#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz9 s ILE 4 N 0.00 4.12 0.23 2.46 1.01 -1.26 -5.00 121.20 122.76 3kz9 s ILE 4 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.83 3kz9 s ILE 4 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.43 3kz9 s ILE 4 CO 0.00 0.02 1.22 0.00 0.00 0.00 0.00 174.94 176.18 3kz9 s ALA 5 N 2.01 3.46 0.36 9.38 0.00 -1.26 -5.02 121.76 130.69 3kz9 s ALA 5 Ca 0.58 1.03 -0.26 0.00 0.00 0.00 0.00 51.96 53.30 3kz9 s ALA 5 Cb -0.27 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3kz9 s ALA 5 CO 0.24 -0.41 1.12 0.15 0.00 0.00 0.00 175.76 176.86 3kz9 s LYS 6 N -0.71 4.29 0.16 0.00 1.02 -1.26 -4.94 119.74 118.31 3kz9 s LYS 6 Ca 0.51 1.76 -0.28 0.00 0.02 0.00 0.00 55.97 57.98 3kz9 s LYS 6 Cb -0.35 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.06 3kz9 s LYS 6 CO 0.41 -0.09 0.88 1.03 -0.92 0.00 0.00 175.35 176.66 3kz9 s ARG 7 N -2.04 4.70 0.60 1.68 1.81 0.19 -5.02 118.95 120.87 3kz9 s ARG 7 Ca 0.53 1.34 -0.19 0.00 -1.72 0.00 0.00 55.73 55.69 3kz9 s ARG 7 Cb -0.29 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 3kz9 s ARG 7 CO 0.37 0.43 1.13 -2.30 -0.68 0.00 0.00 175.30 174.24 3kz9 n PRO 8 N 2.01 1.09 -2.45 3.54 -0.02 -1.26 -4.47 135.00 133.44 3kz9 n PRO 8 Ca -0.02 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 3kz9 n PRO 8 Cb 0.48 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3kz9 n PRO 8 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kz9 s ARG 9 N -2.95 4.55 0.20 -0.52 0.52 -1.26 -4.98 118.95 114.51 3kz9 s ARG 9 Ca 0.77 1.80 -0.16 0.00 -0.52 0.00 0.00 55.73 57.61 3kz9 s ARG 9 Cb -0.41 -3.25 0.02 0.00 0.52 0.00 0.00 34.95 31.83 3kz9 s ARG 9 CO 0.45 0.01 0.51 -0.08 0.02 0.00 0.00 175.30 176.21 3kz9 s THR 10 N -0.22 0.03 -0.10 0.02 -1.32 -1.26 -5.15 115.64 107.63 3kz9 s THR 10 Ca 0.51 -0.92 -0.13 0.00 -1.21 0.00 0.00 61.69 59.93 3kz9 s THR 10 Cb -0.31 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.94 3kz9 s THR 10 CO 0.36 -0.12 0.32 -0.60 -2.21 0.00 0.00 174.62 172.38 3kz9 s ARG 11 N -3.90 4.03 0.09 7.08 3.52 -1.26 -5.09 118.95 123.41 3kz9 s ARG 11 Ca 0.11 0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 3kz9 s ARG 11 Cb -0.01 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 3kz9 s ARG 11 CO -0.01 0.46 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.31 3kz9 s LEU 12 N -0.24 2.34 0.77 -0.88 1.43 -1.26 -5.07 118.68 115.77 3kz9 s LEU 12 Ca 0.19 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 3kz9 s LEU 12 Cb -0.14 -0.44 0.06 0.00 0.03 0.00 0.00 46.19 45.70 3kz9 s LEU 12 CO 0.07 -0.15 1.10 -0.94 0.23 0.00 0.00 176.35 176.66 3kz9 s SER 13 N -2.08 4.45 0.24 2.29 1.04 -1.26 -4.67 113.70 113.70 3kz9 s SER 13 Ca 0.02 1.89 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 3kz9 s SER 13 Cb -0.07 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 63.95 3kz9 s SER 13 CO 0.02 -2.07 1.66 -0.65 0.98 0.00 0.00 173.24 173.17 3kz9 h PRO 14 N -1.01 0.15 -0.14 4.02 0.11 -2.01 0.37 132.00 133.51 3kz9 h PRO 14 Ca -0.44 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3kz9 h PRO 14 Cb 1.24 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3kz9 h PRO 14 CO 0.51 0.10 -0.24 1.25 -0.21 0.00 0.00 178.00 179.41 3kz9 h LEU 15 N 0.16 -0.74 -0.75 2.35 5.85 -2.00 -1.22 115.31 118.96 3kz9 h LEU 15 Ca 0.40 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 59.11 3kz9 h LEU 15 Cb 0.70 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kz9 h LEU 15 CO -0.59 -0.29 -0.51 0.11 -0.34 0.00 0.00 178.44 176.82 3kz9 h LYS 16 N -0.30 0.28 -0.01 1.25 1.79 -1.68 -2.33 116.57 115.57 3kz9 h LYS 16 Ca 0.10 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3kz9 h LYS 16 Cb 0.45 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3kz9 h LYS 16 CO -0.31 0.73 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.70 3kz9 h ARG 17 N 0.22 0.02 -0.69 3.15 9.65 -0.15 0.01 114.38 126.58 3kz9 h ARG 17 Ca 0.01 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.96 3kz9 h ARG 17 Cb 0.98 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.49 3kz9 h ARG 17 CO 0.08 0.38 0.36 -0.22 2.80 0.00 0.00 179.97 183.37 3kz9 h LYS 18 N -0.34 0.61 -0.51 0.20 1.63 -1.21 -0.18 116.57 116.78 3kz9 h LYS 18 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3kz9 h LYS 18 Cb 0.37 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 3kz9 h LYS 18 CO 0.00 0.41 0.32 0.37 -3.45 0.00 0.00 179.45 177.10 3kz9 h GLN 19 N 0.63 0.68 -0.22 1.90 4.15 -1.31 -2.85 115.11 118.10 3kz9 h GLN 19 Ca 0.33 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.73 3kz9 h GLN 19 Cb 0.30 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3kz9 h GLN 19 CO -0.24 0.48 0.03 0.37 -1.93 0.00 0.00 178.83 177.54 3kz9 h GLN 20 N 0.68 0.11 -1.68 1.69 4.15 -0.21 -1.81 115.11 118.04 3kz9 h GLN 20 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3kz9 h GLN 20 Cb -0.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3kz9 h GLN 20 CO -0.04 0.07 0.00 1.28 -1.93 0.00 0.00 178.83 178.22 3kz9 n LEU 21 N -5.10 1.31 0.00 -2.39 4.77 -0.15 -1.62 117.00 113.82 3kz9 n LEU 21 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3kz9 n LEU 21 Cb 0.10 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3kz9 n LEU 21 CO 0.27 0.23 0.00 -0.62 -1.33 0.00 0.00 177.39 175.94 3kz9 n GLU 23 N 0.98 0.00 -0.08 3.23 1.02 -0.68 -1.61 120.64 123.50 3kz9 n GLU 23 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3kz9 n GLU 23 Cb 0.19 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.56 3kz9 n GLU 23 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3kz9 h ILE 24 N 0.00 1.28 -0.51 -3.67 2.04 -1.58 -1.91 117.51 113.16 3kz9 h ILE 24 Ca 0.00 -1.04 0.08 0.00 1.00 0.00 0.00 64.86 64.90 3kz9 h ILE 24 Cb 0.00 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3kz9 h ILE 24 CO 0.00 0.32 0.16 0.00 0.00 0.00 0.00 178.15 178.63 3kz9 h ALA 25 N 0.75 0.62 -0.73 1.87 0.00 -1.57 0.24 119.26 120.44 3kz9 h ALA 25 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3kz9 h ALA 25 Cb 0.50 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 3kz9 h ALA 25 CO 0.02 -0.24 0.43 -0.07 0.00 0.00 0.00 179.25 179.39 3kz9 h LEU 26 N 0.32 0.68 -0.57 0.00 3.38 -1.80 0.14 115.31 117.45 3kz9 h LEU 26 Ca 0.25 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 3kz9 h LEU 26 Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kz9 h LEU 26 CO -0.28 0.45 0.19 -0.08 0.09 0.00 0.00 178.44 178.81 3kz9 h GLU 27 N 0.81 0.88 0.16 1.13 4.81 -0.64 0.45 114.58 122.18 3kz9 h GLU 27 Ca 0.31 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kz9 h GLU 27 Cb 0.13 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kz9 h GLU 27 CO -0.16 0.79 -0.07 0.28 -0.73 0.00 0.00 179.01 179.12 3kz9 h VAL 28 N 0.79 0.90 -0.50 0.32 2.07 -0.11 -0.19 116.25 119.53 3kz9 h VAL 28 Ca 0.18 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3kz9 h VAL 28 Cb 0.27 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3kz9 h VAL 28 CO -0.01 0.05 0.16 -0.26 0.02 0.00 0.00 177.57 177.54 3kz9 h PHE 29 N -0.30 0.73 -0.42 1.57 -1.00 -0.70 0.18 116.94 117.00 3kz9 h PHE 29 Ca -0.02 -0.05 -0.13 0.00 2.81 0.00 0.00 57.97 60.58 3kz9 h PHE 29 Cb 0.24 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 3kz9 h PHE 29 CO -0.04 0.60 -0.26 0.00 -1.61 0.00 0.00 178.31 177.00 3kz9 h ALA 30 N 1.47 0.74 0.22 2.45 0.00 -0.73 -0.05 119.26 123.36 3kz9 h ALA 30 Ca 0.17 -0.40 -0.34 0.00 0.00 0.00 0.00 54.91 54.33 3kz9 h ALA 30 Cb 0.20 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.86 3kz9 h ALA 30 CO -0.01 0.66 -1.60 -0.09 0.00 0.00 0.00 179.25 178.21 3kz9 h ARG 31 N 0.76 0.47 0.00 0.00 2.43 -0.84 -3.41 114.38 113.79 3kz9 h ARG 31 Ca 0.09 -0.80 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 3kz9 h ARG 31 Cb 0.82 0.30 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3kz9 h ARG 31 CO 0.07 1.38 -1.21 0.54 -1.51 0.00 0.00 179.97 179.24 3kz9 n ARG 32 N -3.65 1.32 0.00 0.20 1.74 0.62 -5.09 116.66 111.80 3kz9 n ARG 32 Ca -0.20 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 3kz9 n ARG 32 Cb 1.09 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.29 3kz9 n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kz9 n GLY 33 N 1.56 2.75 3.72 -0.13 0.00 -0.03 -4.75 105.19 108.31 3kz9 n GLY 33 Ca -0.00 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3kz9 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kz9 s ILE 34 N -2.61 2.04 -1.40 -0.61 -1.09 -1.25 -1.61 121.20 114.67 3kz9 s ILE 34 Ca 0.00 0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 3kz9 s ILE 34 Cb 0.00 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3kz9 s ILE 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3kz9 n GLY 35 N 3.90 1.26 0.10 6.18 0.00 -1.26 -4.82 105.19 110.54 3kz9 n GLY 35 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3kz9 n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kz9 h ARG 36 N 0.00 0.00 -6.57 1.61 2.47 -1.60 -3.45 114.38 106.85 3kz9 h ARG 36 Ca -0.27 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 57.97 3kz9 h ARG 36 Cb 1.23 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.56 3kz9 h ARG 36 CO 0.40 0.29 -0.15 0.20 0.56 0.00 0.00 179.97 181.26 3kz9 s GLY 37 N -4.72 1.38 0.00 0.04 0.00 -1.26 -5.01 107.32 97.75 3kz9 s GLY 37 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3kz9 s GLY 37 CO 0.80 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.74 3kz9 n GLY 38 N -1.81 4.74 0.33 0.20 0.00 -1.26 -5.01 105.19 102.38 3kz9 n GLY 38 Ca -0.04 -1.47 0.04 0.00 0.00 0.00 0.00 46.02 44.56 3kz9 n GLY 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kz9 h HIS 39 N 0.30 0.98 -0.78 1.61 3.86 -1.98 -2.28 115.15 116.86 3kz9 h HIS 39 Ca 0.00 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3kz9 h HIS 39 Cb 0.00 -0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.13 3kz9 h HIS 39 CO 0.00 0.40 0.47 0.00 0.86 0.00 0.00 177.93 179.66 3kz9 h ALA 40 N 1.49 1.00 -0.37 2.45 0.00 -1.95 -0.03 119.26 121.84 3kz9 h ALA 40 Ca 0.44 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 3kz9 h ALA 40 Cb 0.40 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kz9 h ALA 40 CO -0.25 0.47 -0.34 -0.44 0.00 0.00 0.00 179.25 178.69 3kz9 h ASP 41 N 1.07 0.94 -0.30 0.00 5.19 -1.85 -1.74 116.42 119.74 3kz9 h ASP 41 Ca 0.28 -0.46 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 3kz9 h ASP 41 Cb -0.03 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3kz9 h ASP 41 CO -0.05 1.21 0.02 0.40 -3.12 0.00 0.00 179.24 177.70 3kz9 h ILE 42 N 0.69 1.25 -0.71 0.35 2.04 -1.19 -2.17 117.51 117.77 3kz9 h ILE 42 Ca 0.06 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3kz9 h ILE 42 Cb 0.93 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 3kz9 h ILE 42 CO 0.09 0.29 0.43 0.00 0.00 0.00 0.00 178.15 178.95 3kz9 h ALA 43 N 0.86 0.94 -0.65 1.87 0.00 -0.92 0.90 119.26 122.25 3kz9 h ALA 43 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kz9 h ALA 43 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3kz9 h ALA 43 CO 0.01 0.16 0.30 1.49 0.00 0.00 0.00 179.25 181.21 3kz9 h GLU 44 N 0.81 0.95 0.04 0.00 4.81 -1.27 0.15 114.58 120.07 3kz9 h GLU 44 Ca 0.30 -0.15 -0.25 0.00 -0.13 0.00 0.00 59.36 59.13 3kz9 h GLU 44 Cb 0.10 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.32 3kz9 h GLU 44 CO -0.14 0.77 -1.04 0.82 -0.73 0.00 0.00 179.01 178.68 3kz9 h ILE 45 N 0.90 1.38 0.00 2.32 2.04 -0.97 -3.21 117.51 119.97 3kz9 h ILE 45 Ca 0.22 -2.50 -0.01 0.00 1.00 0.00 0.00 64.86 63.58 3kz9 h ILE 45 Cb 0.14 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3kz9 h ILE 45 CO -0.03 0.75 -0.04 0.00 0.00 0.00 0.00 178.15 178.83 3kz9 h ALA 46 N 0.60 0.99 -5.78 1.87 0.00 -0.72 0.55 119.26 116.77 3kz9 h ALA 46 Ca -0.11 -0.04 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 3kz9 h ALA 46 Cb 1.70 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 19.63 3kz9 h ALA 46 CO 0.19 0.05 -0.72 1.04 0.00 0.00 0.00 179.25 179.81 3kz9 n GLN 47 N -3.13 -7.38 -4.59 0.00 6.02 0.44 -4.63 117.38 104.12 3kz9 n GLN 47 Ca 0.02 0.83 -0.27 0.00 -0.01 0.00 0.00 57.00 57.57 3kz9 n GLN 47 Cb 0.41 -5.87 -0.11 0.00 1.02 0.00 0.00 30.24 25.70 3kz9 n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kz9 s VAL 48 N -3.34 1.74 0.58 5.09 -7.23 -0.64 -4.90 120.40 111.69 3kz9 s VAL 48 Ca 0.35 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.36 3kz9 s VAL 48 Cb -0.15 -2.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 3kz9 s VAL 48 CO 0.73 0.00 1.04 -0.94 -0.31 0.00 0.00 175.10 175.62 3kz9 s SER 49 N -3.66 5.99 0.31 4.85 1.04 -1.26 -4.37 113.70 116.59 3kz9 s SER 49 Ca 0.34 1.74 0.03 0.00 0.48 0.00 0.00 55.95 58.54 3kz9 s SER 49 Cb 0.09 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.30 3kz9 s SER 49 CO 0.17 -1.03 1.88 0.58 0.98 0.00 0.00 173.24 175.81 3kz9 h VAL 50 N 0.50 0.96 -0.52 5.02 2.07 -1.91 -2.41 116.25 119.96 3kz9 h VAL 50 Ca -0.47 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 66.82 3kz9 h VAL 50 Cb 1.21 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3kz9 h VAL 50 CO 0.58 0.17 0.15 0.00 0.02 0.00 0.00 177.57 178.49 3kz9 h ALA 51 N 1.54 0.62 -0.30 1.67 0.00 -1.97 -1.33 119.26 119.48 3kz9 h ALA 51 Ca 0.44 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.46 3kz9 h ALA 51 Cb 0.43 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3kz9 h ALA 51 CO -0.20 -0.26 0.14 1.15 0.00 0.00 0.00 179.25 180.07 3kz9 h THR 52 N 0.30 0.97 -0.66 0.00 2.02 -1.81 -2.11 112.91 111.62 3kz9 h THR 52 Ca 0.26 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.41 3kz9 h THR 52 Cb 0.32 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 3kz9 h THR 52 CO -0.30 0.05 0.35 0.58 0.37 0.00 0.00 175.52 176.57 3kz9 h VAL 53 N 0.29 0.92 0.00 3.16 2.07 -1.21 -2.34 116.25 119.15 3kz9 h VAL 53 Ca 0.13 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3kz9 h VAL 53 Cb 0.06 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3kz9 h VAL 53 CO -0.10 0.11 -0.17 -0.26 0.02 0.00 0.00 177.57 177.17 3kz9 h PHE 54 N 0.63 0.00 -0.77 1.57 0.04 -0.68 -1.59 116.94 116.14 3kz9 h PHE 54 Ca 0.31 0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.19 3kz9 h PHE 54 Cb 0.24 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.32 3kz9 h PHE 54 CO -0.09 0.17 0.40 -0.91 -0.60 0.00 0.00 178.31 177.27 3kz9 h ASN 55 N 0.00 0.51 0.83 2.17 2.35 -0.82 -2.09 115.58 118.53 3kz9 h ASN 55 Ca -0.00 0.07 -0.24 0.00 -0.55 0.00 0.00 56.30 55.58 3kz9 h ASN 55 Cb 0.31 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3kz9 h ASN 55 CO 0.02 0.27 -1.23 1.88 -1.65 0.00 0.00 177.43 176.72 3kz9 h TYR 56 N 0.63 0.02 -2.63 1.19 0.05 -1.36 -3.41 116.97 111.47 3kz9 h TYR 56 Ca 0.39 -0.01 -0.60 0.00 0.05 0.00 0.00 58.73 58.56 3kz9 h TYR 56 Cb 0.46 -0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.81 3kz9 h TYR 56 CO -0.10 1.01 -0.84 -0.06 -1.05 0.00 0.00 178.16 177.13 3kz9 s PHE 57 N -2.67 1.84 0.57 4.88 0.08 -0.73 -5.01 117.98 116.94 3kz9 s PHE 57 Ca -0.01 -2.59 0.27 0.00 0.12 0.00 0.00 56.93 54.73 3kz9 s PHE 57 Cb 0.09 -1.50 1.51 0.00 -0.57 0.00 0.00 43.02 42.56 3kz9 s PHE 57 CO 0.82 -0.74 2.01 -1.35 -0.10 0.00 0.00 175.22 175.86 3kz9 h PRO 58 N 5.73 0.00 -5.06 0.24 0.11 -1.62 -3.40 132.00 127.99 3kz9 h PRO 58 Ca 0.20 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.87 3kz9 h PRO 58 Cb 0.87 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.84 3kz9 h PRO 58 CO 0.47 0.00 -0.59 0.95 -0.21 0.00 0.00 178.00 178.62 3kz9 s THR 59 N -4.76 0.81 0.08 -1.15 -4.23 -1.26 -5.00 115.64 100.14 3kz9 s THR 59 Ca -0.05 -2.00 -0.27 0.00 -1.18 0.00 0.00 61.69 58.20 3kz9 s THR 59 Cb 0.17 -2.65 -0.16 0.00 1.34 0.00 0.00 72.50 71.20 3kz9 s THR 59 CO 0.61 0.00 1.69 -0.09 -0.54 0.00 0.00 174.62 176.29 3kz9 h ARG 60 N 2.16 -0.34 -0.86 3.99 1.12 -2.01 -2.77 114.38 115.68 3kz9 h ARG 60 Ca -0.38 0.02 0.15 0.00 -1.11 0.00 0.00 59.98 58.66 3kz9 h ARG 60 Cb 1.25 0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 31.22 3kz9 h ARG 60 CO 0.63 -0.23 0.56 0.93 -3.11 0.00 0.00 179.97 178.75 3kz9 h GLU 61 N -0.35 0.58 -0.27 0.20 3.07 -1.96 -1.99 114.58 113.86 3kz9 h GLU 61 Ca -0.03 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 3kz9 h GLU 61 Cb 0.28 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3kz9 h GLU 61 CO 0.04 0.39 0.17 -0.44 -1.40 0.00 0.00 179.01 177.77 3kz9 h ASP 62 N 0.60 0.28 0.22 1.42 3.32 -1.85 -0.83 116.42 119.59 3kz9 h ASP 62 Ca 0.43 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 3kz9 h ASP 62 Cb 0.78 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3kz9 h ASP 62 CO -0.18 0.21 -0.11 0.25 -1.72 0.00 0.00 179.24 177.69 3kz9 h LEU 63 N 0.35 -0.25 -0.54 1.55 5.85 -1.20 -0.08 115.31 120.99 3kz9 h LEU 63 Ca 0.10 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3kz9 h LEU 63 Cb -0.02 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3kz9 h LEU 63 CO -0.04 -0.06 0.31 0.58 -0.34 0.00 0.00 178.44 178.89 3kz9 h VAL 64 N -0.44 1.03 -0.23 1.05 2.07 -1.42 -0.54 116.25 117.77 3kz9 h VAL 64 Ca -0.03 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kz9 h VAL 64 Cb 0.33 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3kz9 h VAL 64 CO 0.05 0.11 0.13 0.44 0.02 0.00 0.00 177.57 178.32 3kz9 h ASP 65 N 0.62 0.28 -0.35 0.57 3.32 -1.08 -0.77 116.42 119.02 3kz9 h ASP 65 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3kz9 h ASP 65 Cb 0.05 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3kz9 h ASP 65 CO -0.11 0.27 0.18 -0.33 -1.72 0.00 0.00 179.24 177.53 3kz9 h GLU 66 N 0.27 0.49 -0.78 3.56 5.08 -0.65 -0.36 114.58 122.19 3kz9 h GLU 66 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kz9 h GLU 66 Cb 0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3kz9 h GLU 66 CO -0.01 0.43 0.52 0.28 -1.00 0.00 0.00 179.01 179.22 3kz9 h VAL 67 N 0.43 1.20 -0.15 3.13 2.07 -0.97 -1.30 116.25 120.66 3kz9 h VAL 67 Ca 0.12 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kz9 h VAL 67 Cb 0.09 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3kz9 h VAL 67 CO -0.02 0.20 0.02 0.25 0.02 0.00 0.00 177.57 178.04 3kz9 h LEU 68 N 1.06 0.25 -0.50 2.57 5.85 -0.97 -2.13 115.31 121.44 3kz9 h LEU 68 Ca 0.29 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3kz9 h LEU 68 Cb -0.12 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 3kz9 h LEU 68 CO -0.06 0.46 0.11 0.78 -0.34 0.00 0.00 178.44 179.39 3kz9 h ASN 69 N 0.03 0.02 0.13 1.25 2.35 -0.99 -1.45 115.58 116.91 3kz9 h ASN 69 Ca 0.05 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3kz9 h ASN 69 Cb 0.32 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3kz9 h ASN 69 CO 0.00 0.04 -0.12 -0.74 -1.65 0.00 0.00 177.43 174.96 3kz9 h HIS 70 N 0.25 -0.32 -0.25 1.19 2.76 -1.04 -1.29 115.15 116.45 3kz9 h HIS 70 Ca 0.25 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.30 3kz9 h HIS 70 Cb 0.33 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 3kz9 h HIS 70 CO -0.22 -0.19 -0.37 -0.39 -1.30 0.00 0.00 177.93 175.46 3kz9 h VAL 71 N -0.28 1.29 -0.26 5.26 -1.51 -1.24 -0.43 116.25 119.09 3kz9 h VAL 71 Ca 0.00 -1.51 0.02 0.00 -1.23 0.00 0.00 66.70 63.97 3kz9 h VAL 71 Cb 0.26 1.51 -0.02 0.00 -2.13 0.00 0.00 31.29 30.91 3kz9 h VAL 71 CO -0.03 0.48 0.13 0.58 -1.23 0.00 0.00 177.57 177.50 3kz9 h VAL 72 N 0.47 1.00 -0.87 7.19 2.07 -1.22 -0.54 116.25 124.35 3kz9 h VAL 72 Ca 0.05 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3kz9 h VAL 72 Cb 0.86 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3kz9 h VAL 72 CO 0.07 0.05 0.47 0.03 0.02 0.00 0.00 177.57 178.22 3kz9 h ARG 73 N 0.28 1.22 -0.53 1.57 3.08 -0.97 -1.58 114.38 117.46 3kz9 h ARG 73 Ca 0.11 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 3kz9 h ARG 73 Cb 0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3kz9 h ARG 73 CO -0.07 0.89 0.00 1.96 -1.07 0.00 0.00 179.97 181.69 3kz9 h GLN 74 N 1.22 0.93 -0.51 0.04 1.08 -0.82 -1.86 115.11 115.18 3kz9 h GLN 74 Ca 0.31 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 57.13 3kz9 h GLN 74 Cb 0.03 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 3kz9 h GLN 74 CO -0.05 0.94 -0.02 0.35 -0.95 0.00 0.00 178.83 179.11 3kz9 h PHE 75 N 0.80 0.95 -0.43 2.96 3.57 -0.86 -1.40 116.94 122.53 3kz9 h PHE 75 Ca 0.15 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3kz9 h PHE 75 Cb 0.52 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3kz9 h PHE 75 CO 0.04 0.87 0.25 1.03 -2.23 0.00 0.00 178.31 178.27 3kz9 h SER 76 N 0.81 0.53 -0.38 0.41 0.87 -1.21 -1.14 113.55 113.45 3kz9 h SER 76 Ca 0.15 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3kz9 h SER 76 Cb 0.51 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3kz9 h SER 76 CO 0.03 0.44 0.19 0.78 -0.53 0.00 0.00 176.83 177.74 3kz9 h ASN 77 N 0.57 0.49 -0.58 6.23 2.35 -1.18 -2.72 115.58 120.73 3kz9 h ASN 77 Ca 0.15 -0.12 0.08 0.00 -0.55 0.00 0.00 56.30 55.86 3kz9 h ASN 77 Cb 0.02 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 38.20 3kz9 h ASN 77 CO -0.03 0.47 0.25 0.15 -1.65 0.00 0.00 177.43 176.62 3kz9 h PHE 78 N 0.48 0.44 -0.49 1.19 3.57 -1.00 -0.06 116.94 121.07 3kz9 h PHE 78 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3kz9 h PHE 78 Cb 0.10 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3kz9 h PHE 78 CO -0.02 0.15 0.26 -0.07 -2.23 0.00 0.00 178.31 176.40 3kz9 h LEU 79 N 0.46 0.63 -0.41 0.59 3.38 -1.17 -2.67 115.31 116.11 3kz9 h LEU 79 Ca 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3kz9 h LEU 79 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kz9 h LEU 79 CO -0.25 0.55 0.13 0.28 0.09 0.00 0.00 178.44 179.24 3kz9 h SER 80 N 0.65 0.59 -0.05 -0.43 0.02 -1.13 -2.14 113.55 111.06 3kz9 h SER 80 Ca 0.17 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3kz9 h SER 80 Cb 0.08 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 3kz9 h SER 80 CO -0.03 0.63 0.15 0.44 -1.14 0.00 0.00 176.83 176.88 3kz9 h ASP 81 N 0.51 0.00 0.00 3.07 3.45 -0.77 -3.11 116.42 119.57 3kz9 h ASP 81 Ca 0.13 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3kz9 h ASP 81 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3kz9 h ASP 81 CO -0.01 0.00 -0.00 0.59 -1.57 0.00 0.00 179.24 178.25 3kz9 n ASN 82 N -3.28 1.81 -4.60 6.45 3.02 -0.97 -4.98 115.26 112.71 3kz9 n ASN 82 Ca -0.01 -1.93 -0.34 0.00 -0.03 0.00 0.00 54.58 52.26 3kz9 n ASN 82 Cb 0.22 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 3kz9 n ASN 82 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kz9 s ILE 83 N -0.95 4.12 -0.21 2.41 1.01 -0.84 -4.27 121.20 122.47 3kz9 s ILE 83 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 3kz9 s ILE 83 Cb 0.01 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.77 3kz9 s ILE 83 CO 0.00 0.55 0.02 -0.62 0.00 0.00 0.00 174.94 174.89 3kz9 s ASP 84 N -0.29 3.16 0.24 3.58 -1.08 -1.26 -4.97 116.67 116.04 3kz9 s ASP 84 Ca 0.06 -0.93 0.22 0.00 -0.52 0.00 0.00 52.55 51.37 3kz9 s ASP 84 Cb -0.12 -0.73 0.95 0.00 -1.46 0.00 0.00 42.92 41.56 3kz9 s ASP 84 CO 0.02 -0.30 1.66 0.18 0.52 0.00 0.00 175.17 177.25 3kz9 n LEU 85 N 4.96 0.56 0.01 -1.34 4.77 -1.26 -1.83 117.00 122.88 3kz9 n LEU 85 Ca -0.09 0.66 0.13 0.00 -0.03 0.00 0.00 56.01 56.68 3kz9 n LEU 85 Cb 0.46 -0.62 0.47 0.00 -2.33 0.00 0.00 43.42 41.40 3kz9 n LEU 85 CO 0.14 -0.61 0.77 0.47 -1.33 0.00 0.00 177.39 176.83 3kz9 n ASP 86 N -2.15 0.26 -4.92 -1.43 8.00 -1.26 -4.86 116.55 110.19 3kz9 n ASP 86 Ca 0.01 0.26 -0.27 0.00 0.71 0.00 0.00 54.79 55.51 3kz9 n ASP 86 Cb 0.18 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 3kz9 n ASP 86 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kz9 s LEU 87 N -3.20 4.08 0.52 0.64 1.43 -0.76 -5.09 118.68 116.30 3kz9 s LEU 87 Ca 0.12 0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 53.56 3kz9 s LEU 87 Cb 0.18 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 3kz9 s LEU 87 CO 0.60 -0.19 1.31 -2.28 0.23 0.00 0.00 176.35 176.01 3kz9 s HIS 88 N -2.11 2.43 0.33 0.29 5.65 -1.26 -4.79 115.29 115.83 3kz9 s HIS 88 Ca 0.41 1.41 0.11 0.00 0.25 0.00 0.00 55.06 57.25 3kz9 s HIS 88 Cb -0.10 -3.70 0.99 0.00 -1.18 0.00 0.00 32.58 28.58 3kz9 s HIS 88 CO 0.32 -2.55 1.66 0.00 -0.65 0.00 0.00 174.74 173.51 3kz9 h ALA 89 N 1.62 1.77 -0.48 1.58 0.00 -1.94 -1.16 119.26 120.64 3kz9 h ALA 89 Ca -0.50 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3kz9 h ALA 89 Cb 1.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 3kz9 h ALA 89 CO 0.58 -0.54 0.18 -0.22 0.00 0.00 0.00 179.25 179.25 3kz9 h LYS 90 N 0.29 0.73 -0.44 0.00 3.64 -1.92 -0.59 116.57 118.29 3kz9 h LYS 90 Ca 0.69 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.86 3kz9 h LYS 90 Cb 1.52 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3kz9 h LYS 90 CO -0.62 0.66 0.02 1.49 -2.27 0.00 0.00 179.45 178.73 3kz9 h GLU 91 N 0.64 0.77 -0.42 1.90 4.81 -1.68 -1.71 114.58 118.89 3kz9 h GLU 91 Ca 0.16 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3kz9 h GLU 91 Cb 0.21 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3kz9 h GLU 91 CO -0.01 0.82 0.25 -0.91 -0.73 0.00 0.00 179.01 178.44 3kz9 h ASN 92 N 0.61 0.42 -0.42 1.04 -0.26 -1.05 -1.62 115.58 114.30 3kz9 h ASN 92 Ca 0.13 -0.00 0.06 0.00 -0.56 0.00 0.00 56.30 55.93 3kz9 h ASN 92 Cb 0.47 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.58 3kz9 h ASN 92 CO 0.02 0.30 0.10 0.40 -1.06 0.00 0.00 177.43 177.19 3kz9 h ILE 93 N 0.51 0.80 -0.14 2.81 2.04 -0.97 -0.35 117.51 122.21 3kz9 h ILE 93 Ca 0.16 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.98 3kz9 h ILE 93 Cb -0.01 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3kz9 h ILE 93 CO -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 178.15 178.06 3kz9 h ALA 94 N 1.31 0.05 -0.47 1.87 0.00 -1.11 -1.28 119.26 119.62 3kz9 h ALA 94 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3kz9 h ALA 94 Cb 0.24 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kz9 h ALA 94 CO -0.25 -0.52 0.22 -0.91 0.00 0.00 0.00 179.25 177.79 3kz9 h ASN 95 N -0.06 0.62 -0.09 0.00 2.35 -1.05 0.37 115.58 117.72 3kz9 h ASN 95 Ca 0.08 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3kz9 h ASN 95 Cb 0.18 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3kz9 h ASN 95 CO -0.18 0.58 0.06 0.40 -1.65 0.00 0.00 177.43 176.64 3kz9 h ILE 96 N 0.62 1.02 -0.19 2.81 2.04 -0.95 -1.42 117.51 121.44 3kz9 h ILE 96 Ca 0.16 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 66.01 3kz9 h ILE 96 Cb 0.13 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3kz9 h ILE 96 CO -0.02 0.02 0.02 0.74 0.00 0.00 0.00 178.15 178.92 3kz9 h THR 97 N 0.12 0.90 -0.13 -0.27 2.02 -1.01 -2.95 112.91 111.59 3kz9 h THR 97 Ca 0.04 -0.03 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3kz9 h THR 97 Cb -0.01 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3kz9 h THR 97 CO -0.01 0.02 -0.48 0.78 0.37 0.00 0.00 175.52 176.19 3kz9 h ASN 98 N 0.10 0.36 0.00 4.18 -0.26 -0.88 -1.98 115.58 117.09 3kz9 h ASN 98 Ca 0.09 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3kz9 h ASN 98 Cb 0.09 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 3kz9 h ASN 98 CO -0.13 0.79 0.00 0.00 -1.06 0.00 0.00 177.43 177.03 3kz9 n ALA 99 N -2.48 1.86 0.00 -0.83 0.00 -0.54 -1.94 120.51 116.58 3kz9 n ALA 99 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kz9 n ALA 99 Cb 0.54 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3kz9 n ALA 99 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kz9 n ILE 101 N 0.85 0.00 -0.29 0.00 2.08 -0.75 -2.27 119.36 118.98 3kz9 n ILE 101 Ca 0.00 0.00 0.07 0.00 0.56 0.00 0.00 62.75 63.38 3kz9 n ILE 101 Cb 0.18 0.00 0.23 0.00 -0.75 0.00 0.00 39.64 39.29 3kz9 n ILE 101 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3kz9 h GLU 102 N 0.00 0.54 -0.45 0.38 4.57 -1.68 0.77 114.58 118.71 3kz9 h GLU 102 Ca 0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 3kz9 h GLU 102 Cb 0.00 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 3kz9 h GLU 102 CO 0.00 0.36 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.03 3kz9 h LEU 103 N 0.55 0.78 -0.22 1.64 3.38 -1.75 -1.46 115.31 118.24 3kz9 h LEU 103 Ca 0.46 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3kz9 h LEU 103 Cb 0.70 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3kz9 h LEU 103 CO -0.39 0.90 -0.14 0.58 0.09 0.00 0.00 178.44 179.47 3kz9 h VAL 104 N 0.73 1.31 -0.79 1.22 2.07 -1.56 -1.70 116.25 117.53 3kz9 h VAL 104 Ca 0.13 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3kz9 h VAL 104 Cb 0.56 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 3kz9 h VAL 104 CO 0.03 0.38 0.33 0.58 0.02 0.00 0.00 177.57 178.92 3kz9 h VAL 105 N 0.19 1.26 0.00 2.57 2.07 -0.83 -2.04 116.25 119.47 3kz9 h VAL 105 Ca 0.05 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kz9 h VAL 105 Cb 0.66 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kz9 h VAL 105 CO 0.04 0.33 0.00 1.67 0.02 0.00 0.00 177.57 179.63 3kz9 n GLN 106 N -4.30 0.93 -2.70 1.57 7.27 -0.56 -4.95 117.38 114.64 3kz9 n GLN 106 Ca 0.07 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.05 3kz9 n GLN 106 Cb 0.17 -1.50 0.05 0.00 2.41 0.00 0.00 30.24 31.37 3kz9 n GLN 106 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3kz9 n ASP 107 N -1.00 -2.46 -4.59 1.69 4.64 -0.67 -4.98 116.55 109.19 3kz9 n ASP 107 Ca 0.22 -0.34 -0.43 0.00 -1.38 0.00 0.00 54.79 52.87 3kz9 n ASP 107 Cb 0.10 -2.97 -0.02 0.00 -1.04 0.00 0.00 41.12 37.18 3kz9 n ASP 107 CO 0.00 0.00 0.00 0.20 -0.82 0.00 0.00 177.20 176.58 3kz9 s ASN 108 N -3.63 6.60 0.36 1.67 0.01 -1.04 -4.90 114.94 113.99 3kz9 s ASN 108 Ca 0.04 0.37 0.05 0.00 -0.71 0.00 0.00 52.86 52.61 3kz9 s ASN 108 Cb -0.01 -2.53 0.70 0.00 0.41 0.00 0.00 41.25 39.83 3kz9 s ASN 108 CO 0.39 -1.21 1.97 0.45 -1.51 0.00 0.00 177.10 177.19 3kz9 h HIS 109 N 9.21 0.79 -0.74 2.20 3.86 -1.93 -2.21 115.15 126.33 3kz9 h HIS 109 Ca -0.23 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3kz9 h HIS 109 Cb 1.06 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 3kz9 h HIS 109 CO 0.95 0.44 0.49 0.11 0.86 0.00 0.00 177.93 180.78 3kz9 h TRP 110 N 0.80 0.88 -0.07 2.45 5.08 -1.90 -0.96 115.95 122.22 3kz9 h TRP 110 Ca 0.29 0.02 -0.16 0.00 1.08 0.00 0.00 58.89 60.12 3kz9 h TRP 110 Cb 0.15 -0.30 0.01 0.00 -3.00 0.00 0.00 29.16 26.03 3kz9 h TRP 110 CO -0.00 0.52 -0.58 1.25 -1.28 0.00 0.00 178.44 178.35 3kz9 h LEU 111 N 0.92 0.63 -0.39 0.11 5.85 -1.79 0.30 115.31 120.95 3kz9 h LEU 111 Ca 0.29 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.38 3kz9 h LEU 111 Cb 0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3kz9 h LEU 111 CO -0.08 1.22 0.10 0.50 -0.34 0.00 0.00 178.44 179.84 3kz9 h LYS 112 N 0.10 0.23 -0.08 1.25 3.64 -1.28 0.12 116.57 120.54 3kz9 h LYS 112 Ca -0.05 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3kz9 h LYS 112 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3kz9 h LYS 112 CO 0.12 0.15 0.01 0.28 -2.27 0.00 0.00 179.45 177.74 3kz9 h VAL 113 N 0.24 0.96 -0.33 2.00 2.07 -1.07 -0.26 116.25 119.86 3kz9 h VAL 113 Ca 0.18 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3kz9 h VAL 113 Cb 0.20 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3kz9 h VAL 113 CO -0.22 0.01 0.12 -0.25 0.02 0.00 0.00 177.57 177.25 3kz9 h TRP 114 N 0.05 0.23 -0.23 1.57 7.01 -0.66 0.90 115.95 124.81 3kz9 h TRP 114 Ca 0.04 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.01 3kz9 h TRP 114 Cb 0.03 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3kz9 h TRP 114 CO -0.11 0.10 -0.01 0.74 -2.79 0.00 0.00 178.44 176.37 3kz9 h PHE 115 N 0.27 0.46 -0.42 2.65 0.04 -0.62 -0.32 116.94 119.01 3kz9 h PHE 115 Ca 0.15 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 3kz9 h PHE 115 Cb 0.11 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 3kz9 h PHE 115 CO -0.13 0.61 -0.02 0.93 -0.60 0.00 0.00 178.31 179.10 3kz9 h GLU 116 N 0.19 0.70 -0.65 1.51 4.39 -0.94 -2.12 114.58 117.66 3kz9 h GLU 116 Ca 0.06 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3kz9 h GLU 116 Cb 0.43 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3kz9 h GLU 116 CO 0.01 0.73 0.06 2.35 -1.16 0.00 0.00 179.01 181.01 3kz9 h TRP 117 N 0.65 1.18 0.00 4.33 2.91 -0.67 -2.76 115.95 121.59 3kz9 h TRP 117 Ca 0.13 -0.18 -0.01 0.00 1.13 0.00 0.00 58.89 59.96 3kz9 h TRP 117 Cb 0.44 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.77 3kz9 h TRP 117 CO 0.02 1.00 -0.04 0.66 -1.03 0.00 0.00 178.44 179.05 3kz9 h SER 118 N 1.01 0.00 -0.53 2.65 4.64 -0.49 -2.66 113.55 118.16 3kz9 h SER 118 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3kz9 h SER 118 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kz9 h SER 118 CO 0.02 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 3kz9 n ALA 119 N -2.36 2.41 -1.77 5.18 0.00 -0.85 -5.01 120.51 118.12 3kz9 n ALA 119 Ca -0.03 -1.05 -0.40 0.00 0.00 0.00 0.00 53.44 51.97 3kz9 n ALA 119 Cb 0.13 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3kz9 n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kz9 s SER 120 N -1.20 6.84 0.00 0.00 0.15 -1.01 -4.94 113.70 113.54 3kz9 s SER 120 Ca 0.41 2.42 0.10 0.00 0.70 0.00 0.00 55.95 59.58 3kz9 s SER 120 Cb 0.22 -2.63 0.20 0.00 -1.71 0.00 0.00 66.02 62.11 3kz9 s SER 120 CO 0.30 -0.46 1.08 0.35 1.20 0.00 0.00 173.24 175.71 3kz9 n THR 121 N 0.65 0.62 -3.13 6.45 -2.24 -1.26 -4.65 114.28 110.72 3kz9 n THR 121 Ca 0.01 -0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 60.58 3kz9 n THR 121 Cb 0.45 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3kz9 n THR 121 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kz9 s ARG 122 N -0.94 4.28 0.65 -0.78 0.52 -1.26 -4.95 118.95 116.46 3kz9 s ARG 122 Ca 0.18 0.65 0.36 0.00 -0.52 0.00 0.00 55.73 56.39 3kz9 s ARG 122 Cb 0.10 -3.53 1.97 0.00 0.52 0.00 0.00 34.95 34.01 3kz9 s ARG 122 CO 0.14 -0.11 2.16 -0.44 0.02 0.00 0.00 175.30 177.06 3kz9 h ASP 123 N 7.20 0.00 -0.10 0.23 3.32 -2.01 0.58 116.42 125.64 3kz9 h ASP 123 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3kz9 h ASP 123 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3kz9 h ASP 123 CO 0.77 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 176.45 3kz9 n GLU 124 N -3.23 2.07 0.01 3.56 0.00 -1.26 -4.45 120.64 117.35 3kz9 n GLU 124 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 57.16 55.57 3kz9 n GLU 124 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.21 3kz9 n GLU 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3kz9 n VAL 125 N 0.87 0.17 0.04 3.84 0.31 0.11 -4.84 118.33 118.82 3kz9 n VAL 125 Ca 0.17 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3kz9 n VAL 125 Cb 0.49 -1.29 0.31 0.00 -0.91 0.00 0.00 33.84 32.44 3kz9 n VAL 125 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 3kz9 h TRP 126 N 0.00 0.45 -0.35 3.52 5.08 -1.55 -3.02 115.95 120.08 3kz9 h TRP 126 Ca 0.00 -0.05 -0.05 0.00 1.08 0.00 0.00 58.89 59.87 3kz9 h TRP 126 Cb 0.63 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 26.65 3kz9 h TRP 126 CO 0.00 0.51 0.02 -1.35 -1.28 0.00 0.00 178.44 176.34 3kz9 h PRO 127 N 0.41 0.53 0.11 0.12 0.11 -1.83 -1.66 132.00 129.79 3kz9 h PRO 127 Ca 0.08 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.10 3kz9 h PRO 127 Cb 0.40 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3kz9 h PRO 127 CO 0.02 0.54 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.07 3kz9 h LEU 128 N 0.51 -0.58 -0.51 2.35 4.07 -1.85 -1.42 115.31 117.87 3kz9 h LEU 128 Ca 0.11 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.16 3kz9 h LEU 128 Cb 0.30 0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.23 3kz9 h LEU 128 CO 0.01 -0.29 0.32 0.15 -1.08 0.00 0.00 178.44 177.54 3kz9 h PHE 129 N -0.40 0.60 -0.48 1.13 3.57 -1.45 -0.23 116.94 119.68 3kz9 h PHE 129 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3kz9 h PHE 129 Cb 0.41 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3kz9 h PHE 129 CO -0.20 0.36 -0.09 0.28 -2.23 0.00 0.00 178.31 176.43 3kz9 h VAL 130 N 0.64 1.26 0.41 1.41 2.07 -1.14 0.32 116.25 121.23 3kz9 h VAL 130 Ca 0.20 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3kz9 h VAL 130 Cb -0.02 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3kz9 h VAL 130 CO -0.07 0.41 -0.20 0.74 0.02 0.00 0.00 177.57 178.47 3kz9 h THR 131 N 0.79 0.56 -0.14 2.57 2.02 -1.04 -3.13 112.91 114.54 3kz9 h THR 131 Ca 0.13 -0.39 -0.17 0.00 0.77 0.00 0.00 66.41 66.75 3kz9 h THR 131 Cb 0.61 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3kz9 h THR 131 CO 0.04 0.07 -0.63 0.74 0.37 0.00 0.00 175.52 176.11 3kz9 h THR 132 N -0.79 1.34 0.00 3.16 2.02 -0.90 -2.96 112.91 114.78 3kz9 h THR 132 Ca -0.06 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.19 3kz9 h THR 132 Cb 0.54 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3kz9 h THR 132 CO 0.09 0.59 0.00 -3.20 0.37 0.00 0.00 175.52 173.38 3kz9 n ASN 133 N -3.91 0.00 -0.32 4.18 5.15 0.11 -4.02 115.26 116.45 3kz9 n ASN 133 Ca -0.04 -0.76 0.11 0.00 -0.60 0.00 0.00 54.58 53.29 3kz9 n ASN 133 Cb 0.65 -0.01 0.34 0.00 -0.53 0.00 0.00 39.78 40.23 3kz9 n ASN 133 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3kz9 h ARG 134 N 0.00 0.75 -0.89 1.20 2.43 -1.46 0.87 114.38 117.29 3kz9 h ARG 134 Ca 0.00 -0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.33 3kz9 h ARG 134 Cb 0.00 -0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.27 3kz9 h ARG 134 CO 0.00 0.50 0.42 0.00 -1.51 0.00 0.00 179.97 179.37 3kz9 h THR 135 N 0.78 0.55 0.10 0.20 1.03 -1.84 0.92 112.91 114.65 3kz9 h THR 135 Ca 0.50 -0.16 -0.28 0.00 -0.01 0.00 0.00 66.41 66.45 3kz9 h THR 135 Cb 0.74 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.85 3kz9 h THR 135 CO -0.26 0.09 -1.39 0.78 -0.01 0.00 0.00 175.52 174.72 3kz9 h ASN 136 N 0.47 0.34 -0.07 0.00 -0.26 -1.16 -2.26 115.58 112.64 3kz9 h ASN 136 Ca 0.54 -0.43 0.02 0.00 -0.56 0.00 0.00 56.30 55.87 3kz9 h ASN 136 Cb 0.96 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 38.09 3kz9 h ASN 136 CO -0.48 1.35 -0.07 -0.61 -1.06 0.00 0.00 177.43 176.56 3kz9 h GLN 137 N 0.06 -0.09 -0.43 0.81 5.75 -1.00 -2.07 115.11 118.14 3kz9 h GLN 137 Ca -0.19 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.38 3kz9 h GLN 137 Cb 1.98 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 30.50 3kz9 h GLN 137 CO 0.17 -0.06 0.14 1.25 -2.65 0.00 0.00 178.83 177.68 3kz9 h LEU 138 N -0.09 0.14 -0.58 -2.39 5.85 -0.83 -0.89 115.31 116.51 3kz9 h LEU 138 Ca 0.06 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3kz9 h LEU 138 Cb 0.17 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3kz9 h LEU 138 CO -0.13 0.11 0.35 0.25 -0.34 0.00 0.00 178.44 178.68 3kz9 h LEU 139 N 0.31 0.55 -0.10 2.25 6.46 -1.17 0.30 115.31 123.91 3kz9 h LEU 139 Ca 0.20 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.81 3kz9 h LEU 139 Cb 0.21 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3kz9 h LEU 139 CO -0.22 0.38 -0.59 0.58 -0.62 0.00 0.00 178.44 177.98 3kz9 h VAL 140 N 0.68 1.35 -0.75 1.05 2.07 -1.21 -3.19 116.25 116.25 3kz9 h VAL 140 Ca 0.24 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3kz9 h VAL 140 Cb 0.05 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 3kz9 h VAL 140 CO -0.11 0.57 0.49 1.56 0.02 0.00 0.00 177.57 180.10 3kz9 h GLN 141 N 0.18 0.97 -1.85 1.57 4.20 -0.99 -2.08 115.11 117.11 3kz9 h GLN 141 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3kz9 h GLN 141 Cb 1.24 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.80 3kz9 h GLN 141 CO 0.12 0.64 0.00 0.09 -0.67 0.00 0.00 178.83 179.01 3kz9 n ASN 142 N -4.58 0.86 0.00 1.46 3.02 0.08 -0.52 115.26 115.59 3kz9 n ASN 142 Ca 0.07 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3kz9 n ASN 142 Cb 0.03 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3kz9 n ASN 142 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kz9 n PHE 144 N 1.22 0.00 -0.09 3.10 3.72 -0.78 -1.17 117.46 123.46 3kz9 n PHE 144 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3kz9 n PHE 144 Cb 0.11 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3kz9 n PHE 144 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3kz9 h ILE 145 N 0.00 0.88 -0.90 4.37 2.04 -1.08 -0.45 117.51 122.37 3kz9 h ILE 145 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3kz9 h ILE 145 Cb 0.00 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3kz9 h ILE 145 CO 0.00 0.04 0.57 0.11 0.00 0.00 0.00 178.15 178.87 3kz9 h LYS 146 N 0.23 1.20 -0.78 2.37 1.79 -1.41 -0.67 116.57 119.29 3kz9 h LYS 146 Ca 0.15 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3kz9 h LYS 146 Cb 0.14 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 3kz9 h LYS 146 CO -0.17 0.82 0.46 0.00 -1.08 0.00 0.00 179.45 179.48 3kz9 h ALA 147 N 1.31 1.00 -0.34 3.86 0.00 -1.69 -1.35 119.26 122.05 3kz9 h ALA 147 Ca 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kz9 h ALA 147 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 3kz9 h ALA 147 CO -0.07 0.48 0.20 0.82 0.00 0.00 0.00 179.25 180.68 3kz9 h ILE 148 N 1.08 1.13 -0.68 0.00 2.04 -0.78 -0.46 117.51 119.83 3kz9 h ILE 148 Ca 0.28 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3kz9 h ILE 148 Cb -0.02 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3kz9 h ILE 148 CO -0.05 0.13 0.45 -0.33 0.00 0.00 0.00 178.15 178.35 3kz9 h GLU 149 N 0.44 0.89 0.00 2.37 5.08 -0.56 -1.93 114.58 120.87 3kz9 h GLU 149 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kz9 h GLU 149 Cb 0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3kz9 h GLU 149 CO -0.02 0.59 0.00 0.54 -1.00 0.00 0.00 179.01 179.12 3kz9 n ARG 150 N -4.43 0.94 -1.25 2.33 1.74 -0.56 -4.91 116.66 110.52 3kz9 n ARG 150 Ca 0.07 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.07 3kz9 n ARG 150 Cb 0.04 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3kz9 n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kz9 n GLY 151 N 0.79 0.97 0.07 -0.13 0.00 -0.73 -4.93 105.19 101.24 3kz9 n GLY 151 Ca 0.18 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3kz9 n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kz9 h GLU 152 N 0.13 0.00 -6.34 1.61 5.08 -1.31 -3.40 114.58 110.35 3kz9 h GLU 152 Ca -0.17 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.50 3kz9 h GLU 152 Cb 0.75 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.70 3kz9 h GLU 152 CO 0.25 0.70 -0.88 0.08 -1.00 0.00 0.00 179.01 178.16 3kz9 s VAL 153 N -2.68 2.00 0.26 3.13 1.01 -1.06 -2.09 120.40 120.97 3kz9 s VAL 153 Ca -0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 3kz9 s VAL 153 Cb 0.09 -1.67 -0.11 0.00 0.00 0.00 0.00 36.38 34.69 3kz9 s VAL 153 CO 0.82 0.56 1.58 0.00 0.00 0.00 0.00 175.10 178.06 3kz9 n ASP 155 N 2.66 0.00 -0.09 0.00 5.75 -1.26 -2.81 116.55 120.80 3kz9 n ASP 155 Ca 0.10 0.34 0.18 0.00 -0.01 0.00 0.00 54.79 55.40 3kz9 n ASP 155 Cb 0.38 -0.43 0.59 0.00 -1.03 0.00 0.00 41.12 40.63 3kz9 n ASP 155 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 3kz9 h GLN 156 N 0.00 0.22 -5.58 0.11 4.15 -1.98 -3.44 115.11 108.59 3kz9 h GLN 156 Ca 0.00 -0.01 -0.59 0.00 0.77 0.00 0.00 58.65 58.82 3kz9 h GLN 156 Cb 0.28 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.83 3kz9 h GLN 156 CO 0.00 0.14 -0.22 -1.01 -1.93 0.00 0.00 178.83 175.81 3kz9 s HIS 157 N -5.22 3.47 0.16 3.99 3.76 -1.12 -5.05 115.29 115.27 3kz9 s HIS 157 Ca -0.07 0.72 -0.31 0.00 -0.15 0.00 0.00 55.06 55.26 3kz9 s HIS 157 Cb 0.20 -2.47 -0.09 0.00 1.11 0.00 0.00 32.58 31.33 3kz9 s HIS 157 CO 0.75 0.16 1.49 1.21 -0.85 0.00 0.00 174.74 177.50 3kz9 s ASN 158 N 0.65 6.68 0.33 1.40 3.84 -1.26 -4.91 114.94 121.66 3kz9 s ASN 158 Ca 0.21 2.52 0.07 0.00 0.21 0.00 0.00 52.86 55.87 3kz9 s ASN 158 Cb -0.14 -2.60 0.74 0.00 -0.55 0.00 0.00 41.25 38.71 3kz9 s ASN 158 CO 0.07 -0.75 1.84 -0.65 -2.79 0.00 0.00 177.10 174.83 3kz9 h PRO 159 N 6.55 0.75 -0.55 0.43 0.11 -1.96 0.07 132.00 137.40 3kz9 h PRO 159 Ca -0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3kz9 h PRO 159 Cb 1.21 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3kz9 h PRO 159 CO 0.88 0.50 0.20 1.49 -0.21 0.00 0.00 178.00 180.85 3kz9 h GLU 160 N 0.78 0.84 -0.43 1.05 4.81 -1.91 -0.15 114.58 119.57 3kz9 h GLU 160 Ca 0.49 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.41 3kz9 h GLU 160 Cb 0.71 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3kz9 h GLU 160 CO -0.25 0.75 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.07 3kz9 h ASP 161 N 0.76 0.98 -0.39 1.04 3.32 -1.81 0.27 116.42 120.59 3kz9 h ASP 161 Ca 0.18 -0.42 0.05 0.00 0.02 0.00 0.00 57.03 56.86 3kz9 h ASP 161 Cb 0.24 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 3kz9 h ASP 161 CO -0.01 1.19 0.10 -0.07 -1.72 0.00 0.00 179.24 178.73 3kz9 h LEU 162 N 0.77 0.07 -0.64 1.55 3.38 -0.84 -1.16 115.31 118.44 3kz9 h LEU 162 Ca 0.09 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kz9 h LEU 162 Cb 0.85 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3kz9 h LEU 162 CO 0.07 0.07 -0.16 0.00 0.09 0.00 0.00 178.44 178.52 3kz9 h ALA 163 N 1.27 0.84 -0.21 1.53 0.00 -0.82 -2.37 119.26 119.50 3kz9 h ALA 163 Ca 0.18 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3kz9 h ALA 163 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kz9 h ALA 163 CO -0.22 0.65 -0.57 -0.91 0.00 0.00 0.00 179.25 178.20 3kz9 h ASN 164 N 0.80 0.74 -0.13 0.00 2.35 -0.76 -1.57 115.58 117.00 3kz9 h ASN 164 Ca 0.12 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 3kz9 h ASN 164 Cb 0.69 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3kz9 h ASN 164 CO 0.05 1.15 0.05 0.25 -1.65 0.00 0.00 177.43 177.28 3kz9 h LEU 165 N 0.50 0.18 -0.49 1.61 5.85 -1.22 -1.40 115.31 120.34 3kz9 h LEU 165 Ca 0.01 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kz9 h LEU 165 Cb 1.14 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3kz9 h LEU 165 CO 0.11 0.29 0.23 0.15 -0.34 0.00 0.00 178.44 178.88 3kz9 h PHE 166 N 0.05 0.41 -0.64 1.25 3.57 -1.40 -0.83 116.94 119.36 3kz9 h PHE 166 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3kz9 h PHE 166 Cb 0.17 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3kz9 h PHE 166 CO -0.02 0.19 0.41 1.25 -2.23 0.00 0.00 178.31 177.92 3kz9 h HIS 167 N 0.45 0.78 -0.83 0.41 2.76 -1.20 -1.28 115.15 116.23 3kz9 h HIS 167 Ca 0.22 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 3kz9 h HIS 167 Cb 0.16 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 3kz9 h HIS 167 CO -0.12 0.48 0.51 0.78 -1.30 0.00 0.00 177.93 178.28 3kz9 h GLY 168 N 0.84 1.25 0.78 5.26 0.00 -0.59 0.32 103.07 110.93 3kz9 h GLY 168 Ca 0.24 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3kz9 h GLY 168 CO -0.07 0.26 -0.00 -2.22 0.00 0.00 0.00 176.54 174.51 3kz9 h ILE 169 N 0.94 1.17 -0.71 2.60 2.04 -0.97 -1.58 117.51 121.00 3kz9 h ILE 169 Ca 0.36 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3kz9 h ILE 169 Cb 0.16 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3kz9 h ILE 169 CO -0.17 0.13 0.44 0.00 0.00 0.00 0.00 178.15 178.55 3kz9 h TYR 171 N 0.84 0.77 -0.27 0.00 3.20 -0.24 0.25 116.97 121.52 3kz9 h TYR 171 Ca 0.29 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 3kz9 h TYR 171 Cb 0.06 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3kz9 h TYR 171 CO -0.05 0.55 0.10 1.03 -1.64 0.00 0.00 178.16 178.16 3kz9 h SER 172 N 0.76 0.38 -0.96 -2.11 0.87 -1.00 -1.46 113.55 110.03 3kz9 h SER 172 Ca 0.20 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3kz9 h SER 172 Cb 0.03 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 3kz9 h SER 172 CO -0.03 0.46 0.63 -0.07 -0.53 0.00 0.00 176.83 177.28 3kz9 h LEU 173 N 0.28 1.04 -0.28 2.23 3.38 -0.82 -2.44 115.31 118.71 3kz9 h LEU 173 Ca 0.09 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kz9 h LEU 173 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3kz9 h LEU 173 CO -0.01 0.71 0.09 0.15 0.09 0.00 0.00 178.44 179.48 3kz9 h PHE 174 N 1.21 0.15 -0.16 1.13 3.57 0.06 -0.25 116.94 122.65 3kz9 h PHE 174 Ca 0.38 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.93 3kz9 h PHE 174 Cb 0.01 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3kz9 h PHE 174 CO -0.01 0.06 -0.05 0.28 -2.23 0.00 0.00 178.31 176.37 3kz9 h VAL 175 N 0.21 0.82 -0.56 1.41 2.07 -1.08 -2.48 116.25 116.62 3kz9 h VAL 175 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3kz9 h VAL 175 Cb 0.10 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3kz9 h VAL 175 CO -0.14 0.00 0.27 1.56 0.02 0.00 0.00 177.57 179.28 3kz9 h GLN 176 N -0.01 0.79 0.00 1.57 7.50 -1.19 -2.57 115.11 121.20 3kz9 h GLN 176 Ca 0.08 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.13 3kz9 h GLN 176 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.51 3kz9 h GLN 176 CO -0.17 0.62 0.00 0.00 -1.50 0.00 0.00 178.83 177.77 3kz9 h ALA 177 N 1.51 1.00 0.00 3.87 0.00 -0.68 -1.47 119.26 123.49 3kz9 h ALA 177 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kz9 h ALA 177 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kz9 h ALA 177 CO -0.03 0.00 -0.17 0.09 0.00 0.00 0.00 179.25 179.14 3kz9 n ASN 178 N -2.44 0.28 -0.02 0.00 4.13 -0.97 -4.06 115.26 112.18 3kz9 n ASN 178 Ca 0.03 0.29 0.08 0.00 1.68 0.00 0.00 54.58 56.67 3kz9 n ASN 178 Cb 0.33 -0.30 -0.09 0.00 -1.54 0.00 0.00 39.78 38.18 3kz9 n ASN 178 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kz9 n ARG 179 N -1.64 1.26 -3.75 3.52 1.74 -0.56 -4.98 116.66 112.25 3kz9 n ARG 179 Ca 0.06 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 3kz9 n ARG 179 Cb 0.36 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.38 3kz9 n ARG 179 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3kz9 s THR 180 N -2.61 0.04 -0.63 0.55 -1.32 -1.14 -5.03 115.64 105.49 3kz9 s THR 180 Ca 0.07 -0.34 0.18 0.00 -1.21 0.00 0.00 61.69 60.39 3kz9 s THR 180 Cb 0.13 -0.59 -0.22 0.00 -1.51 0.00 0.00 72.50 70.31 3kz9 s THR 180 CO 0.70 -0.19 0.67 -3.20 -2.21 0.00 0.00 174.62 170.39 3kz9 n ASN 181 N 1.70 0.83 -4.49 8.08 2.85 -1.26 -4.74 115.26 118.22 3kz9 n ASN 181 Ca -0.19 -0.68 -0.44 0.00 -0.11 0.00 0.00 54.58 53.15 3kz9 n ASN 181 Cb 0.56 1.22 -0.07 0.00 1.24 0.00 0.00 39.78 42.73 3kz9 n ASN 181 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3kz9 n ASN 182 N -1.61 1.94 0.08 1.20 2.85 -1.26 -4.80 115.26 113.66 3kz9 n ASN 182 Ca 0.02 0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 3kz9 n ASN 182 Cb 0.33 -1.32 0.31 0.00 1.24 0.00 0.00 39.78 40.35 3kz9 n ASN 182 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3kz9 h THR 183 N 7.43 1.22 -0.12 -0.44 2.02 -2.00 -2.65 112.91 118.37 3kz9 h THR 183 Ca -0.23 -1.02 -0.16 0.00 0.77 0.00 0.00 66.41 65.77 3kz9 h THR 183 Cb 1.30 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3kz9 h THR 183 CO 1.12 0.32 -0.53 0.00 0.37 0.00 0.00 175.52 176.80 3kz9 h ALA 184 N 1.52 0.23 -0.74 6.16 0.00 -2.00 -2.61 119.26 121.81 3kz9 h ALA 184 Ca 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 3kz9 h ALA 184 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kz9 h ALA 184 CO 0.03 0.43 0.29 0.93 0.00 0.00 0.00 179.25 180.93 3kz9 h GLU 185 N 0.20 1.12 -0.37 0.00 5.08 -1.94 -2.51 114.58 116.17 3kz9 h GLU 185 Ca -0.03 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 3kz9 h GLU 185 Cb 1.17 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3kz9 h GLU 185 CO 0.11 0.92 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.78 3kz9 h LEU 186 N 1.08 0.80 -0.87 1.33 3.38 -1.46 0.21 115.31 119.79 3kz9 h LEU 186 Ca 0.25 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3kz9 h LEU 186 Cb 0.23 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3kz9 h LEU 186 CO -0.02 1.03 0.56 0.28 0.09 0.00 0.00 178.44 180.39 3kz9 h SER 187 N 0.56 0.94 -0.50 -0.43 0.02 -1.47 0.13 113.55 112.81 3kz9 h SER 187 Ca 0.08 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3kz9 h SER 187 Cb 0.74 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3kz9 h SER 187 CO 0.06 0.66 0.24 0.50 -1.14 0.00 0.00 176.83 177.15 3kz9 h LYS 188 N 1.11 0.71 -0.23 3.45 3.64 -0.98 -1.73 116.57 122.54 3kz9 h LYS 188 Ca 0.34 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3kz9 h LYS 188 Cb -0.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3kz9 h LYS 188 CO -0.10 0.59 0.13 1.25 -2.27 0.00 0.00 179.45 179.05 3kz9 h LEU 189 N 0.66 0.22 -0.31 5.20 5.85 -0.47 -0.18 115.31 126.27 3kz9 h LEU 189 Ca 0.17 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3kz9 h LEU 189 Cb 0.11 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3kz9 h LEU 189 CO -0.02 0.16 0.13 0.58 -0.34 0.00 0.00 178.44 178.95 3kz9 h VAL 190 N 0.28 0.94 -0.49 1.05 2.07 -0.69 -1.67 116.25 117.74 3kz9 h VAL 190 Ca 0.09 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3kz9 h VAL 190 Cb -0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kz9 h VAL 190 CO -0.04 0.05 0.29 0.28 0.02 0.00 0.00 177.57 178.18 3kz9 h SER 191 N 0.28 0.48 -0.73 0.57 0.02 -1.14 -0.81 113.55 112.21 3kz9 h SER 191 Ca 0.14 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3kz9 h SER 191 Cb 0.08 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 3kz9 h SER 191 CO -0.12 0.34 0.44 0.28 -1.14 0.00 0.00 176.83 176.62 3kz9 h SER 192 N 0.59 0.68 0.06 3.07 0.02 -0.60 -0.31 113.55 117.05 3kz9 h SER 192 Ca 0.20 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3kz9 h SER 192 Cb 0.02 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3kz9 h SER 192 CO -0.09 0.44 -0.03 1.88 -1.14 0.00 0.00 176.83 177.90 3kz9 h TYR 193 N 0.81 -0.07 -0.36 3.45 0.99 -1.00 -3.27 116.97 117.51 3kz9 h TYR 193 Ca 0.32 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.93 3kz9 h TYR 193 Cb 0.14 0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.88 3kz9 h TYR 193 CO -0.06 0.25 -0.24 -0.07 -0.00 0.00 0.00 178.16 178.04 3kz9 h LEU 194 N -0.40 0.72 -4.32 3.88 3.38 -1.02 -3.27 115.31 114.29 3kz9 h LEU 194 Ca -0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3kz9 h LEU 194 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kz9 h LEU 194 CO 0.01 0.94 0.12 0.47 0.09 0.00 0.00 178.44 180.08 3kz9 n ASP 195 N -4.11 1.88 -1.01 -0.43 8.00 -0.14 -4.82 116.55 115.92 3kz9 n ASP 195 Ca -0.00 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.76 3kz9 n ASP 195 Cb 0.43 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3kz9 n ASP 195 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kz9 n LEU 197 N 2.50 0.00 -3.59 0.64 4.77 -1.24 -5.08 117.00 114.99 3kz9 n LEU 197 Ca 0.10 0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 56.31 3kz9 n LEU 197 Cb 0.28 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.49 3kz9 n LEU 197 CO 0.14 -0.63 0.50 0.00 -1.33 0.00 0.00 177.39 176.07 3kz9 n ILE 199 N 0.89 0.00 -3.54 0.00 -5.35 -1.26 -5.03 119.36 105.07 3kz9 n ILE 199 Ca 0.29 -0.45 -0.32 0.00 -0.27 0.00 0.00 62.75 62.00 3kz9 n ILE 199 Cb 0.38 1.09 -0.05 0.00 -1.74 0.00 0.00 39.64 39.31 3kz9 n ILE 199 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3kz9 s TYR 200 N -0.89 3.48 -0.02 4.28 2.02 -1.26 -0.35 117.35 124.61 3kz9 s TYR 200 Ca 0.06 0.75 0.03 0.00 -0.37 0.00 0.00 57.07 57.54 3kz9 s TYR 200 Cb 0.05 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 3kz9 s TYR 200 CO 0.14 0.38 -0.09 0.21 -1.57 0.00 0.00 175.55 174.62 3kz9 s LYS 201 N -2.55 2.56 0.18 -0.62 2.20 -0.89 -4.63 119.74 115.99 3kz9 s LYS 201 Ca 0.42 -0.69 -0.33 0.00 -0.36 0.00 0.00 55.97 55.01 3kz9 s LYS 201 Cb -0.12 -2.48 -0.13 0.00 -1.51 0.00 0.00 37.83 33.59 3kz9 s LYS 201 CO 0.22 0.62 1.63 -2.13 -0.36 0.00 0.00 175.35 175.33 3kz9 n ARG 202 N 1.88 2.40 -1.94 4.03 0.63 -1.26 -4.71 116.66 117.69 3kz9 n ARG 202 Ca -0.16 0.87 -0.41 0.00 -0.92 0.00 0.00 57.85 57.22 3kz9 n ARG 202 Cb 0.53 -2.66 -0.02 0.00 0.45 0.00 0.00 32.46 30.75 3kz9 n ARG 202 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3kz9 s GLU 203 N 0.95 4.22 0.29 -0.14 -1.05 -1.26 -4.99 118.70 116.71 3kz9 s GLU 203 Ca 0.77 2.39 0.11 0.00 -0.15 0.00 0.00 54.97 58.09 3kz9 s GLU 203 Cb -0.61 -3.08 -0.05 0.00 -0.44 0.00 0.00 34.13 29.95 3kz9 s GLU 203 CO 0.36 -0.49 -0.13 -1.01 0.95 0.00 0.00 175.26 174.95 3kz9 s HIS 204 N -0.04 2.40 -2.00 4.83 3.76 -1.26 -5.23 115.29 117.75 3kz9 s HIS 204 Ca 0.60 -0.35 0.08 0.00 -0.15 0.00 0.00 55.06 55.24 3kz9 s HIS 204 Cb -0.44 -1.13 0.45 0.00 1.11 0.00 0.00 32.58 32.58 3kz9 s HIS 204 CO 0.45 0.66 0.91 0.39 -0.85 0.00 0.00 174.74 176.30