 0.00 -3.24 -0.37 0.00 0.00 0.00 0.00 53.44 49.83 2kk6 n ALA 23 Cb 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.61 4.32 -1.21 0.00 -5.35 -1.21 -4.60 119.36 110.70 2kk6 n ILE 24 Ca 0.25 -0.50 -0.29 0.00 -0.27 0.00 0.00 62.75 61.93 2kk6 n ILE 24 Cb 0.89 -1.34 0.15 0.00 -1.74 0.00 0.00 39.64 37.61 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 -3.06 0.91 0.31 6.28 0.04 -1.26 -4.80 135.00 133.41 2kk6 s PRO 25 Ca 0.79 0.66 0.07 0.00 0.04 0.00 0.00 61.00 62.56 2kk6 s PRO 25 Cb -0.40 -1.78 0.78 0.00 0.04 0.00 0.00 34.50 33.14 2kk6 s PRO 25 CO 0.44 -2.44 1.75 -0.09 0.04 0.00 0.00 177.00 176.70 2kk6 h ARG 26 N -1.69 0.65 0.71 4.56 2.43 -1.99 -2.64 114.38 116.41 2kk6 h ARG 26 Ca -0.52 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.58 2kk6 h ARG 26 Cb 1.31 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2kk6 h ARG 26 CO 0.56 0.43 -0.44 0.82 -1.51 0.00 0.00 179.97 179.84 2kk6 h ILE 27 N 0.67 0.12 -0.07 1.20 2.04 -1.99 -1.20 117.51 118.28 2kk6 h ILE 27 Ca 0.60 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.45 2kk6 h ILE 27 Cb 1.02 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2kk6 h ILE 27 CO -0.42 0.00 0.00 -0.33 0.00 0.00 0.00 178.15 177.40 2kk6 h GLU 28 N -1.08 0.10 -0.13 2.37 4.39 -1.85 0.11 114.58 118.49 2kk6 h GLU 28 Ca -0.09 -0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 2kk6 h GLU 28 Cb 0.87 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2kk6 h GLU 28 CO 0.09 0.11 -0.46 0.00 -1.16 0.00 0.00 179.01 177.59 2kk6 h ALA 29 N 1.91 0.98 0.02 3.43 0.00 -1.18 -3.18 119.26 121.23 2kk6 h ALA 29 Ca 0.03 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 54.20 2kk6 h ALA 29 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2kk6 h ALA 29 CO 0.00 0.64 -1.55 -0.56 0.00 0.00 0.00 179.25 177.78 2kk6 h GLN 30 N 0.26 0.03 -0.57 0.00 3.07 0.05 -3.39 115.11 114.56 2kk6 h GLN 30 Ca 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 2kk6 h GLN 30 Cb 0.92 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.48 2kk6 h GLN 30 CO 0.08 0.69 0.06 0.93 0.09 0.00 0.00 178.83 180.68 2kk6 h GLU 31 N 0.01 0.97 0.00 0.06 4.39 -0.87 -2.91 114.58 116.23 2kk6 h GLU 31 Ca -0.23 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 2kk6 h GLU 31 Cb 1.96 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.50 2kk6 h GLU 31 CO 0.10 0.94 -0.22 1.37 -1.16 0.00 0.00 179.01 180.04 2kk6 h LEU 32 N 0.86 0.00 -9.74 1.33 8.10 -1.75 -3.44 115.31 110.68 2kk6 h LEU 32 Ca 0.17 0.00 -0.52 0.00 0.11 0.00 0.00 57.88 57.63 2kk6 h LEU 32 Cb 0.46 0.00 0.05 0.00 -0.44 0.00 0.00 40.66 40.73 2kk6 h LEU 32 CO 0.02 0.22 0.71 -0.76 -4.11 0.00 0.00 178.44 174.52 2kk6 s LEU 33 N -7.01 4.40 0.00 0.17 1.43 -1.10 -4.89 118.68 111.69 2kk6 s LEU 33 Ca -0.01 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 2kk6 s LEU 33 Cb 0.11 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2kk6 s LEU 33 CO 0.63 -0.62 0.00 2.29 0.23 0.00 0.00 176.35 178.88 2kk6 n LYS 34 N 2.28 0.00 -4.35 1.70 2.85 -1.26 -5.05 118.16 114.33 2kk6 n LYS 34 Ca 0.06 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.06 2kk6 n LYS 34 Cb 0.41 -0.36 -0.10 0.00 -0.65 0.00 0.00 35.03 34.34 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 -1.00 1.91 -0.03 -1.58 -2.85 -1.26 -4.99 119.74 109.93 2kk6 s LYS 35 Ca 0.00 -1.45 -0.29 0.00 -1.00 0.00 0.00 55.97 53.23 2kk6 s LYS 35 Cb 0.00 -2.02 -0.08 0.00 -2.06 0.00 0.00 37.83 33.68 2kk6 s LYS 35 CO 0.00 0.39 2.02 -1.14 0.10 0.00 0.00 175.35 176.72 2kk6 s GLN 36 N -3.07 3.88 0.00 1.78 0.74 -1.26 -2.77 119.66 118.97 2kk6 s GLN 36 Ca 0.26 2.44 0.00 0.00 0.05 0.00 0.00 55.36 58.11 2kk6 s GLN 36 Cb -0.07 -4.21 0.00 0.00 1.10 0.00 0.00 33.01 29.83 2kk6 s GLN 36 CO 0.15 -1.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.05 2kk6 n GLY 37 N 4.84 3.89 3.68 2.59 0.00 0.82 -4.96 105.19 116.06 2kk6 n GLY 37 Ca 0.22 -0.97 -0.55 0.00 0.00 0.00 0.00 46.02 44.72 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 2.38 -4.00 1.61 8.00 -1.11 -3.90 116.55 119.52 2kk6 n ASP 38 Ca 0.00 1.07 -0.12 0.00 0.71 0.00 0.00 54.79 56.46 2kk6 n ASP 38 Cb 0.00 -1.18 -0.12 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 2.96 0.43 0.02 1.24 -0.71 -1.20 -0.55 117.98 120.18 2kk6 s PHE 39 Ca 0.95 -0.43 -0.11 0.00 -1.04 0.00 0.00 56.93 56.30 2kk6 s PHE 39 Cb -1.00 -0.27 0.01 0.00 -1.21 0.00 0.00 43.02 40.55 2kk6 s PHE 39 CO 0.60 -0.11 0.22 -0.48 -1.34 0.00 0.00 175.22 174.11 2kk6 s LEU 40 N -1.27 1.24 -0.17 -1.99 2.34 -0.56 -3.24 118.68 115.02 2kk6 s LEU 40 Ca -0.11 -0.23 -0.05 0.00 0.06 0.00 0.00 54.13 53.80 2kk6 s LEU 40 Cb -0.08 1.02 -0.03 0.00 -0.56 0.00 0.00 46.19 46.53 2kk6 s LEU 40 CO -0.00 -0.51 0.00 -0.69 -1.06 0.00 0.00 176.35 174.08 2kk6 s VAL 41 N -2.14 4.18 0.08 1.48 1.01 -0.12 -0.82 120.40 124.07 2kk6 s VAL 41 Ca -0.08 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2kk6 s VAL 41 Cb -0.03 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2kk6 s VAL 41 CO -0.01 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.31 2kk6 s ARG 42 N 0.50 1.49 0.21 2.72 1.70 -0.68 -1.41 118.95 123.48 2kk6 s ARG 42 Ca -0.01 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 53.79 2kk6 s ARG 42 Cb -0.14 -1.79 -0.09 0.00 -0.57 0.00 0.00 34.95 32.37 2kk6 s ARG 42 CO 0.02 0.44 0.89 -2.00 -1.08 0.00 0.00 175.30 173.57 2kk6 s GLU 43 N -1.62 4.77 -0.02 3.89 2.12 0.17 -0.62 118.70 127.39 2kk6 s GLU 43 Ca 0.11 1.39 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 2kk6 s GLU 43 Cb -0.10 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 30.94 2kk6 s GLU 43 CO 0.04 0.53 1.89 0.45 -0.54 0.00 0.00 175.26 177.63 2kk6 s SER 44 N -1.14 6.41 -0.81 -1.70 0.15 0.02 -4.51 113.70 112.12 2kk6 s SER 44 Ca 0.39 2.43 -0.23 0.00 0.70 0.00 0.00 55.95 59.24 2kk6 s SER 44 Cb -0.25 -2.53 -0.17 0.00 -1.71 0.00 0.00 66.02 61.36 2kk6 s SER 44 CO 0.30 -1.12 2.38 1.57 1.20 0.00 0.00 173.24 177.57 2kk6 n HIS 45 N 7.87 0.99 0.00 3.44 -0.00 -1.26 -0.53 115.22 125.73 2kk6 n HIS 45 Ca 0.20 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 2kk6 n HIS 45 Cb 0.42 -2.29 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 6.56 1.14 2.68 1.57 0.00 -1.26 -5.07 105.19 110.81 2kk6 n GLY 46 Ca 0.50 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.46 1.27 -0.96 1.61 2.36 0.31 -5.07 119.74 118.80 2kk6 s LYS 47 Ca 0.00 -2.03 -0.25 0.00 -2.55 0.00 0.00 55.97 51.14 2kk6 s LYS 47 Cb 0.00 -2.26 -0.10 0.00 -1.05 0.00 0.00 37.83 34.42 2kk6 s LYS 47 CO 0.00 -1.18 2.08 -1.25 1.55 0.00 0.00 175.35 176.54 2kk6 s PRO 48 N 0.30 2.12 0.00 4.03 0.04 -1.26 -2.27 135.00 137.96 2kk6 s PRO 48 Ca 0.19 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2kk6 s PRO 48 Cb -0.21 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2kk6 s PRO 48 CO -0.02 -4.06 0.00 0.41 0.04 0.00 0.00 177.00 173.37 2kk6 n GLY 49 N 6.52 1.30 3.72 0.56 0.00 -1.26 -5.13 105.19 110.91 2kk6 n GLY 49 Ca 0.43 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 4.26 0.06 1.61 2.12 -0.96 -4.79 118.70 121.00 2kk6 s GLU 50 Ca 0.00 0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.50 2kk6 s GLU 50 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2kk6 s GLU 50 CO 0.00 0.22 -0.13 0.71 -0.54 0.00 0.00 175.26 175.52 2kk6 s TYR 51 N 0.51 1.12 -0.15 5.30 1.51 -1.26 -0.80 117.35 123.58 2kk6 s TYR 51 Ca 0.17 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2kk6 s TYR 51 Cb -0.13 -0.64 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 2kk6 s TYR 51 CO 0.04 0.03 -0.20 0.08 -1.11 0.00 0.00 175.55 174.39 2kk6 s VAL 52 N -1.18 2.22 -0.22 0.71 1.01 0.21 -0.62 120.40 122.53 2kk6 s VAL 52 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 2kk6 s VAL 52 Cb -0.09 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2kk6 s VAL 52 CO 0.02 0.54 0.69 -0.22 0.00 0.00 0.00 175.10 176.13 2kk6 s LEU 53 N 0.87 4.10 -0.37 3.92 2.96 0.37 -1.69 118.68 128.84 2kk6 s LEU 53 Ca -0.05 0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 54.68 2kk6 s LEU 53 Cb -0.15 -2.97 0.07 0.00 0.50 0.00 0.00 46.19 43.64 2kk6 s LEU 53 CO -0.03 -0.37 0.14 -0.55 -1.32 0.00 0.00 176.35 174.23 2kk6 s SER 54 N 1.32 5.25 0.06 3.68 0.15 0.00 -0.74 113.70 123.43 2kk6 s SER 54 Ca 0.30 -1.56 0.08 0.00 0.70 0.00 0.00 55.95 55.47 2kk6 s SER 54 Cb -0.16 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 2kk6 s SER 54 CO 0.09 -0.43 -0.22 0.54 1.20 0.00 0.00 173.24 174.42 2kk6 s VAL 55 N 1.28 1.83 -0.20 4.45 0.11 -0.07 -1.50 120.40 126.29 2kk6 s VAL 55 Ca 0.02 -1.36 -0.06 0.00 -2.93 0.00 0.00 61.98 57.64 2kk6 s VAL 55 Cb -0.21 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 2kk6 s VAL 55 CO -0.01 0.17 0.03 -0.47 -3.33 0.00 0.00 175.10 171.49 2kk6 s TYR 56 N -0.90 3.11 -0.11 1.54 5.04 0.29 0.18 117.35 126.50 2kk6 s TYR 56 Ca 0.09 -0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.40 2kk6 s TYR 56 Cb -0.09 -2.10 0.05 0.00 0.35 0.00 0.00 41.96 40.16 2kk6 s TYR 56 CO 0.03 -0.11 0.27 0.45 -1.34 0.00 0.00 175.55 174.85 2kk6 s SER 57 N 0.86 -0.31 -1.47 4.32 0.15 -0.51 -0.13 113.70 116.61 2kk6 s SER 57 Ca 0.02 0.58 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 2kk6 s SER 57 Cb -0.14 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.71 2kk6 s SER 57 CO 0.02 -0.16 1.04 0.47 1.20 0.00 0.00 173.24 175.82 2kk6 n ASP 58 N 4.09 -5.40 0.00 5.45 8.00 -1.26 -1.08 116.55 126.34 2kk6 n ASP 58 Ca -0.24 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2kk6 n ASP 58 Cb 0.54 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 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 -1.80 1.41 3.58 0.44 0.00 -1.26 -5.02 105.19 102.54 2kk6 n GLY 59 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.06 2.65 -0.62 1.61 -0.21 -0.25 -5.08 119.66 117.71 2kk6 s GLN 60 Ca 0.00 -0.62 -0.26 0.00 0.02 0.00 0.00 55.36 54.50 2kk6 s GLN 60 Cb 0.00 -2.54 0.04 0.00 1.00 0.00 0.00 33.01 31.51 2kk6 s GLN 60 CO 0.00 0.64 1.10 1.03 -2.12 0.00 0.00 175.29 175.94 2kk6 s ARG 61 N -1.02 3.33 -0.39 2.91 3.00 -1.26 -1.43 118.95 124.10 2kk6 s ARG 61 Ca 0.14 -0.16 -0.22 0.00 0.00 0.00 0.00 55.73 55.49 2kk6 s ARG 61 Cb -0.11 -4.09 0.01 0.00 0.00 0.00 0.00 34.95 30.76 2kk6 s ARG 61 CO 0.03 -1.74 0.69 1.03 0.00 0.00 0.00 175.30 175.32 2kk6 s ARG 62 N 4.68 3.57 -0.25 3.54 1.81 0.13 -4.96 118.95 127.47 2kk6 s ARG 62 Ca 0.34 -0.00 -0.04 0.00 -1.72 0.00 0.00 55.73 54.31 2kk6 s ARG 62 Cb -0.10 -3.86 0.00 0.00 -0.45 0.00 0.00 34.95 30.54 2kk6 s ARG 62 CO 0.19 -0.88 -0.01 -1.01 -0.68 0.00 0.00 175.30 172.91 2kk6 s HIS 63 N 2.91 3.03 -0.21 -0.53 3.76 -1.26 -0.89 115.29 122.10 2kk6 s HIS 63 Ca 0.26 -1.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.09 2kk6 s HIS 63 Cb -0.14 -2.14 -0.00 0.00 1.11 0.00 0.00 32.58 31.41 2kk6 s HIS 63 CO 0.17 -0.58 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.34 2kk6 s PHE 64 N 1.46 2.92 0.04 1.40 0.08 0.08 -4.96 117.98 118.99 2kk6 s PHE 64 Ca 0.04 -1.10 -0.27 0.00 0.12 0.00 0.00 56.93 55.72 2kk6 s PHE 64 Cb -0.15 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 2kk6 s PHE 64 CO -0.02 -0.61 0.85 0.42 -0.10 0.00 0.00 175.22 175.76 2kk6 s ILE 65 N 1.44 4.74 -0.29 0.64 1.01 -1.26 -0.48 121.20 127.00 2kk6 s ILE 65 Ca 0.06 1.80 -0.24 0.00 0.00 0.00 0.00 60.65 62.27 2kk6 s ILE 65 Cb -0.14 -4.20 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 2kk6 s ILE 65 CO -0.06 0.30 0.80 -0.63 0.00 0.00 0.00 174.94 175.35 2kk6 s ILE 66 N 0.29 4.80 -0.14 2.92 1.01 0.21 -4.75 121.20 125.54 2kk6 s ILE 66 Ca 0.43 1.28 -0.18 0.00 0.00 0.00 0.00 60.65 62.18 2kk6 s ILE 66 Cb -0.21 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2kk6 s ILE 66 CO 0.25 -0.21 0.47 -1.10 0.00 0.00 0.00 174.94 174.35 2kk6 s GLN 67 N 2.94 4.30 -0.68 2.79 1.11 -0.88 -4.23 119.66 125.01 2kk6 s GLN 67 Ca 0.33 0.42 -0.18 0.00 0.01 0.00 0.00 55.36 55.94 2kk6 s GLN 67 Cb -0.14 -3.46 0.13 0.00 -1.01 0.00 0.00 33.01 28.53 2kk6 s GLN 67 CO 0.11 0.10 0.76 -0.47 0.01 0.00 0.00 175.29 175.80 2kk6 s TYR 68 N 0.82 3.17 -0.01 0.91 5.04 -1.26 -1.77 117.35 124.27 2kk6 s TYR 68 Ca 0.25 -1.24 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 2kk6 s TYR 68 Cb -0.15 -4.00 -0.01 0.00 0.35 0.00 0.00 41.96 38.15 2kk6 s TYR 68 CO 0.10 -1.25 -0.13 0.08 -1.34 0.00 0.00 175.55 173.01 2kk6 s VAL 69 N 2.14 1.01 -1.86 3.14 1.01 -0.40 -4.72 120.40 120.71 2kk6 s VAL 69 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2kk6 s VAL 69 Cb -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2kk6 s VAL 69 CO 0.01 0.25 0.00 0.47 0.00 0.00 0.00 175.10 175.83 2kk6 n ASP 70 N 2.69 -5.55 -1.34 3.32 8.00 -1.26 -0.58 116.55 121.82 2kk6 n ASP 70 Ca -0.14 0.19 -0.16 0.00 0.71 0.00 0.00 54.79 55.39 2kk6 n ASP 70 Cb 0.56 -4.67 -0.05 0.00 -0.02 0.00 0.00 41.12 36.93 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 -1.55 -4.83 -4.10 -2.24 3.02 -1.26 -5.01 115.26 99.29 2kk6 n ASN 71 Ca -0.22 0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 2kk6 n ASN 71 Cb 0.67 -3.77 -0.16 0.00 -0.61 0.00 0.00 39.78 35.90 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 -3.68 1.85 -0.09 3.52 -1.94 0.25 -4.36 119.30 114.85 2kk6 s MET 72 Ca 0.00 -0.56 -0.27 0.00 -1.71 0.00 0.00 55.69 53.15 2kk6 s MET 72 Cb 0.00 -1.55 -0.02 0.00 2.01 0.00 0.00 34.83 35.27 2kk6 s MET 72 CO 0.00 0.16 0.89 0.71 -0.01 0.00 0.00 175.02 176.77 2kk6 s TYR 73 N 0.28 3.54 0.13 -0.03 2.02 0.99 -1.28 117.35 123.00 2kk6 s TYR 73 Ca -0.09 1.46 -0.01 0.00 -0.37 0.00 0.00 57.07 58.06 2kk6 s TYR 73 Cb -0.13 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 2kk6 s TYR 73 CO 0.03 -0.11 0.07 -0.98 -1.57 0.00 0.00 175.55 172.99 2kk6 s ARG 74 N 1.54 0.94 0.00 -0.62 1.70 -0.73 -0.98 118.95 120.81 2kk6 s ARG 74 Ca 0.44 -1.44 0.00 0.00 -0.47 0.00 0.00 55.73 54.27 2kk6 s ARG 74 Cb -0.18 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.44 2kk6 s ARG 74 CO 0.19 -0.27 0.00 1.19 -1.08 0.00 0.00 175.30 175.33 2kk6 n PHE 75 N -0.10 0.00 0.00 5.89 3.72 -1.23 -2.08 117.46 123.65 2kk6 n PHE 75 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2kk6 n PHE 75 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.34 0.00 0.00 -1.08 4.07 -1.25 -4.91 120.64 116.12 2kk6 n GLU 76 Ca 0.00 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 2kk6 n GLU 76 Cb 0.00 -1.04 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kk6 n GLY 77 N 1.38 0.05 3.83 8.31 0.00 -1.26 -5.11 105.19 112.39 2kk6 n GLY 77 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.00 4.43 0.15 2.61 -1.32 -1.26 -5.02 115.64 114.23 2kk6 s THR 78 Ca 0.00 1.21 -0.21 0.00 -1.21 0.00 0.00 61.69 61.49 2kk6 s THR 78 Cb 0.00 -3.67 0.06 0.00 -1.51 0.00 0.00 72.50 67.38 2kk6 s THR 78 CO 0.00 -0.62 0.54 -0.83 -2.21 0.00 0.00 174.62 171.50 2kk6 s GLY 79 N -2.91 -0.47 0.07 6.08 0.00 -1.26 -3.56 107.32 105.26 2kk6 s GLY 79 Ca 0.60 0.26 0.07 0.00 0.00 0.00 0.00 44.72 45.66 2kk6 s GLY 79 CO 0.29 -0.01 -0.20 -1.36 0.00 0.00 0.00 173.10 171.82 2kk6 s PHE 80 N -3.78 1.71 0.58 1.90 0.40 -0.15 -4.83 117.98 113.82 2kk6 s PHE 80 Ca 0.02 -0.39 0.28 0.00 -0.60 0.00 0.00 56.93 56.24 2kk6 s PHE 80 Cb -0.00 -0.98 1.58 0.00 0.51 0.00 0.00 43.02 44.12 2kk6 s PHE 80 CO -0.12 0.13 2.04 0.77 0.70 0.00 0.00 175.22 178.74 2kk6 h SER 81 N 4.54 0.00 -4.30 1.36 0.02 -1.87 0.28 113.55 113.58 2kk6 h SER 81 Ca -0.43 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 59.99 2kk6 h SER 81 Cb 1.17 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 2kk6 h SER 81 CO 0.42 0.00 -0.82 0.20 -1.14 0.00 0.00 176.83 175.48 2kk6 s ASN 82 N -5.71 2.03 0.09 3.07 0.01 -1.26 -4.62 114.94 108.55 2kk6 s ASN 82 Ca -0.05 -0.39 -0.22 0.00 -0.71 0.00 0.00 52.86 51.49 2kk6 s ASN 82 Cb 0.16 -0.19 -0.13 0.00 0.41 0.00 0.00 41.25 41.50 2kk6 s ASN 82 CO 0.57 0.16 1.70 0.40 -1.51 0.00 0.00 177.10 178.41 2kk6 h ILE 83 N 4.58 1.06 -0.58 0.60 2.04 -1.94 0.16 117.51 123.43 2kk6 h ILE 83 Ca -0.38 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 65.41 2kk6 h ILE 83 Cb 1.16 1.06 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 2kk6 h ILE 83 CO 0.46 0.05 0.12 1.55 0.00 0.00 0.00 178.15 180.34 2kk6 h PRO 84 N 0.04 0.25 -0.55 2.37 0.13 -1.95 -0.88 132.00 131.40 2kk6 h PRO 84 Ca 0.02 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kk6 h PRO 84 Cb 0.05 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2kk6 h PRO 84 CO -0.00 0.17 0.33 1.96 -0.23 0.00 0.00 178.00 180.22 2kk6 h GLN 85 N 0.26 0.75 0.38 0.86 1.08 -1.90 0.21 115.11 116.75 2kk6 h GLN 85 Ca 0.30 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2kk6 h GLN 85 Cb 0.44 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 2kk6 h GLN 85 CO -0.39 0.55 -0.41 1.25 -0.95 0.00 0.00 178.83 178.88 2kk6 h LEU 86 N 0.74 -1.12 0.06 1.46 5.85 -0.10 -0.02 115.31 122.18 2kk6 h LEU 86 Ca 0.20 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 2kk6 h LEU 86 Cb -0.01 0.38 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2kk6 h LEU 86 CO -0.04 -0.55 -0.03 0.40 -0.34 0.00 0.00 178.44 177.88 2kk6 h ILE 87 N -0.82 1.17 -0.43 4.05 1.08 -1.17 -2.75 117.51 118.65 2kk6 h ILE 87 Ca -0.03 -0.79 0.04 0.00 -0.39 0.00 0.00 64.86 63.69 2kk6 h ILE 87 Cb 0.74 1.69 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 2kk6 h ILE 87 CO -0.08 0.20 0.21 -0.78 -0.69 0.00 0.00 178.15 177.00 2kk6 h ASP 88 N -0.43 0.30 -0.63 1.72 3.58 -0.98 0.56 116.42 120.54 2kk6 h ASP 88 Ca -0.01 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2kk6 h ASP 88 Cb 0.38 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2kk6 h ASP 88 CO 0.01 0.22 0.29 -0.74 -2.88 0.00 0.00 179.24 176.13 2kk6 h HIS 89 N 0.42 0.96 -0.30 0.28 2.76 -1.03 0.15 115.15 118.39 2kk6 h HIS 89 Ca 0.19 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 2kk6 h HIS 89 Cb 0.10 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2kk6 h HIS 89 CO -0.11 0.72 -0.20 0.45 -1.30 0.00 0.00 177.93 177.50 2kk6 h HIS 90 N 0.94 0.78 -0.40 5.26 3.86 -1.13 -2.36 115.15 122.11 2kk6 h HIS 90 Ca 0.23 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 2kk6 h HIS 90 Cb 0.15 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 2kk6 h HIS 90 CO 0.01 0.92 0.15 -0.92 0.86 0.00 0.00 177.93 178.95 2kk6 h TYR 91 N 0.42 0.63 0.00 2.45 3.20 -0.39 0.24 116.97 123.51 2kk6 h TYR 91 Ca 0.06 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2kk6 h TYR 91 Cb 0.74 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2kk6 h TYR 91 CO 0.06 0.57 -0.59 1.79 -1.64 0.00 0.00 178.16 178.35 2kk6 h THR 92 N 0.51 1.24 0.00 1.81 1.35 -0.78 -2.90 112.91 114.14 2kk6 h THR 92 Ca 0.13 -2.15 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2kk6 h THR 92 Cb 0.22 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2kk6 h THR 92 CO -0.01 0.58 -0.67 0.35 -0.25 0.00 0.00 175.52 175.52 2kk6 n THR 93 N -3.58 0.09 -1.93 6.82 -2.24 -0.89 -4.96 114.28 107.60 2kk6 n THR 93 Ca -0.00 -0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.50 2kk6 n THR 93 Cb 0.65 0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.70 -1.33 -3.00 -0.78 3.00 0.77 -4.97 118.16 110.16 2kk6 n LYS 94 Ca 0.04 0.99 -0.40 0.00 -0.00 0.00 0.00 58.31 58.95 2kk6 n LYS 94 Cb 0.37 -5.37 -0.05 0.00 0.00 0.00 0.00 35.03 29.99 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 -4.20 4.47 0.57 1.64 -0.44 -0.75 -4.80 119.66 116.14 2kk6 s GLN 95 Ca 0.00 1.00 -0.21 0.00 -2.50 0.00 0.00 55.36 53.66 2kk6 s GLN 95 Cb 0.00 -3.40 -0.05 0.00 -1.64 0.00 0.00 33.01 27.92 2kk6 s GLN 95 CO 0.00 0.17 1.25 1.33 0.50 0.00 0.00 175.29 178.54 2kk6 n VAL 96 N 3.29 3.91 0.38 1.34 0.24 -1.26 -4.69 118.33 121.54 2kk6 n VAL 96 Ca -0.01 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.34 61.63 2kk6 n VAL 96 Cb 0.51 -1.50 -0.07 0.00 -1.47 0.00 0.00 33.84 31.30 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 1.11 0.00 -3.98 1.34 1.08 -1.60 -3.46 117.51 112.00 2kk6 h ILE 97 Ca -0.50 -0.27 -0.39 0.00 -0.39 0.00 0.00 64.86 63.31 2kk6 h ILE 97 Cb 1.32 0.00 -0.29 0.00 -3.07 0.00 0.00 36.82 34.78 2kk6 h ILE 97 CO 0.55 0.00 -0.78 0.42 -0.69 0.00 0.00 178.15 177.65 2kk6 s THR 98 N -4.79 0.70 0.28 -0.27 -4.23 -1.26 -3.89 115.64 102.18 2kk6 s THR 98 Ca -0.15 -0.36 0.22 0.00 -1.18 0.00 0.00 61.69 60.22 2kk6 s THR 98 Cb 0.01 -0.60 0.21 0.00 1.34 0.00 0.00 72.50 73.47 2kk6 s THR 98 CO 0.44 0.20 1.89 0.11 -0.54 0.00 0.00 174.62 176.72 2kk6 h LYS 99 N 6.04 0.00 0.00 3.99 1.79 -1.97 0.25 116.57 126.67 2kk6 h LYS 99 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 2kk6 h LYS 99 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2kk6 h LYS 99 CO 0.49 0.24 0.00 0.87 -1.08 0.00 0.00 179.45 179.98 2kk6 h LYS 100 N 0.00 0.00 0.00 3.15 6.56 -2.01 -3.23 116.57 121.04 2kk6 h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2kk6 h LYS 100 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2kk6 h LYS 100 CO 0.03 0.00 -0.90 0.43 -2.06 0.00 0.00 179.45 176.95 2kk6 n SER 101 N -2.79 4.26 -2.18 0.86 7.64 -1.00 -5.06 113.62 115.35 2kk6 n SER 101 Ca -0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.76 2kk6 n SER 101 Cb 0.13 0.33 0.04 0.00 -1.01 0.00 0.00 64.21 63.70 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 2.91 0.11 3.61 0.23 0.00 0.86 -5.03 105.19 107.88 2kk6 n GLY 102 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.18 4.76 0.12 1.61 1.01 -1.25 -5.00 120.40 118.47 2kk6 s VAL 103 Ca 0.19 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2kk6 s VAL 103 Cb -0.08 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2kk6 s VAL 103 CO 0.38 0.43 0.23 -0.69 0.00 0.00 0.00 175.10 175.45 2kk6 s VAL 104 N 0.60 5.17 -0.40 2.92 1.01 -1.26 -1.35 120.40 127.09 2kk6 s VAL 104 Ca 0.04 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 2kk6 s VAL 104 Cb -0.13 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2kk6 s VAL 104 CO 0.01 -0.01 0.74 -0.76 0.00 0.00 0.00 175.10 175.08 2kk6 s LEU 105 N -2.95 4.24 0.19 3.92 1.43 -1.26 -4.87 118.68 119.38 2kk6 s LEU 105 Ca 0.34 0.06 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2kk6 s LEU 105 Cb -0.12 -2.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 2kk6 s LEU 105 CO 0.27 -0.78 0.20 -1.48 0.23 0.00 0.00 176.35 174.79 2kk6 s LEU 106 N 3.06 1.09 -0.44 1.79 2.34 -1.25 -4.82 118.68 120.45 2kk6 s LEU 106 Ca 0.28 -1.21 -0.21 0.00 0.06 0.00 0.00 54.13 53.05 2kk6 s LEU 106 Cb -0.13 0.71 0.03 0.00 -0.56 0.00 0.00 46.19 46.24 2kk6 s LEU 106 CO 0.19 -0.88 0.62 0.59 -1.06 0.00 0.00 176.35 175.80 2kk6 n ASN 107 N -0.25 -7.40 -4.57 1.48 3.02 -1.26 -3.82 115.26 102.45 2kk6 n ASN 107 Ca -0.01 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.51 2kk6 n ASN 107 Cb 0.64 -4.55 -0.03 0.00 -0.61 0.00 0.00 39.78 35.24 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 -2.58 3.07 -0.32 3.52 0.04 -1.26 -3.22 135.00 134.26 2kk6 s PRO 108 Ca 0.28 0.66 -0.28 0.00 0.04 0.00 0.00 61.00 61.70 2kk6 s PRO 108 Cb -0.06 -4.23 -0.02 0.00 0.04 0.00 0.00 34.50 30.22 2kk6 s PRO 108 CO 0.79 -2.20 1.87 0.42 0.04 0.00 0.00 177.00 177.92 2kk6 s ILE 109 N 7.23 3.40 0.62 0.56 -1.09 -1.20 -4.87 121.20 125.85 2kk6 s ILE 109 Ca 0.62 0.40 -0.16 0.00 -2.23 0.00 0.00 60.65 59.28 2kk6 s ILE 109 Cb -0.13 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2kk6 s ILE 109 CO 0.25 -0.35 1.11 -2.16 -1.23 0.00 0.00 174.94 172.56 2kk6 s PRO 110 N 5.79 3.00 -0.13 2.79 0.04 -1.26 -3.77 135.00 141.48 2kk6 s PRO 110 Ca 0.83 1.44 -0.06 0.00 0.04 0.00 0.00 61.00 63.25 2kk6 s PRO 110 Cb -0.24 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2kk6 s PRO 110 CO 0.34 -1.10 0.09 -1.59 0.04 0.00 0.00 177.00 174.78 2kk6 s LYS 111 N -3.85 3.48 -0.30 4.56 -2.85 -0.44 -4.94 119.74 115.39 2kk6 s LYS 111 Ca 0.68 -0.25 -0.12 0.00 -1.00 0.00 0.00 55.97 55.28 2kk6 s LYS 111 Cb -0.21 -3.10 -0.04 0.00 -2.06 0.00 0.00 37.83 32.42 2kk6 s LYS 111 CO 0.37 0.63 0.22 -0.51 0.10 0.00 0.00 175.35 176.15 2kk6 s ASP 112 N -0.62 6.04 0.00 0.03 1.01 -1.26 -4.98 116.67 116.90 2kk6 s ASP 112 Ca 0.12 -0.15 -0.00 0.00 0.71 0.00 0.00 52.55 53.22 2kk6 s ASP 112 Cb -0.12 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 2kk6 s ASP 112 CO 0.02 -0.12 1.84 2.29 0.21 0.00 0.00 175.17 179.41 2kk6 n LYS 113 N 5.09 0.93 -2.47 8.23 -0.00 -1.26 -4.86 118.16 123.82 2kk6 n LYS 113 Ca -0.13 -0.06 -0.25 0.00 -0.00 0.00 0.00 58.31 57.86 2kk6 n LYS 113 Cb 0.51 -1.13 0.04 0.00 -0.00 0.00 0.00 35.03 34.45 2kk6 n LYS 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kk6 s LYS 114 N 0.34 2.75 -0.29 -1.58 -0.14 -1.26 -5.01 119.74 114.54 2kk6 s LYS 114 Ca 0.04 -0.22 0.11 0.00 -1.36 0.00 0.00 55.97 54.55 2kk6 s LYS 114 Cb 0.02 -2.32 0.66 0.00 -1.68 0.00 0.00 37.83 34.51 2kk6 s LYS 114 CO 0.00 -0.75 1.67 0.91 -0.76 0.00 0.00 175.35 176.42 2kk6 n TRP 115 N -2.55 1.90 1.58 3.18 7.02 -1.26 -5.28 117.44 122.03 2kk6 n TRP 115 Ca 0.05 -1.20 0.13 0.00 -1.02 0.00 0.00 57.50 55.46 2kk6 n TRP 115 Cb 0.58 -0.58 0.75 0.00 -2.42 0.00 0.00 31.31 29.65 2kk6 n TRP 115 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78