#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 1.29 0.11 3.03 0.00 -1.26 -5.13 107.32 105.37 2kk6 s GLY 2 Ca 0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.62 2kk6 s GLY 2 CO 0.00 -0.99 0.17 -2.38 0.00 0.00 0.00 173.10 169.90 2kk6 s HIS 3 N -2.20 0.34 0.14 1.90 0.00 -1.26 -5.13 115.29 109.08 2kk6 s HIS 3 Ca 0.38 -0.76 -0.35 0.00 -3.00 0.00 0.00 55.06 51.33 2kk6 s HIS 3 Cb -0.09 -0.14 -0.15 0.00 -4.00 0.00 0.00 32.58 28.20 2kk6 s HIS 3 CO 0.33 -0.57 1.50 -2.39 -1.00 0.00 0.00 174.74 172.61 2kk6 n HIS 4 N -0.08 2.03 -3.61 0.38 -0.00 -1.26 -4.99 115.22 107.69 2kk6 n HIS 4 Ca -0.12 0.39 -0.20 0.00 -0.00 0.00 0.00 57.72 57.79 2kk6 n HIS 4 Cb 0.62 -2.47 -0.16 0.00 -0.00 0.00 0.00 29.99 27.99 2kk6 n HIS 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kk6 s HIS 5 N 0.75 -0.08 0.09 -1.40 5.65 -1.26 -5.15 115.29 113.89 2kk6 s HIS 5 Ca 0.80 0.22 0.09 0.00 0.25 0.00 0.00 55.06 56.42 2kk6 s HIS 5 Cb -0.77 -0.43 -0.03 0.00 -1.18 0.00 0.00 32.58 30.17 2kk6 s HIS 5 CO 0.41 -0.41 -0.24 -1.01 -0.65 0.00 0.00 174.74 172.83 2kk6 s HIS 6 N 2.25 2.09 -0.78 3.88 0.09 -1.26 -5.10 115.29 116.45 2kk6 s HIS 6 Ca 0.04 -0.40 -0.16 0.00 -0.00 0.00 0.00 55.06 54.55 2kk6 s HIS 6 Cb -0.14 -1.18 0.18 0.00 -0.00 0.00 0.00 32.58 31.44 2kk6 s HIS 6 CO -0.08 0.22 0.79 -1.01 -0.00 0.00 0.00 174.74 174.66 2kk6 s HIS 7 N -0.99 3.49 -0.28 1.40 4.02 -1.26 -4.97 115.29 116.70 2kk6 s HIS 7 Ca 0.10 -1.67 -0.02 0.00 1.02 0.00 0.00 55.06 54.49 2kk6 s HIS 7 Cb -0.10 -3.92 0.09 0.00 -1.02 0.00 0.00 32.58 27.63 2kk6 s HIS 7 CO 0.04 -1.12 0.10 -1.01 1.02 0.00 0.00 174.74 173.77 2kk6 s HIS 8 N 1.10 1.11 0.09 1.40 0.09 -1.26 -5.12 115.29 112.71 2kk6 s HIS 8 Ca 0.18 -1.27 -0.05 0.00 -0.00 0.00 0.00 55.06 53.92 2kk6 s HIS 8 Cb -0.13 -1.31 0.02 0.00 -0.00 0.00 0.00 32.58 31.16 2kk6 s HIS 8 CO -0.06 -0.80 0.25 0.45 -0.00 0.00 0.00 174.74 174.58 2kk6 n SER 9 N 5.02 -0.60 -4.75 1.40 2.88 -1.26 -5.17 113.62 111.14 2kk6 n SER 9 Ca -0.05 -1.39 -0.29 0.00 -1.33 0.00 0.00 58.87 55.82 2kk6 n SER 9 Cb 0.43 0.99 0.14 0.00 -0.75 0.00 0.00 64.21 65.03 2kk6 n SER 9 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2kk6 s HIS 10 N -6.36 2.41 -0.55 0.66 0.00 -1.26 -4.91 115.29 105.29 2kk6 s HIS 10 Ca 0.05 0.97 -0.27 0.00 -3.00 0.00 0.00 55.06 52.81 2kk6 s HIS 10 Cb -0.01 -3.30 -0.03 0.00 -4.00 0.00 0.00 32.58 25.24 2kk6 s HIS 10 CO 0.03 -2.46 2.01 1.41 -1.00 0.00 0.00 174.74 174.73 2kk6 s MET 11 N -5.14 2.56 0.67 -0.38 1.75 -1.26 -4.97 119.30 112.53 2kk6 s MET 11 Ca 0.64 0.92 -0.17 0.00 -1.25 0.00 0.00 55.69 55.83 2kk6 s MET 11 Cb -0.16 -4.42 0.01 0.00 2.84 0.00 0.00 34.83 33.09 2kk6 s MET 11 CO 0.55 -2.79 1.23 0.15 -0.65 0.00 0.00 175.02 173.51 2kk6 s LYS 12 N 7.23 2.45 1.17 4.11 -0.14 -1.26 -5.02 119.74 128.28 2kk6 s LYS 12 Ca 0.77 1.86 -0.13 0.00 -1.36 0.00 0.00 55.97 57.10 2kk6 s LYS 12 Cb -0.15 -1.86 0.29 0.00 -1.68 0.00 0.00 37.83 34.43 2kk6 s LYS 12 CO 0.24 -1.62 1.03 -1.25 -0.76 0.00 0.00 175.35 172.98 2kk6 s PRO 13 N -3.63 -1.00 0.22 -1.68 0.04 -1.26 -4.73 135.00 122.96 2kk6 s PRO 13 Ca 0.77 0.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.45 2kk6 s PRO 13 Cb -0.32 -1.55 0.22 0.00 0.04 0.00 0.00 34.50 32.89 2kk6 s PRO 13 CO 0.41 -3.74 1.86 1.25 0.04 0.00 0.00 177.00 176.81 2kk6 h LEU 14 N -2.63 0.79 -2.36 -3.56 5.85 -1.96 -1.14 115.31 110.30 2kk6 h LEU 14 Ca -0.61 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 2kk6 h LEU 14 Cb 1.34 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2kk6 h LEU 14 CO 0.51 0.54 -0.03 0.00 -0.34 0.00 0.00 178.44 179.12 2kk6 h ALA 15 N 1.32 1.12 0.00 1.25 0.00 -1.94 -2.13 119.26 118.88 2kk6 h ALA 15 Ca 0.31 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 2kk6 h ALA 15 Cb 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2kk6 h ALA 15 CO -0.11 0.04 -1.38 0.93 0.00 0.00 0.00 179.25 178.72 2kk6 h GLU 16 N 0.00 0.00 -6.40 0.00 4.39 -1.56 -3.47 114.58 107.54 2kk6 h GLU 16 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2kk6 h GLU 16 Cb 0.19 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2kk6 h GLU 16 CO 0.00 0.52 1.06 1.04 -1.16 0.00 0.00 179.01 180.47 2kk6 n GLN 17 N -3.07 2.45 0.14 2.33 1.13 -0.80 -4.87 117.38 114.68 2kk6 n GLN 17 Ca -0.10 0.89 0.06 0.00 -1.94 0.00 0.00 57.00 55.91 2kk6 n GLN 17 Cb 0.94 -2.75 0.52 0.00 0.11 0.00 0.00 30.24 29.06 2kk6 n GLN 17 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2kk6 h ASP 18 N 8.51 0.22 0.70 1.08 3.32 -1.90 -0.87 116.42 127.49 2kk6 h ASP 18 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2kk6 h ASP 18 Cb 1.25 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2kk6 h ASP 18 CO 0.93 0.18 0.00 -2.67 -1.72 0.00 0.00 179.24 175.97 2kk6 n TRP 19 N -4.49 0.00 -3.27 4.55 4.27 -1.26 -2.53 117.44 114.72 2kk6 n TRP 19 Ca -0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 2kk6 n TRP 19 Cb 0.09 -0.37 -0.07 0.00 -1.36 0.00 0.00 31.31 29.60 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 -2.75 3.35 -0.67 -2.67 5.04 -0.33 -0.45 117.35 118.87 2kk6 s TYR 20 Ca 0.21 0.72 0.05 0.00 -2.44 0.00 0.00 57.07 55.61 2kk6 s TYR 20 Cb 0.19 -2.65 0.26 0.00 0.35 0.00 0.00 41.96 40.11 2kk6 s TYR 20 CO 0.46 -0.12 0.84 0.72 -1.34 0.00 0.00 175.55 176.11 2kk6 n HIS 21 N 4.87 3.59 -3.39 4.97 8.25 -0.30 -4.78 115.22 128.43 2kk6 n HIS 21 Ca -0.05 -4.00 -0.17 0.00 -0.26 0.00 0.00 57.72 53.24 2kk6 n HIS 21 Cb 0.50 -0.61 -0.05 0.00 1.12 0.00 0.00 29.99 30.95 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 0.75 -0.08 2.41 -1.41 0.00 -1.26 -1.18 105.19 104.42 2kk6 n GLY 22 Ca 0.30 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.78 -0.58 -1.43 4.61 0.00 -1.26 -4.87 120.51 114.19 2kk6 n ALA 23 Ca -0.14 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 2kk6 n ALA 23 Cb 0.34 -1.96 0.08 0.00 0.00 0.00 0.00 19.45 17.92 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 -3.47 3.29 -1.51 0.00 -5.35 -0.33 -4.71 119.36 107.28 2kk6 n ILE 24 Ca -0.21 -0.39 -0.39 0.00 -0.27 0.00 0.00 62.75 61.49 2kk6 n ILE 24 Cb 0.65 -1.20 0.03 0.00 -1.74 0.00 0.00 39.64 37.39 2kk6 n ILE 24 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 2kk6 n PRO 25 N -1.95 0.67 -0.35 6.28 -0.02 -1.26 -4.71 135.00 133.65 2kk6 n PRO 25 Ca 0.14 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.95 2kk6 n PRO 25 Cb 0.49 -1.80 0.25 0.00 -0.02 0.00 0.00 33.50 32.42 2kk6 n PRO 25 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2kk6 h ARG 26 N 0.46 0.95 0.53 -0.52 2.43 -1.98 -1.09 114.38 115.17 2kk6 h ARG 26 Ca -0.45 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 2kk6 h ARG 26 Cb 1.39 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2kk6 h ARG 26 CO 0.49 0.63 -0.35 0.82 -1.51 0.00 0.00 179.97 180.05 2kk6 h ILE 27 N 0.98 0.28 -0.67 1.20 2.04 -2.00 -2.54 117.51 116.80 2kk6 h ILE 27 Ca 0.48 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.46 2kk6 h ILE 27 Cb 0.48 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2kk6 h ILE 27 CO -0.25 0.00 0.45 -0.33 0.00 0.00 0.00 178.15 178.02 2kk6 h GLU 28 N -0.85 0.41 -0.56 2.37 4.39 -1.69 0.11 114.58 118.77 2kk6 h GLU 28 Ca -0.06 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2kk6 h GLU 28 Cb 0.70 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2kk6 h GLU 28 CO 0.05 0.27 -0.09 0.00 -1.16 0.00 0.00 179.01 178.08 2kk6 h ALA 29 N 1.67 0.79 0.00 3.43 0.00 -1.02 -3.02 119.26 121.11 2kk6 h ALA 29 Ca 0.32 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2kk6 h ALA 29 Cb 0.66 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kk6 h ALA 29 CO -0.09 0.67 -1.09 -0.56 0.00 0.00 0.00 179.25 178.18 2kk6 h GLN 30 N 0.92 0.00 0.00 0.00 3.07 -0.84 -3.36 115.11 114.90 2kk6 h GLN 30 Ca 0.15 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.81 2kk6 h GLN 30 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.20 2kk6 h GLN 30 CO 0.04 0.66 -0.37 0.93 0.09 0.00 0.00 178.83 180.18 2kk6 h GLU 31 N 0.00 0.00 0.00 0.06 4.39 -0.75 -2.58 114.58 115.70 2kk6 h GLU 31 Ca -0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2kk6 h GLU 31 Cb 1.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.33 2kk6 h GLU 31 CO 0.09 0.37 -0.40 1.37 -1.16 0.00 0.00 179.01 179.28 2kk6 h LEU 32 N 0.00 0.00 -9.37 1.33 8.10 -1.67 -3.45 115.31 110.25 2kk6 h LEU 32 Ca -0.00 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.44 2kk6 h LEU 32 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.02 2kk6 h LEU 32 CO 0.05 0.40 0.90 -0.76 -4.11 0.00 0.00 178.44 174.91 2kk6 s LEU 33 N -6.48 4.32 0.00 0.17 1.43 -0.97 -4.86 118.68 112.29 2kk6 s LEU 33 Ca 0.04 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 2kk6 s LEU 33 Cb 0.08 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2kk6 s LEU 33 CO 0.72 -0.78 0.00 2.29 0.23 0.00 0.00 176.35 178.81 2kk6 n LYS 34 N 5.63 0.06 -4.33 1.70 2.85 -1.26 -5.02 118.16 117.80 2kk6 n LYS 34 Ca 0.14 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.17 2kk6 n LYS 34 Cb 0.43 -0.59 -0.08 0.00 -0.65 0.00 0.00 35.03 34.14 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 -1.18 2.15 -0.39 -1.58 -2.85 -1.26 -4.98 119.74 109.64 2kk6 s LYS 35 Ca 0.00 -1.54 -0.28 0.00 -1.00 0.00 0.00 55.97 53.15 2kk6 s LYS 35 Cb 0.00 -2.05 -0.02 0.00 -2.06 0.00 0.00 37.83 33.69 2kk6 s LYS 35 CO 0.00 0.31 1.88 -1.14 0.10 0.00 0.00 175.35 176.50 2kk6 s GLN 36 N -3.65 3.09 0.00 1.78 0.74 -1.25 -2.71 119.66 117.66 2kk6 s GLN 36 Ca 0.32 1.29 0.00 0.00 0.05 0.00 0.00 55.36 57.02 2kk6 s GLN 36 Cb -0.05 -4.27 0.00 0.00 1.10 0.00 0.00 33.01 29.79 2kk6 s GLN 36 CO 0.19 -2.15 0.00 0.41 -0.55 0.00 0.00 175.29 173.19 2kk6 n GLY 37 N 5.54 1.96 3.66 2.59 0.00 -0.14 -5.00 105.19 113.80 2kk6 n GLY 37 Ca 0.24 -0.14 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 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 2.93 -3.84 1.61 8.00 -1.10 -3.66 116.55 120.49 2kk6 n ASP 38 Ca 0.00 1.09 -0.12 0.00 0.71 0.00 0.00 54.79 56.47 2kk6 n ASP 38 Cb 0.00 -1.40 -0.10 0.00 -0.02 0.00 0.00 41.12 39.60 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 0.83 -0.03 0.01 1.24 -0.71 -1.26 -0.53 117.98 117.53 2kk6 s PHE 39 Ca 0.79 -0.01 -0.14 0.00 -1.04 0.00 0.00 56.93 56.53 2kk6 s PHE 39 Cb -0.71 -0.01 0.02 0.00 -1.21 0.00 0.00 43.02 41.12 2kk6 s PHE 39 CO 0.39 -0.31 0.30 -0.48 -1.34 0.00 0.00 175.22 173.78 2kk6 s LEU 40 N -1.32 0.90 -0.12 -1.99 2.34 -0.46 -3.70 118.68 114.33 2kk6 s LEU 40 Ca -0.14 -0.05 -0.02 0.00 0.06 0.00 0.00 54.13 53.98 2kk6 s LEU 40 Cb -0.07 1.28 -0.03 0.00 -0.56 0.00 0.00 46.19 46.81 2kk6 s LEU 40 CO 0.02 -0.52 -0.05 -0.69 -1.06 0.00 0.00 176.35 174.06 2kk6 s VAL 41 N -1.86 3.84 0.15 1.48 1.01 0.40 -0.44 120.40 124.97 2kk6 s VAL 41 Ca -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2kk6 s VAL 41 Cb -0.03 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2kk6 s VAL 41 CO 0.01 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.55 2kk6 s ARG 42 N -0.14 1.05 0.05 2.72 1.70 -0.65 -1.15 118.95 122.53 2kk6 s ARG 42 Ca 0.02 -1.45 -0.08 0.00 -0.47 0.00 0.00 55.73 53.76 2kk6 s ARG 42 Cb -0.13 -0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 33.58 2kk6 s ARG 42 CO 0.03 0.07 0.34 -2.00 -1.08 0.00 0.00 175.30 172.66 2kk6 s GLU 43 N -3.74 3.67 0.37 3.89 2.12 -1.26 -0.83 118.70 122.92 2kk6 s GLU 43 Ca 0.16 0.05 -0.25 0.00 0.36 0.00 0.00 54.97 55.30 2kk6 s GLU 43 Cb 0.03 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 2kk6 s GLU 43 CO 0.00 0.60 1.00 0.45 -0.54 0.00 0.00 175.26 176.77 2kk6 s SER 44 N -1.77 7.02 -0.12 -1.70 0.15 0.46 -4.34 113.70 113.40 2kk6 s SER 44 Ca 0.31 1.94 -0.05 0.00 0.70 0.00 0.00 55.95 58.85 2kk6 s SER 44 Cb -0.14 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2kk6 s SER 44 CO 0.18 -0.30 -0.07 0.45 1.20 0.00 0.00 173.24 174.69 2kk6 h HIS 45 N 2.75 0.00 0.00 3.44 -0.00 -1.89 -3.38 115.15 116.06 2kk6 h HIS 45 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 2kk6 h HIS 45 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2kk6 h HIS 45 CO 0.60 0.03 -0.00 0.78 -0.00 0.00 0.00 177.93 179.33 2kk6 h GLY 46 N -1.00 0.00 -7.27 2.45 0.00 -2.00 -3.35 103.07 91.90 2kk6 h GLY 46 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2kk6 h GLY 46 CO -0.00 0.00 -0.72 1.25 0.00 0.00 0.00 176.54 177.07 2kk6 s LYS 47 N -4.06 1.29 -0.39 4.80 2.47 -1.26 -5.09 119.74 117.49 2kk6 s LYS 47 Ca -0.04 -1.81 -0.28 0.00 -1.56 0.00 0.00 55.97 52.28 2kk6 s LYS 47 Cb 0.12 -2.61 -0.03 0.00 -1.46 0.00 0.00 37.83 33.84 2kk6 s LYS 47 CO 0.44 -1.05 2.00 -1.25 0.16 0.00 0.00 175.35 175.65 2kk6 s PRO 48 N 0.74 2.93 0.00 4.03 0.04 -1.26 -2.29 135.00 139.19 2kk6 s PRO 48 Ca 0.14 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2kk6 s PRO 48 Cb -0.21 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2kk6 s PRO 48 CO -0.09 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 175.03 2kk6 n GLY 49 N 5.65 1.72 3.55 0.56 0.00 -1.26 -5.09 105.19 110.32 2kk6 n GLY 49 Ca 0.26 0.00 -0.43 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 0.00 3.48 -0.12 1.61 2.12 -0.97 -4.89 118.70 119.94 2kk6 s GLU 50 Ca 0.00 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.24 2kk6 s GLU 50 Cb 0.00 -3.92 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 2kk6 s GLU 50 CO 0.00 -1.10 0.20 0.71 -0.54 0.00 0.00 175.26 174.53 2kk6 s TYR 51 N 3.35 3.57 -0.09 5.30 1.51 -1.26 -0.41 117.35 129.32 2kk6 s TYR 51 Ca 0.31 0.57 0.03 0.00 -1.01 0.00 0.00 57.07 56.98 2kk6 s TYR 51 Cb -0.12 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 2kk6 s TYR 51 CO 0.22 0.58 -0.19 0.08 -1.11 0.00 0.00 175.55 175.14 2kk6 s VAL 52 N -0.60 1.67 0.11 0.71 1.01 -0.01 -0.57 120.40 122.71 2kk6 s VAL 52 Ca 0.15 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.14 2kk6 s VAL 52 Cb -0.13 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 2kk6 s VAL 52 CO 0.04 0.47 0.64 -0.22 0.00 0.00 0.00 175.10 176.03 2kk6 s LEU 53 N 0.56 4.54 -0.21 3.92 2.96 0.33 -1.63 118.68 129.14 2kk6 s LEU 53 Ca -0.15 1.38 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2kk6 s LEU 53 Cb -0.17 -3.06 0.06 0.00 0.50 0.00 0.00 46.19 43.53 2kk6 s LEU 53 CO 0.05 0.24 0.02 -0.44 -1.32 0.00 0.00 176.35 174.90 2kk6 s SER 54 N -1.16 3.18 0.09 3.68 0.01 0.41 -0.50 113.70 119.41 2kk6 s SER 54 Ca 0.32 -0.94 0.10 0.00 1.31 0.00 0.00 55.95 56.73 2kk6 s SER 54 Cb -0.20 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 2kk6 s SER 54 CO 0.21 -0.30 -0.24 0.54 0.41 0.00 0.00 173.24 173.87 2kk6 s VAL 55 N 1.74 2.39 -0.27 3.43 0.11 -0.04 -1.36 120.40 126.40 2kk6 s VAL 55 Ca -0.02 -1.54 -0.10 0.00 -2.93 0.00 0.00 61.98 57.40 2kk6 s VAL 55 Cb -0.17 -2.02 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2kk6 s VAL 55 CO -0.08 0.21 0.14 -0.47 -3.33 0.00 0.00 175.10 171.56 2kk6 s TYR 56 N -0.98 3.17 -0.11 1.54 6.14 0.31 0.02 117.35 127.44 2kk6 s TYR 56 Ca 0.14 -0.09 -0.09 0.00 0.64 0.00 0.00 57.07 57.67 2kk6 s TYR 56 Cb -0.10 -2.32 0.03 0.00 0.42 0.00 0.00 41.96 39.99 2kk6 s TYR 56 CO 0.05 -0.23 0.29 0.45 0.64 0.00 0.00 175.55 176.75 2kk6 s SER 57 N 1.68 -0.31 -1.86 4.32 0.15 -0.10 -0.97 113.70 116.62 2kk6 s SER 57 Ca 0.07 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2kk6 s SER 57 Cb -0.16 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2kk6 s SER 57 CO 0.08 -0.11 0.00 -0.67 1.20 0.00 0.00 173.24 173.74 2kk6 n ASP 58 N 3.19 -5.47 0.00 5.45 2.03 -1.26 -0.49 116.55 120.00 2kk6 n ASP 58 Ca -0.15 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2kk6 n ASP 58 Cb 0.57 -4.59 0.00 0.00 -0.72 0.00 0.00 41.12 36.38 2kk6 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kk6 n GLY 59 N -0.80 2.10 3.88 0.27 0.00 -1.26 -5.02 105.19 104.35 2kk6 n GLY 59 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.10 3.55 -0.53 1.61 -0.21 0.36 -5.07 119.66 119.27 2kk6 s GLN 60 Ca 0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 55.36 55.11 2kk6 s GLN 60 Cb 0.00 -3.11 0.09 0.00 1.00 0.00 0.00 33.01 30.99 2kk6 s GLN 60 CO 0.00 0.68 0.56 1.03 -2.12 0.00 0.00 175.29 175.44 2kk6 s ARG 61 N -1.60 3.04 -0.18 2.91 3.00 -1.26 -0.92 118.95 123.93 2kk6 s ARG 61 Ca 0.25 -1.29 -0.23 0.00 0.00 0.00 0.00 55.73 54.46 2kk6 s ARG 61 Cb -0.13 -4.19 -0.02 0.00 0.00 0.00 0.00 34.95 30.61 2kk6 s ARG 61 CO 0.14 -1.28 0.71 1.03 0.00 0.00 0.00 175.30 175.90 2kk6 s ARG 62 N 2.18 4.26 -0.19 3.54 1.81 0.10 -4.89 118.95 125.76 2kk6 s ARG 62 Ca 0.09 0.79 -0.04 0.00 -1.72 0.00 0.00 55.73 54.84 2kk6 s ARG 62 Cb -0.24 -3.56 -0.02 0.00 -0.45 0.00 0.00 34.95 30.67 2kk6 s ARG 62 CO 0.07 -0.25 -0.02 -1.01 -0.68 0.00 0.00 175.30 173.42 2kk6 s HIS 63 N 1.90 3.01 -0.24 -0.53 3.76 -1.26 -0.86 115.29 121.07 2kk6 s HIS 63 Ca 0.33 -0.53 -0.02 0.00 -0.15 0.00 0.00 55.06 54.69 2kk6 s HIS 63 Cb -0.16 -2.06 0.02 0.00 1.11 0.00 0.00 32.58 31.49 2kk6 s HIS 63 CO 0.12 -0.27 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.61 2kk6 s PHE 64 N 0.98 3.05 0.05 1.40 0.08 0.35 -4.95 117.98 118.93 2kk6 s PHE 64 Ca 0.01 -1.53 -0.30 0.00 0.12 0.00 0.00 56.93 55.22 2kk6 s PHE 64 Cb -0.14 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 2kk6 s PHE 64 CO 0.01 -0.72 1.01 0.42 -0.10 0.00 0.00 175.22 175.84 2kk6 s ILE 65 N 1.33 4.62 -0.20 0.64 1.01 -1.26 -0.52 121.20 126.82 2kk6 s ILE 65 Ca 0.01 1.97 -0.20 0.00 0.00 0.00 0.00 60.65 62.43 2kk6 s ILE 65 Cb -0.16 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2kk6 s ILE 65 CO -0.05 0.20 0.59 -0.63 0.00 0.00 0.00 174.94 175.06 2kk6 s ILE 66 N 0.68 5.05 -0.26 2.92 1.01 0.27 -4.51 121.20 126.35 2kk6 s ILE 66 Ca 0.51 1.11 -0.10 0.00 0.00 0.00 0.00 60.65 62.17 2kk6 s ILE 66 Cb -0.23 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2kk6 s ILE 66 CO 0.29 0.13 0.16 -1.10 0.00 0.00 0.00 174.94 174.42 2kk6 s GLN 67 N 1.84 3.93 -0.74 2.79 1.11 0.55 -4.22 119.66 124.92 2kk6 s GLN 67 Ca 0.27 -0.34 -0.23 0.00 0.01 0.00 0.00 55.36 55.08 2kk6 s GLN 67 Cb -0.16 -3.56 0.07 0.00 -1.01 0.00 0.00 33.01 28.35 2kk6 s GLN 67 CO 0.10 -0.11 1.08 -0.47 0.01 0.00 0.00 175.29 175.90 2kk6 s TYR 68 N 1.54 2.67 0.00 0.91 5.04 -1.26 -1.59 117.35 124.65 2kk6 s TYR 68 Ca 0.07 -0.62 0.03 0.00 -2.44 0.00 0.00 57.07 54.10 2kk6 s TYR 68 Cb -0.15 -4.38 -0.01 0.00 0.35 0.00 0.00 41.96 37.77 2kk6 s TYR 68 CO 0.08 -1.72 -0.10 0.08 -1.34 0.00 0.00 175.55 172.56 2kk6 s VAL 69 N 4.19 0.77 -1.54 3.14 1.01 -0.25 -4.79 120.40 122.93 2kk6 s VAL 69 Ca 0.28 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2kk6 s VAL 69 Cb -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2kk6 s VAL 69 CO 0.06 0.14 0.08 0.47 0.00 0.00 0.00 175.10 175.86 2kk6 n ASP 70 N 2.65 -5.31 -0.17 3.32 8.00 -1.26 -0.42 116.55 123.36 2kk6 n ASP 70 Ca -0.15 -0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.33 2kk6 n ASP 70 Cb 0.56 -4.42 -0.01 0.00 -0.02 0.00 0.00 41.12 37.23 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 -2.02 -4.71 -4.28 -2.24 3.02 -1.26 -5.00 115.26 98.76 2kk6 n ASN 71 Ca -0.20 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.09 2kk6 n ASN 71 Cb 0.65 -2.40 -0.16 0.00 -0.61 0.00 0.00 39.78 37.26 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 -1.50 2.87 -0.28 3.52 -1.94 0.44 -4.51 119.30 117.90 2kk6 s MET 72 Ca 0.00 -0.84 -0.25 0.00 -1.71 0.00 0.00 55.69 52.88 2kk6 s MET 72 Cb 0.00 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.53 2kk6 s MET 72 CO 0.00 0.30 0.87 0.71 -0.01 0.00 0.00 175.02 176.89 2kk6 s TYR 73 N 0.06 3.24 0.09 -0.03 2.02 0.14 -1.09 117.35 121.79 2kk6 s TYR 73 Ca -0.09 1.04 0.06 0.00 -0.37 0.00 0.00 57.07 57.71 2kk6 s TYR 73 Cb -0.15 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 2kk6 s TYR 73 CO 0.06 -0.54 -0.16 -0.98 -1.57 0.00 0.00 175.55 172.36 2kk6 s ARG 74 N 3.06 0.94 -0.20 -0.62 1.70 -0.62 -1.48 118.95 121.73 2kk6 s ARG 74 Ca 0.36 -1.06 -0.03 0.00 -0.47 0.00 0.00 55.73 54.54 2kk6 s ARG 74 Cb -0.14 -0.99 -0.21 0.00 -0.57 0.00 0.00 34.95 33.03 2kk6 s ARG 74 CO 0.11 0.22 0.04 1.19 -1.08 0.00 0.00 175.30 175.78 2kk6 n PHE 75 N 1.10 0.59 0.13 5.89 3.72 -1.26 -0.33 117.46 127.30 2kk6 n PHE 75 Ca -0.20 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2kk6 n PHE 75 Cb 0.54 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 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 -3.39 0.00 0.00 -1.08 0.00 -1.26 -4.81 120.64 110.10 2kk6 n GLU 76 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.76 2kk6 n GLU 76 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.45 2kk6 n GLU 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kk6 n GLY 77 N 0.71 0.02 3.68 8.31 0.00 -1.26 -5.05 105.19 111.60 2kk6 n GLY 77 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.49 0.45 -4.12 2.61 -1.04 -1.26 -4.93 114.28 103.50 2kk6 n THR 78 Ca 0.00 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 2kk6 n THR 78 Cb 0.00 -2.11 -0.11 0.00 -1.82 0.00 0.00 70.33 66.29 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 3.13 0.67 0.23 3.41 0.00 -1.26 -4.07 107.32 109.43 2kk6 s GLY 79 Ca 0.84 -1.05 0.11 0.00 0.00 0.00 0.00 44.72 44.62 2kk6 s GLY 79 CO 0.40 -1.12 -0.20 -1.36 0.00 0.00 0.00 173.10 170.82 2kk6 s PHE 80 N -2.31 2.14 0.44 1.90 0.40 -0.55 -4.85 117.98 115.15 2kk6 s PHE 80 Ca 0.00 -0.39 0.10 0.00 -0.60 0.00 0.00 56.93 56.04 2kk6 s PHE 80 Cb -0.04 -0.98 0.98 0.00 0.51 0.00 0.00 43.02 43.49 2kk6 s PHE 80 CO -0.01 0.56 2.06 0.77 0.70 0.00 0.00 175.22 179.30 2kk6 h SER 81 N 2.65 0.35 -4.41 1.36 0.02 -1.88 0.40 113.55 112.04 2kk6 h SER 81 Ca -0.41 -0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.09 2kk6 h SER 81 Cb 1.24 -0.08 -0.22 0.00 0.14 0.00 0.00 62.40 63.47 2kk6 h SER 81 CO 0.56 0.25 -0.79 0.20 -1.14 0.00 0.00 176.83 175.91 2kk6 s ASN 82 N -6.67 1.79 0.11 3.07 0.01 -1.26 -4.55 114.94 107.42 2kk6 s ASN 82 Ca -0.07 -0.59 -0.20 0.00 -0.71 0.00 0.00 52.86 51.29 2kk6 s ASN 82 Cb 0.18 -0.08 -0.08 0.00 0.41 0.00 0.00 41.25 41.68 2kk6 s ASN 82 CO 0.72 -0.03 1.70 0.40 -1.51 0.00 0.00 177.10 178.38 2kk6 h ILE 83 N 4.32 1.11 -0.68 0.60 2.04 -1.94 0.49 117.51 123.44 2kk6 h ILE 83 Ca -0.41 -0.29 0.12 0.00 1.00 0.00 0.00 64.86 65.28 2kk6 h ILE 83 Cb 1.19 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 38.13 2kk6 h ILE 83 CO 0.41 0.10 0.25 1.55 0.00 0.00 0.00 178.15 180.46 2kk6 h PRO 84 N 0.21 0.39 -0.55 2.37 0.13 -1.96 -0.98 132.00 131.62 2kk6 h PRO 84 Ca 0.07 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2kk6 h PRO 84 Cb 0.07 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 2kk6 h PRO 84 CO -0.01 0.26 0.16 1.96 -0.23 0.00 0.00 178.00 180.14 2kk6 h GLN 85 N 0.41 0.87 0.24 0.86 1.08 -1.93 0.13 115.11 116.76 2kk6 h GLN 85 Ca 0.36 -0.20 0.01 0.00 -1.45 0.00 0.00 58.65 57.37 2kk6 h GLN 85 Cb 0.51 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2kk6 h GLN 85 CO -0.37 0.80 -0.35 1.25 -0.95 0.00 0.00 178.83 179.21 2kk6 h LEU 86 N 0.77 -0.99 0.08 1.46 5.85 -0.17 0.11 115.31 122.41 2kk6 h LEU 86 Ca 0.18 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2kk6 h LEU 86 Cb 0.30 0.36 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2kk6 h LEU 86 CO -0.00 -0.47 -0.04 0.40 -0.34 0.00 0.00 178.44 177.99 2kk6 h ILE 87 N -0.66 1.16 -0.24 4.05 1.08 -1.19 -2.80 117.51 118.92 2kk6 h ILE 87 Ca 0.00 -0.93 0.04 0.00 -0.39 0.00 0.00 64.86 63.58 2kk6 h ILE 87 Cb 0.64 1.76 -0.04 0.00 -3.07 0.00 0.00 36.82 36.10 2kk6 h ILE 87 CO -0.14 0.23 -0.02 -0.78 -0.69 0.00 0.00 178.15 176.75 2kk6 h ASP 88 N -0.54 -0.14 -0.34 1.72 3.58 -0.76 0.01 116.42 119.96 2kk6 h ASP 88 Ca -0.01 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2kk6 h ASP 88 Cb 0.45 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2kk6 h ASP 88 CO 0.02 -0.04 0.09 -0.74 -2.88 0.00 0.00 179.24 175.69 2kk6 h HIS 89 N 0.05 0.64 -0.62 0.28 2.76 -1.05 0.14 115.15 117.34 2kk6 h HIS 89 Ca 0.11 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 2kk6 h HIS 89 Cb 0.16 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.90 2kk6 h HIS 89 CO -0.21 0.56 0.18 0.45 -1.30 0.00 0.00 177.93 177.61 2kk6 h HIS 90 N 0.61 1.01 -0.24 5.26 3.86 -1.12 -2.21 115.15 122.31 2kk6 h HIS 90 Ca 0.14 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.20 2kk6 h HIS 90 Cb 0.25 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2kk6 h HIS 90 CO 0.01 0.83 -0.01 -0.92 0.86 0.00 0.00 177.93 178.70 2kk6 h TYR 91 N 0.89 0.48 -0.51 2.45 3.20 0.22 0.11 116.97 123.81 2kk6 h TYR 91 Ca 0.20 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 2kk6 h TYR 91 Cb 0.31 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2kk6 h TYR 91 CO 0.02 0.62 -0.08 1.79 -1.64 0.00 0.00 178.16 178.87 2kk6 h THR 92 N 0.20 1.27 0.00 1.81 1.35 -0.82 -2.70 112.91 114.02 2kk6 h THR 92 Ca 0.07 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 2kk6 h THR 92 Cb 0.43 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 2kk6 h THR 92 CO 0.01 0.42 0.00 0.35 -0.25 0.00 0.00 175.52 176.06 2kk6 n THR 93 N -4.23 0.55 -2.20 6.82 -2.24 -0.83 -4.92 114.28 107.23 2kk6 n THR 93 Ca 0.01 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 2kk6 n THR 93 Cb 0.37 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.20 -1.44 -3.37 -0.78 3.00 0.34 -4.99 118.16 108.73 2kk6 n LYS 94 Ca 0.06 0.94 -0.24 0.00 -0.00 0.00 0.00 58.31 59.07 2kk6 n LYS 94 Cb 0.42 -5.43 -0.01 0.00 0.00 0.00 0.00 35.03 30.01 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 -4.67 3.49 0.67 1.64 -1.52 -0.86 -4.88 119.66 113.52 2kk6 s GLN 95 Ca 0.00 -0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 52.96 2kk6 s GLN 95 Cb 0.00 -2.66 0.00 0.00 -0.22 0.00 0.00 33.01 30.13 2kk6 s GLN 95 CO 0.00 0.15 1.09 0.14 -0.25 0.00 0.00 175.29 176.42 2kk6 s VAL 96 N -2.31 3.43 0.00 1.09 -7.23 -1.26 -4.29 120.40 109.83 2kk6 s VAL 96 Ca 0.40 0.61 -0.21 0.00 -1.81 0.00 0.00 61.98 60.98 2kk6 s VAL 96 Cb -0.10 -3.15 -0.12 0.00 0.56 0.00 0.00 36.38 33.58 2kk6 s VAL 96 CO 0.36 -0.46 0.96 0.40 -0.31 0.00 0.00 175.10 176.05 2kk6 h ILE 97 N -0.15 0.00 -3.96 -0.62 1.08 -1.33 -3.47 117.51 109.06 2kk6 h ILE 97 Ca -0.46 -0.30 -0.36 0.00 -0.39 0.00 0.00 64.86 63.35 2kk6 h ILE 97 Cb 1.24 0.00 -0.21 0.00 -3.07 0.00 0.00 36.82 34.77 2kk6 h ILE 97 CO 0.54 0.00 -0.76 0.42 -0.69 0.00 0.00 178.15 177.66 2kk6 s THR 98 N -4.10 0.88 -0.21 -0.27 -4.23 -1.26 -4.89 115.64 101.56 2kk6 s THR 98 Ca -0.11 -1.21 0.29 0.00 -1.18 0.00 0.00 61.69 59.48 2kk6 s THR 98 Cb 0.01 -0.88 0.33 0.00 1.34 0.00 0.00 72.50 73.30 2kk6 s THR 98 CO 0.33 -0.29 1.84 0.11 -0.54 0.00 0.00 174.62 176.08 2kk6 h LYS 99 N 4.38 0.00 0.00 3.99 6.56 -1.98 0.48 116.57 130.00 2kk6 h LYS 99 Ca -0.39 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.20 2kk6 h LYS 99 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2kk6 h LYS 99 CO 0.40 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.42 2kk6 n LYS 100 N -2.72 0.22 0.02 3.15 5.02 -1.26 -4.25 118.16 118.34 2kk6 n LYS 100 Ca 0.02 0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 56.67 2kk6 n LYS 100 Cb 0.30 -1.87 -0.00 0.00 -0.02 0.00 0.00 35.03 33.44 2kk6 n LYS 100 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2kk6 n SER 101 N -2.28 0.62 0.00 4.39 3.41 -0.88 -5.06 113.62 113.82 2kk6 n SER 101 Ca 0.03 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2kk6 n SER 101 Cb 0.29 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2kk6 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kk6 n GLY 102 N 3.14 0.66 3.77 5.00 0.00 0.11 -5.05 105.19 112.82 2kk6 n GLY 102 Ca -0.02 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 5.33 0.18 1.61 1.01 -1.26 -4.95 120.40 120.33 2kk6 s VAL 103 Ca 0.00 0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2kk6 s VAL 103 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2kk6 s VAL 103 CO 0.00 0.47 0.14 -0.69 0.00 0.00 0.00 175.10 175.02 2kk6 s VAL 104 N -0.04 4.41 -0.21 2.92 1.01 -1.26 -0.79 120.40 126.44 2kk6 s VAL 104 Ca 0.15 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 2kk6 s VAL 104 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2kk6 s VAL 104 CO 0.04 -0.16 0.34 -0.76 0.00 0.00 0.00 175.10 174.55 2kk6 s LEU 105 N -3.25 4.15 0.08 3.92 1.43 -1.26 -4.85 118.68 118.89 2kk6 s LEU 105 Ca 0.31 0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2kk6 s LEU 105 Cb -0.09 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2kk6 s LEU 105 CO 0.23 -0.04 0.07 -1.48 0.23 0.00 0.00 176.35 175.36 2kk6 s LEU 106 N 1.22 1.98 -0.00 1.79 2.34 -1.24 -4.67 118.68 120.10 2kk6 s LEU 106 Ca 0.16 -0.93 -0.00 0.00 0.06 0.00 0.00 54.13 53.42 2kk6 s LEU 106 Cb -0.14 0.51 0.00 0.00 -0.56 0.00 0.00 46.19 46.00 2kk6 s LEU 106 CO 0.07 -0.68 0.00 -0.46 -1.06 0.00 0.00 176.35 174.23 2kk6 n ASN 107 N 0.01 -4.22 -4.74 1.48 2.04 -1.26 -4.30 115.26 104.27 2kk6 n ASN 107 Ca -0.13 0.26 -0.41 0.00 -0.44 0.00 0.00 54.58 53.86 2kk6 n ASN 107 Cb 0.62 -1.01 -0.03 0.00 -2.53 0.00 0.00 39.78 36.83 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 -0.65 4.38 -0.19 -0.53 0.04 -1.26 -4.39 135.00 132.41 2kk6 s PRO 108 Ca 0.00 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2kk6 s PRO 108 Cb -0.00 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.36 2kk6 s PRO 108 CO 0.00 -0.25 1.07 0.42 0.04 0.00 0.00 177.00 178.28 2kk6 s ILE 109 N 0.02 4.62 0.52 0.56 -1.09 -1.24 -4.88 121.20 119.71 2kk6 s ILE 109 Ca 0.56 1.94 -0.21 0.00 -2.23 0.00 0.00 60.65 60.71 2kk6 s ILE 109 Cb -0.37 -4.25 -0.07 0.00 -1.58 0.00 0.00 42.46 36.19 2kk6 s ILE 109 CO 0.39 -0.13 1.01 -2.65 -1.23 0.00 0.00 174.94 172.34 2kk6 n PRO 110 N 6.03 1.18 -3.50 2.79 -0.02 -1.26 -3.99 135.00 136.23 2kk6 n PRO 110 Ca 0.12 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 2kk6 n PRO 110 Cb 0.46 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 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 -2.42 3.91 -0.41 -0.52 0.00 -1.05 -4.97 119.74 114.28 2kk6 s LYS 111 Ca 0.69 0.40 -0.16 0.00 0.00 0.00 0.00 55.97 56.90 2kk6 s LYS 111 Cb -0.47 -3.19 0.02 0.00 0.00 0.00 0.00 37.83 34.18 2kk6 s LYS 111 CO 0.52 0.67 0.38 -0.51 0.00 0.00 0.00 175.35 176.41 2kk6 s ASP 112 N -1.17 6.16 -0.24 0.03 1.11 -1.26 -4.95 116.67 116.35 2kk6 s ASP 112 Ca 0.25 -0.68 0.05 0.00 0.18 0.00 0.00 52.55 52.35 2kk6 s ASP 112 Cb -0.16 -2.20 0.45 0.00 1.07 0.00 0.00 42.92 42.08 2kk6 s ASP 112 CO 0.14 -0.50 1.49 2.29 1.18 0.00 0.00 175.17 179.77 2kk6 n LYS 113 N 5.43 2.33 -2.01 8.23 0.00 -1.26 -4.95 118.16 125.93 2kk6 n LYS 113 Ca -0.09 -1.93 -0.42 0.00 -0.00 0.00 0.00 58.31 55.87 2kk6 n LYS 113 Cb 0.48 -1.82 -0.03 0.00 -0.00 0.00 0.00 35.03 33.66 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 -2.09 4.20 -0.02 -1.58 1.02 -1.26 -4.92 119.74 115.08 2kk6 s LYS 114 Ca 0.35 2.20 -0.24 0.00 0.02 0.00 0.00 55.97 58.31 2kk6 s LYS 114 Cb 0.29 -3.86 -0.20 0.00 -0.52 0.00 0.00 37.83 33.54 2kk6 s LYS 114 CO 0.08 -0.79 1.18 -1.49 -0.92 0.00 0.00 175.35 173.40 2kk6 h TRP 115 N 9.09 0.24 0.00 3.18 4.06 -2.07 -3.55 115.95 126.90 2kk6 h TRP 115 Ca -0.40 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.45 2kk6 h TRP 115 Cb 1.18 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 2kk6 h TRP 115 CO 0.85 0.77 0.00 -0.89 -3.56 0.00 0.00 178.44 175.61