#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz9 n LYS 6 N 0.00 0.88 -4.13 0.00 5.02 -1.26 -5.01 118.16 113.66 3kz9 n LYS 6 Ca 0.00 0.34 -0.30 0.00 -2.02 0.00 0.00 58.31 56.33 3kz9 n LYS 6 Cb 0.00 -2.03 -0.08 0.00 -0.02 0.00 0.00 35.03 32.91 3kz9 n LYS 6 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kz9 s ARG 7 N -2.45 2.54 0.45 1.97 0.52 0.68 -5.05 118.95 117.61 3kz9 s ARG 7 Ca 0.72 -0.86 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 3kz9 s ARG 7 Cb -0.45 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 32.42 3kz9 s ARG 7 CO 0.51 0.53 1.23 -1.25 0.02 0.00 0.00 175.30 176.34 3kz9 s PRO 8 N -2.39 3.77 0.13 3.54 0.04 -1.26 -4.66 135.00 134.16 3kz9 s PRO 8 Ca 0.26 1.97 -0.31 0.00 0.04 0.00 0.00 61.00 62.95 3kz9 s PRO 8 Cb -0.11 -2.53 -0.10 0.00 0.04 0.00 0.00 34.50 31.80 3kz9 s PRO 8 CO 0.18 -0.59 1.67 1.03 0.04 0.00 0.00 177.00 179.33 3kz9 s ARG 9 N -2.53 4.18 -0.02 4.56 0.52 -1.26 -4.99 118.95 119.41 3kz9 s ARG 9 Ca 0.62 2.43 -0.13 0.00 -0.52 0.00 0.00 55.73 58.13 3kz9 s ARG 9 Cb -0.33 -3.39 0.02 0.00 0.52 0.00 0.00 34.95 31.76 3kz9 s ARG 9 CO 0.41 -0.72 0.28 -0.08 0.02 0.00 0.00 175.30 175.21 3kz9 s THR 10 N 2.01 0.06 0.11 0.02 -1.32 -1.26 -5.15 115.64 110.09 3kz9 s THR 10 Ca 0.74 -0.46 -0.22 0.00 -1.21 0.00 0.00 61.69 60.54 3kz9 s THR 10 Cb -0.44 -0.56 -0.07 0.00 -1.51 0.00 0.00 72.50 69.92 3kz9 s THR 10 CO 0.33 -0.25 0.66 -0.60 -2.21 0.00 0.00 174.62 172.54 3kz9 s ARG 11 N -1.17 4.36 0.04 7.08 3.52 -1.26 -5.08 118.95 126.44 3kz9 s ARG 11 Ca -0.12 0.92 -0.07 0.00 -0.13 0.00 0.00 55.73 56.32 3kz9 s ARG 11 Cb -0.05 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3kz9 s ARG 11 CO 0.03 0.59 0.14 -0.51 -0.81 0.00 0.00 175.30 174.75 3kz9 s LEU 12 N -1.06 1.59 0.75 -0.88 1.43 -1.26 -5.07 118.68 114.18 3kz9 s LEU 12 Ca 0.32 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.84 3kz9 s LEU 12 Cb -0.21 0.77 0.05 0.00 0.03 0.00 0.00 46.19 46.83 3kz9 s LEU 12 CO 0.22 -0.53 1.12 -0.94 0.23 0.00 0.00 176.35 176.44 3kz9 s SER 13 N -2.11 4.46 0.53 2.29 1.04 -1.26 -4.69 113.70 113.96 3kz9 s SER 13 Ca -0.05 1.98 0.19 0.00 0.48 0.00 0.00 55.95 58.55 3kz9 s SER 13 Cb -0.01 -2.54 1.36 0.00 0.10 0.00 0.00 66.02 64.93 3kz9 s SER 13 CO -0.04 -2.07 2.15 -0.65 0.98 0.00 0.00 173.24 173.61 3kz9 h PRO 14 N -0.76 0.00 -0.10 4.02 0.11 -2.02 0.48 132.00 133.74 3kz9 h PRO 14 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3kz9 h PRO 14 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kz9 h PRO 14 CO 0.51 0.00 -0.33 1.37 -0.21 0.00 0.00 178.00 179.34 3kz9 h LEU 15 N 0.00 0.47 -0.29 2.35 8.10 -1.98 -2.16 115.31 121.80 3kz9 h LEU 15 Ca 0.02 -0.61 -0.20 0.00 0.11 0.00 0.00 57.88 57.20 3kz9 h LEU 15 Cb 0.09 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.18 3kz9 h LEU 15 CO -0.00 0.99 -0.78 0.11 -4.11 0.00 0.00 178.44 174.66 3kz9 h LYS 16 N -0.04 0.54 -0.55 0.17 1.57 -1.77 -0.28 116.57 116.21 3kz9 h LYS 16 Ca -0.01 -0.46 0.02 0.00 -1.87 0.00 0.00 60.65 58.33 3kz9 h LYS 16 Cb 0.95 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 3kz9 h LYS 16 CO 0.07 1.09 0.35 -0.09 -0.57 0.00 0.00 179.45 180.30 3kz9 h ARG 17 N 0.36 0.68 -0.84 3.15 9.65 -0.17 0.26 114.38 127.48 3kz9 h ARG 17 Ca -0.05 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3kz9 h ARG 17 Cb 1.38 -0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 29.74 3kz9 h ARG 17 CO 0.14 0.45 0.50 -0.22 2.80 0.00 0.00 179.97 183.65 3kz9 h LYS 18 N 0.70 0.87 -0.15 0.20 1.63 -1.15 0.17 116.57 118.83 3kz9 h LYS 18 Ca 0.21 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 3kz9 h LYS 18 Cb -0.03 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.40 3kz9 h LYS 18 CO -0.07 0.57 -0.12 1.96 -3.45 0.00 0.00 179.45 178.35 3kz9 h GLN 19 N 0.89 0.35 0.18 1.90 4.20 -0.56 -3.25 115.11 118.82 3kz9 h GLN 19 Ca 0.38 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.93 3kz9 h GLN 19 Cb 0.24 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3kz9 h GLN 19 CO -0.20 0.70 -0.23 0.37 -0.67 0.00 0.00 178.83 178.80 3kz9 h GLN 20 N -0.01 -0.45 -1.64 1.46 4.15 0.00 -0.25 115.11 118.37 3kz9 h GLN 20 Ca 0.03 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3kz9 h GLN 20 Cb 0.62 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.42 3kz9 h GLN 20 CO 0.03 -0.30 0.00 1.28 -1.93 0.00 0.00 178.83 177.91 3kz9 n LEU 21 N -5.36 0.00 0.00 -2.39 4.77 0.54 -0.97 117.00 113.59 3kz9 n LEU 21 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3kz9 n LEU 21 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3kz9 n LEU 21 CO 0.28 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.72 3kz9 n GLU 23 N 0.90 0.00 0.07 3.23 1.02 -0.11 -0.81 120.64 124.94 3kz9 n GLU 23 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 3kz9 n GLU 23 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 1.32 -0.57 -3.67 2.04 -1.32 -3.10 117.51 112.21 3kz9 h ILE 24 Ca 0.00 -2.41 -0.01 0.00 1.00 0.00 0.00 64.86 63.44 3kz9 h ILE 24 Cb 0.00 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.58 3kz9 h ILE 24 CO 0.00 0.73 0.34 0.00 0.00 0.00 0.00 178.15 179.22 3kz9 h ALA 25 N 0.46 0.73 -0.51 1.87 0.00 -1.22 -0.76 119.26 119.82 3kz9 h ALA 25 Ca -0.14 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.78 3kz9 h ALA 25 Cb 1.76 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 3kz9 h ALA 25 CO 0.21 0.22 -0.36 -0.07 0.00 0.00 0.00 179.25 179.25 3kz9 h LEU 26 N 0.77 -1.22 -0.37 0.00 4.07 -1.83 0.96 115.31 117.68 3kz9 h LEU 26 Ca 0.20 0.22 0.03 0.00 0.08 0.00 0.00 57.88 58.41 3kz9 h LEU 26 Cb -0.00 0.58 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 3kz9 h LEU 26 CO -0.04 -0.32 0.18 -0.33 -1.08 0.00 0.00 178.44 176.86 3kz9 h GLU 27 N -0.22 0.37 -0.09 1.13 5.08 -1.39 -0.55 114.58 118.91 3kz9 h GLU 27 Ca 0.19 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3kz9 h GLU 27 Cb 0.55 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kz9 h GLU 27 CO -0.62 0.24 0.05 0.28 -1.00 0.00 0.00 179.01 177.96 3kz9 h VAL 28 N 0.38 1.08 0.00 3.13 2.07 -0.81 -1.33 116.25 120.77 3kz9 h VAL 28 Ca 0.16 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3kz9 h VAL 28 Cb 0.07 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kz9 h VAL 28 CO -0.11 0.07 -0.34 -0.26 0.02 0.00 0.00 177.57 176.95 3kz9 h PHE 29 N 0.05 0.00 -0.31 1.57 0.05 -0.65 -0.01 116.94 117.64 3kz9 h PHE 29 Ca 0.03 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.66 3kz9 h PHE 29 Cb 0.07 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.02 3kz9 h PHE 29 CO -0.05 0.34 -0.42 0.00 -0.18 0.00 0.00 178.31 178.00 3kz9 h ALA 30 N 1.66 0.47 0.08 2.45 0.00 -0.81 -3.38 119.26 119.72 3kz9 h ALA 30 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3kz9 h ALA 30 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3kz9 h ALA 30 CO 0.04 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 3kz9 h ARG 31 N 0.60 -0.10 0.00 0.00 -0.00 -0.93 -3.47 114.38 110.49 3kz9 h ARG 31 Ca 0.03 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 3kz9 h ARG 31 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.01 3kz9 h ARG 31 CO 0.10 0.26 0.00 2.89 0.00 0.00 0.00 179.97 183.22 3kz9 n ARG 32 N -4.81 2.37 0.00 0.04 1.85 -0.05 -5.11 116.66 110.96 3kz9 n ARG 32 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 3kz9 n ARG 32 Cb 0.20 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 3kz9 n ARG 32 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kz9 n GLY 33 N 5.00 3.85 0.04 2.89 0.00 -1.26 -4.49 105.19 111.22 3kz9 n GLY 33 Ca 0.00 -1.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.07 3kz9 n GLY 33 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kz9 h ILE 34 N 0.00 0.00 0.00 -0.61 2.04 -1.93 -3.41 117.51 113.60 3kz9 h ILE 34 Ca 0.00 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.17 3kz9 h ILE 34 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3kz9 h ILE 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3kz9 n GLY 35 N 1.82 1.73 1.07 5.37 0.00 -1.26 -4.12 105.19 109.79 3kz9 n GLY 35 Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3kz9 n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kz9 n ARG 36 N 1.77 -0.16 -0.30 1.61 1.85 -1.26 -4.95 116.66 115.21 3kz9 n ARG 36 Ca 0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 57.85 56.25 3kz9 n ARG 36 Cb 0.00 -0.33 0.06 0.00 -1.05 0.00 0.00 32.46 31.14 3kz9 n ARG 36 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3kz9 n GLY 37 N 2.67 -1.55 0.00 2.89 0.00 -1.26 -4.78 105.19 103.16 3kz9 n GLY 37 Ca 0.05 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3kz9 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kz9 n GLY 38 N -1.42 0.75 0.38 -0.02 0.00 -1.26 -4.94 105.19 98.68 3kz9 n GLY 38 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.71 -0.18 1.61 3.86 -1.94 -2.11 115.15 117.10 3kz9 h HIS 39 Ca 0.00 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 3kz9 h HIS 39 Cb 0.00 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.25 3kz9 h HIS 39 CO 0.00 0.26 -0.35 0.00 0.86 0.00 0.00 177.93 178.70 3kz9 h ALA 40 N 1.61 0.28 -0.85 2.45 0.00 -1.95 -2.24 119.26 118.57 3kz9 h ALA 40 Ca 0.43 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3kz9 h ALA 40 Cb 0.78 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3kz9 h ALA 40 CO -0.18 0.34 0.47 -0.44 0.00 0.00 0.00 179.25 179.45 3kz9 h ASP 41 N 0.20 1.05 -0.21 0.00 3.32 -1.84 -0.88 116.42 118.07 3kz9 h ASP 41 Ca 0.01 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3kz9 h ASP 41 Cb 0.95 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3kz9 h ASP 41 CO 0.08 0.84 -0.07 0.40 -1.72 0.00 0.00 179.24 178.77 3kz9 h ILE 42 N 1.18 1.29 -0.83 0.35 2.04 -1.47 -2.15 117.51 117.93 3kz9 h ILE 42 Ca 0.30 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3kz9 h ILE 42 Cb 0.01 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3kz9 h ILE 42 CO -0.05 0.33 0.47 0.00 0.00 0.00 0.00 178.15 178.90 3kz9 h ALA 43 N 0.73 1.06 -0.04 1.87 0.00 -1.19 -1.18 119.26 120.51 3kz9 h ALA 43 Ca 0.05 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3kz9 h ALA 43 Cb 0.54 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3kz9 h ALA 43 CO 0.02 0.55 -0.17 1.49 0.00 0.00 0.00 179.25 181.14 3kz9 h GLU 44 N 1.15 -0.25 -0.37 0.00 4.81 -1.05 0.12 114.58 118.97 3kz9 h GLU 44 Ca 0.29 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 3kz9 h GLU 44 Cb 0.00 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3kz9 h GLU 44 CO -0.05 -0.17 -0.20 0.82 -0.73 0.00 0.00 179.01 178.68 3kz9 h ILE 45 N -0.26 1.28 -0.00 2.32 2.04 -1.17 -2.82 117.51 118.91 3kz9 h ILE 45 Ca 0.07 -1.33 -0.11 0.00 1.00 0.00 0.00 64.86 64.49 3kz9 h ILE 45 Cb 0.36 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 3kz9 h ILE 45 CO -0.20 0.44 -0.51 0.00 0.00 0.00 0.00 178.15 177.89 3kz9 h ALA 46 N 0.79 1.16 -4.59 1.87 0.00 -1.23 0.19 119.26 117.46 3kz9 h ALA 46 Ca 0.08 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 3kz9 h ALA 46 Cb 0.75 -0.08 0.13 0.00 0.00 0.00 0.00 17.79 18.59 3kz9 h ALA 46 CO 0.06 0.63 -0.56 1.04 0.00 0.00 0.00 179.25 180.42 3kz9 n GLN 47 N -3.94 -1.71 -4.16 0.00 6.02 0.34 -4.66 117.38 109.27 3kz9 n GLN 47 Ca -0.01 0.57 -0.10 0.00 -0.01 0.00 0.00 57.00 57.44 3kz9 n GLN 47 Cb 0.52 -4.38 -0.10 0.00 1.02 0.00 0.00 30.24 27.30 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 -3.25 0.08 0.71 5.09 -7.23 -0.81 -4.94 120.40 110.04 3kz9 s VAL 48 Ca 0.28 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.36 3kz9 s VAL 48 Cb -0.04 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.78 3kz9 s VAL 48 CO 0.49 -0.35 1.22 -0.94 -0.31 0.00 0.00 175.10 175.21 3kz9 s SER 49 N -3.08 4.29 0.37 4.85 1.04 -1.26 -4.45 113.70 115.46 3kz9 s SER 49 Ca 0.28 2.41 0.10 0.00 0.48 0.00 0.00 55.95 59.22 3kz9 s SER 49 Cb 0.07 -2.60 0.72 0.00 0.10 0.00 0.00 66.02 64.31 3kz9 s SER 49 CO 0.04 -2.20 1.86 1.62 0.98 0.00 0.00 173.24 175.54 3kz9 h VAL 50 N -0.10 1.22 -0.94 5.02 3.04 -1.91 -2.16 116.25 120.41 3kz9 h VAL 50 Ca -0.48 -1.00 0.02 0.00 -1.01 0.00 0.00 66.70 64.23 3kz9 h VAL 50 Cb 1.30 1.38 -0.05 0.00 -2.01 0.00 0.00 31.29 31.91 3kz9 h VAL 50 CO 0.50 0.30 0.62 0.00 -1.01 0.00 0.00 177.57 177.99 3kz9 h ALA 51 N 1.59 1.22 -0.36 3.17 0.00 -1.94 -1.57 119.26 121.38 3kz9 h ALA 51 Ca 0.03 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3kz9 h ALA 51 Cb 0.50 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3kz9 h ALA 51 CO 0.03 0.54 0.20 1.15 0.00 0.00 0.00 179.25 181.17 3kz9 h THR 52 N 1.24 1.02 -0.38 0.00 2.02 -1.74 0.20 112.91 115.26 3kz9 h THR 52 Ca 0.36 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 3kz9 h THR 52 Cb -0.07 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3kz9 h THR 52 CO -0.10 0.07 0.05 0.58 0.37 0.00 0.00 175.52 176.49 3kz9 h VAL 53 N 0.41 1.20 0.00 3.16 2.07 -1.42 -1.28 116.25 120.38 3kz9 h VAL 53 Ca 0.14 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 3kz9 h VAL 53 Cb 0.02 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kz9 h VAL 53 CO -0.08 0.26 -0.48 -0.26 0.02 0.00 0.00 177.57 177.03 3kz9 h PHE 54 N 0.57 0.00 -0.37 1.57 -1.00 -0.75 -0.08 116.94 116.87 3kz9 h PHE 54 Ca 0.13 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.93 3kz9 h PHE 54 Cb 0.29 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 3kz9 h PHE 54 CO 0.01 0.48 0.20 -0.91 -1.61 0.00 0.00 178.31 176.48 3kz9 h ASN 55 N 0.00 0.31 0.99 2.17 2.35 0.57 -1.65 115.58 120.31 3kz9 h ASN 55 Ca -0.00 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 3kz9 h ASN 55 Cb 0.85 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3kz9 h ASN 55 CO 0.06 0.22 -1.04 1.88 -1.65 0.00 0.00 177.43 176.91 3kz9 h TYR 56 N 0.41 0.00 -2.51 1.19 0.05 -1.38 -3.41 116.97 111.32 3kz9 h TYR 56 Ca 0.15 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.34 3kz9 h TYR 56 Cb 0.04 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.39 3kz9 h TYR 56 CO -0.09 0.94 -0.90 -0.06 -1.05 0.00 0.00 178.16 177.01 3kz9 s PHE 57 N -2.73 1.59 0.61 4.88 0.08 -0.05 -4.99 117.98 117.36 3kz9 s PHE 57 Ca 0.01 -2.53 0.30 0.00 0.12 0.00 0.00 56.93 54.83 3kz9 s PHE 57 Cb 0.09 -1.28 1.70 0.00 -0.57 0.00 0.00 43.02 42.97 3kz9 s PHE 57 CO 0.81 -0.77 2.08 -1.35 -0.10 0.00 0.00 175.22 175.89 3kz9 h PRO 58 N 5.59 0.00 -4.61 0.24 0.11 -1.54 -3.38 132.00 128.41 3kz9 h PRO 58 Ca 0.24 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.13 3kz9 h PRO 58 Cb 0.88 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.84 3kz9 h PRO 58 CO 0.44 0.00 -0.68 0.95 -0.21 0.00 0.00 178.00 178.50 3kz9 s THR 59 N -4.52 0.58 0.27 -1.15 -4.23 -1.26 -4.99 115.64 100.34 3kz9 s THR 59 Ca -0.04 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3kz9 s THR 59 Cb 0.14 -1.79 0.27 0.00 1.34 0.00 0.00 72.50 72.46 3kz9 s THR 59 CO 0.50 -0.77 1.70 -0.09 -0.54 0.00 0.00 174.62 175.43 3kz9 h ARG 60 N 2.92 0.39 -0.88 3.99 2.43 -1.92 -2.54 114.38 118.78 3kz9 h ARG 60 Ca -0.35 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.79 3kz9 h ARG 60 Cb 1.17 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3kz9 h ARG 60 CO 0.64 0.26 0.52 1.49 -1.51 0.00 0.00 179.97 181.36 3kz9 h GLU 61 N 0.40 1.20 -0.65 0.20 4.81 -1.95 0.02 114.58 118.60 3kz9 h GLU 61 Ca 0.51 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.56 3kz9 h GLU 61 Cb 0.90 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 3kz9 h GLU 61 CO -0.50 0.85 0.16 -0.44 -0.73 0.00 0.00 179.01 178.35 3kz9 h ASP 62 N 1.21 0.97 -0.10 1.04 3.32 -1.83 -0.10 116.42 120.92 3kz9 h ASP 62 Ca 0.31 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 3kz9 h ASP 62 Cb -0.03 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.27 3kz9 h ASP 62 CO -0.06 0.94 -0.47 0.25 -1.72 0.00 0.00 179.24 178.18 3kz9 h LEU 63 N 0.98 0.59 -1.35 1.55 5.85 -1.17 -2.09 115.31 119.67 3kz9 h LEU 63 Ca 0.21 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.32 3kz9 h LEU 63 Cb 0.35 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3kz9 h LEU 63 CO 0.00 1.13 0.46 0.58 -0.34 0.00 0.00 178.44 180.28 3kz9 h VAL 64 N 0.09 1.11 0.01 1.05 2.07 -0.93 -1.77 116.25 117.87 3kz9 h VAL 64 Ca -0.03 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kz9 h VAL 64 Cb 1.12 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3kz9 h VAL 64 CO 0.10 0.16 -0.00 -0.78 0.02 0.00 0.00 177.57 177.06 3kz9 h ASP 65 N 0.85 -0.01 -0.28 0.57 3.58 -0.89 -0.30 116.42 119.94 3kz9 h ASP 65 Ca 0.28 -0.43 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 3kz9 h ASP 65 Cb 0.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3kz9 h ASP 65 CO -0.08 0.42 0.17 -0.08 -2.88 0.00 0.00 179.24 176.80 3kz9 h GLU 66 N -0.44 0.37 -0.29 0.28 4.57 -1.30 0.93 114.58 118.70 3kz9 h GLU 66 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3kz9 h GLU 66 Cb 0.43 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 3kz9 h GLU 66 CO 0.00 0.28 0.14 0.28 -1.18 0.00 0.00 179.01 178.53 3kz9 h VAL 67 N 0.35 1.15 -0.36 0.32 2.07 -1.37 -1.31 116.25 117.10 3kz9 h VAL 67 Ca 0.10 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3kz9 h VAL 67 Cb 0.00 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kz9 h VAL 67 CO -0.02 0.16 0.22 0.25 0.02 0.00 0.00 177.57 178.20 3kz9 h LEU 68 N 0.34 0.36 -1.23 2.57 5.85 -0.87 0.24 115.31 122.57 3kz9 h LEU 68 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3kz9 h LEU 68 Cb 0.12 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3kz9 h LEU 68 CO -0.01 0.26 -0.24 0.78 -0.34 0.00 0.00 178.44 178.89 3kz9 h ASN 69 N 0.44 0.23 0.77 1.25 2.35 -0.67 -0.24 115.58 119.72 3kz9 h ASN 69 Ca 0.14 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3kz9 h ASN 69 Cb -0.01 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.31 3kz9 h ASN 69 CO -0.06 0.48 -0.37 -0.74 -1.65 0.00 0.00 177.43 175.09 3kz9 h HIS 70 N 0.21 -0.96 0.00 1.19 2.76 -0.52 -2.50 115.15 115.33 3kz9 h HIS 70 Ca 0.04 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 3kz9 h HIS 70 Cb 0.54 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 3kz9 h HIS 70 CO 0.01 -0.60 -0.19 -0.39 -1.30 0.00 0.00 177.93 175.46 3kz9 h VAL 71 N -1.27 1.13 -0.28 5.26 -1.51 -0.35 -0.73 116.25 118.50 3kz9 h VAL 71 Ca -0.11 -0.64 -0.07 0.00 -1.23 0.00 0.00 66.70 64.66 3kz9 h VAL 71 Cb 0.80 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 3kz9 h VAL 71 CO 0.17 0.18 -0.08 0.58 -1.23 0.00 0.00 177.57 177.19 3kz9 h VAL 72 N 0.00 1.29 -0.45 7.19 2.07 -1.12 -0.40 116.25 124.82 3kz9 h VAL 72 Ca -0.00 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3kz9 h VAL 72 Cb 0.33 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kz9 h VAL 72 CO 0.02 0.36 0.26 -0.09 0.02 0.00 0.00 177.57 178.14 3kz9 h ARG 73 N 0.30 0.50 -0.93 1.57 2.43 -0.84 -0.02 114.38 117.39 3kz9 h ARG 73 Ca 0.07 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kz9 h ARG 73 Cb 0.57 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 3kz9 h ARG 73 CO 0.03 0.33 0.58 1.96 -1.51 0.00 0.00 179.97 181.36 3kz9 h GLN 74 N 0.52 1.25 -0.45 0.20 1.08 -0.93 -1.20 115.11 115.57 3kz9 h GLN 74 Ca 0.18 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.16 3kz9 h GLN 74 Cb 0.04 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 3kz9 h GLN 74 CO -0.10 0.86 -0.19 0.35 -0.95 0.00 0.00 178.83 178.80 3kz9 h PHE 75 N 1.28 1.02 -0.64 2.96 3.57 -0.73 -0.60 116.94 123.79 3kz9 h PHE 75 Ca 0.34 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kz9 h PHE 75 Cb -0.08 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 3kz9 h PHE 75 CO 0.00 1.01 0.42 1.03 -2.23 0.00 0.00 178.31 178.54 3kz9 h SER 76 N 0.78 0.72 -0.60 0.41 0.87 -0.58 -0.89 113.55 114.27 3kz9 h SER 76 Ca 0.11 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3kz9 h SER 76 Cb 0.74 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 3kz9 h SER 76 CO 0.06 0.52 0.37 0.78 -0.53 0.00 0.00 176.83 178.03 3kz9 h ASN 77 N 0.85 0.60 -0.52 6.23 2.35 -1.09 -1.29 115.58 122.73 3kz9 h ASN 77 Ca 0.24 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3kz9 h ASN 77 Cb -0.08 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 3kz9 h ASN 77 CO -0.06 0.42 0.32 0.15 -1.65 0.00 0.00 177.43 176.61 3kz9 h PHE 78 N 0.73 0.68 -0.18 1.19 3.57 -0.66 0.85 116.94 123.12 3kz9 h PHE 78 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3kz9 h PHE 78 Cb 0.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3kz9 h PHE 78 CO -0.05 0.46 0.09 -0.07 -2.23 0.00 0.00 178.31 176.51 3kz9 h LEU 79 N 0.69 0.23 -0.74 0.59 3.38 -1.08 -2.34 115.31 116.05 3kz9 h LEU 79 Ca 0.19 -0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3kz9 h LEU 79 Cb -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 3kz9 h LEU 79 CO -0.04 0.27 0.30 -1.28 0.09 0.00 0.00 178.44 177.79 3kz9 h SER 80 N 0.17 0.31 0.93 -0.43 0.87 -0.73 -0.28 113.55 114.39 3kz9 h SER 80 Ca 0.06 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3kz9 h SER 80 Cb 0.10 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3kz9 h SER 80 CO -0.01 0.13 0.00 0.47 -0.53 0.00 0.00 176.83 176.89 3kz9 n ASP 81 N -4.98 0.65 0.00 6.23 10.43 0.25 -4.13 116.55 125.00 3kz9 n ASP 81 Ca 0.13 0.63 0.00 0.00 2.57 0.00 0.00 54.79 58.12 3kz9 n ASP 81 Cb 0.38 -0.78 0.00 0.00 1.84 0.00 0.00 41.12 42.56 3kz9 n ASP 81 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3kz9 n ASN 82 N -2.19 0.35 -4.68 -2.24 3.02 -0.42 -5.00 115.26 104.11 3kz9 n ASN 82 Ca 0.03 -0.67 -0.35 0.00 -0.03 0.00 0.00 54.58 53.56 3kz9 n ASN 82 Cb 0.29 0.37 -0.09 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.37 4.64 -0.26 2.41 1.01 -0.25 -4.34 121.20 124.04 3kz9 s ILE 83 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kz9 s ILE 83 Cb 0.00 -3.02 0.08 0.00 0.01 0.00 0.00 42.46 39.53 3kz9 s ILE 83 CO 0.00 0.55 0.07 -0.62 0.00 0.00 0.00 174.94 174.94 3kz9 s ASP 84 N -0.36 3.58 0.00 3.58 -1.08 -1.26 -4.90 116.67 116.22 3kz9 s ASP 84 Ca 0.08 -1.29 0.09 0.00 -0.52 0.00 0.00 52.55 50.91 3kz9 s ASP 84 Cb -0.12 -0.72 0.54 0.00 -1.46 0.00 0.00 42.92 41.16 3kz9 s ASP 84 CO 0.02 -0.37 1.09 0.18 0.52 0.00 0.00 175.17 176.60 3kz9 n LEU 85 N 4.96 0.00 0.18 -1.34 4.77 -1.26 -0.53 117.00 123.78 3kz9 n LEU 85 Ca -0.05 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.01 3kz9 n LEU 85 Cb 0.44 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3kz9 n LEU 85 CO 0.11 0.00 0.59 0.44 -1.33 0.00 0.00 177.39 177.21 3kz9 h ASP 86 N 0.00 0.00 -3.89 -1.43 3.32 -2.05 -3.47 116.42 108.90 3kz9 h ASP 86 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3kz9 h ASP 86 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 3kz9 h ASP 86 CO 0.00 0.21 0.23 -0.76 -1.72 0.00 0.00 179.24 177.20 3kz9 s LEU 87 N -6.23 3.49 0.51 1.55 1.43 0.31 -5.05 118.68 114.69 3kz9 s LEU 87 Ca 0.05 1.14 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 3kz9 s LEU 87 Cb 0.06 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 3kz9 s LEU 87 CO 0.71 -0.68 1.27 -2.28 0.23 0.00 0.00 176.35 175.60 3kz9 s HIS 88 N -2.88 2.54 0.22 0.29 5.65 -1.26 -4.84 115.29 115.00 3kz9 s HIS 88 Ca 0.51 1.45 -0.14 0.00 0.25 0.00 0.00 55.06 57.12 3kz9 s HIS 88 Cb -0.11 -3.60 0.26 0.00 -1.18 0.00 0.00 32.58 27.95 3kz9 s HIS 88 CO 0.47 -2.27 1.60 0.00 -0.65 0.00 0.00 174.74 173.89 3kz9 h ALA 89 N 1.66 0.34 -0.82 1.58 0.00 -1.95 -1.24 119.26 118.83 3kz9 h ALA 89 Ca -0.50 0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3kz9 h ALA 89 Cb 1.28 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 3kz9 h ALA 89 CO 0.58 -0.49 0.54 -0.22 0.00 0.00 0.00 179.25 179.66 3kz9 h LYS 90 N -0.04 0.61 0.13 0.00 3.64 -1.94 0.31 116.57 119.27 3kz9 h LYS 90 Ca 0.33 -0.04 -0.26 0.00 -1.27 0.00 0.00 60.65 59.41 3kz9 h LYS 90 Cb 0.55 -0.14 0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3kz9 h LYS 90 CO -0.76 0.40 -1.08 1.49 -2.27 0.00 0.00 179.45 177.24 3kz9 h GLU 91 N 0.63 0.51 -0.75 1.90 4.81 -1.62 -2.43 114.58 117.62 3kz9 h GLU 91 Ca 0.40 -0.72 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3kz9 h GLU 91 Cb 0.67 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.26 3kz9 h GLU 91 CO -0.16 1.32 0.50 -0.91 -0.73 0.00 0.00 179.01 179.02 3kz9 h ASN 92 N 0.05 0.87 0.09 1.04 -0.26 -0.87 -0.36 115.58 116.14 3kz9 h ASN 92 Ca -0.17 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 3kz9 h ASN 92 Cb 1.80 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.83 3kz9 h ASN 92 CO 0.21 0.63 -0.08 0.40 -1.06 0.00 0.00 177.43 177.53 3kz9 h ILE 93 N 1.02 0.82 -0.72 2.81 2.04 -0.99 0.12 117.51 122.61 3kz9 h ILE 93 Ca 0.28 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.17 3kz9 h ILE 93 Cb -0.11 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 3kz9 h ILE 93 CO -0.06 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.54 3kz9 h ALA 94 N 0.72 0.95 -0.21 1.87 0.00 -1.31 -0.18 119.26 121.10 3kz9 h ALA 94 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kz9 h ALA 94 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3kz9 h ALA 94 CO -0.02 0.22 -0.04 -0.91 0.00 0.00 0.00 179.25 178.50 3kz9 h ASN 95 N 0.86 0.41 0.01 0.00 2.35 -0.52 -1.10 115.58 117.59 3kz9 h ASN 95 Ca 0.29 -0.36 0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3kz9 h ASN 95 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3kz9 h ASN 95 CO -0.12 0.67 -0.03 0.40 -1.65 0.00 0.00 177.43 176.69 3kz9 h ILE 96 N 0.14 0.91 -0.02 2.81 2.04 -0.65 -1.89 117.51 120.86 3kz9 h ILE 96 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3kz9 h ILE 96 Cb 0.48 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3kz9 h ILE 96 CO 0.02 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.70 3kz9 h THR 97 N -0.06 0.50 -0.24 -0.27 2.02 -0.81 -3.04 112.91 111.01 3kz9 h THR 97 Ca 0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 3kz9 h THR 97 Cb 0.08 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3kz9 h THR 97 CO -0.03 0.00 -0.23 0.78 0.37 0.00 0.00 175.52 176.41 3kz9 h ASN 98 N -0.33 0.44 0.00 4.18 2.35 -1.17 -2.22 115.58 118.83 3kz9 h ASN 98 Ca 0.06 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3kz9 h ASN 98 Cb 0.42 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3kz9 h ASN 98 CO -0.21 0.68 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 3kz9 n ALA 99 N -2.48 1.82 0.00 -0.83 0.00 -0.72 -2.05 120.51 116.26 3kz9 n ALA 99 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz9 n ALA 99 Cb 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.87 0.00 -0.14 0.00 2.08 -0.84 -1.40 119.36 119.93 3kz9 n ILE 101 Ca 0.00 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.20 3kz9 n ILE 101 Cb 0.16 0.00 -0.01 0.00 -0.75 0.00 0.00 39.64 39.03 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 0.83 -0.95 0.38 4.57 -1.71 0.29 114.58 118.00 3kz9 h GLU 102 Ca 0.00 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 57.90 3kz9 h GLU 102 Cb 0.00 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 3kz9 h GLU 102 CO 0.00 0.97 0.62 -0.07 -1.18 0.00 0.00 179.01 179.34 3kz9 h LEU 103 N 0.65 0.99 -0.00 1.64 3.38 -1.51 -0.11 115.31 120.34 3kz9 h LEU 103 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kz9 h LEU 103 Cb 0.68 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kz9 h LEU 103 CO 0.05 0.65 -0.00 0.58 0.09 0.00 0.00 178.44 179.81 3kz9 h VAL 104 N 1.13 1.31 -0.37 1.22 2.07 -1.75 -2.43 116.25 117.43 3kz9 h VAL 104 Ca 0.40 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 67.11 3kz9 h VAL 104 Cb 0.12 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3kz9 h VAL 104 CO -0.14 0.24 0.29 0.58 0.02 0.00 0.00 177.57 178.55 3kz9 h VAL 105 N -0.39 0.72 -0.13 2.57 2.07 -0.76 0.15 116.25 120.48 3kz9 h VAL 105 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kz9 h VAL 105 Cb 0.39 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3kz9 h VAL 105 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3kz9 n GLN 106 N -4.27 1.41 -3.44 1.57 6.02 -0.07 -4.94 117.38 113.66 3kz9 n GLN 106 Ca 0.06 -0.62 -0.19 0.00 -0.01 0.00 0.00 57.00 56.24 3kz9 n GLN 106 Cb 0.47 -1.25 0.03 0.00 1.02 0.00 0.00 30.24 30.51 3kz9 n GLN 106 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kz9 n ASP 107 N -0.08 -6.22 -4.55 1.08 4.64 0.04 -4.93 116.55 106.52 3kz9 n ASP 107 Ca 0.11 -0.69 -0.43 0.00 -1.38 0.00 0.00 54.79 52.40 3kz9 n ASP 107 Cb 0.18 -4.03 -0.05 0.00 -1.04 0.00 0.00 41.12 36.19 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 -3.25 6.46 0.17 1.67 0.01 -0.94 -4.95 114.94 114.11 3kz9 s ASN 108 Ca 0.27 0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 52.32 3kz9 s ASN 108 Cb -0.08 -2.40 0.07 0.00 0.41 0.00 0.00 41.25 39.25 3kz9 s ASN 108 CO 0.81 -0.92 1.79 0.45 -1.51 0.00 0.00 177.10 177.72 3kz9 h HIS 109 N 8.92 0.75 -0.84 2.20 3.86 -1.91 -2.28 115.15 125.85 3kz9 h HIS 109 Ca -0.25 -0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3kz9 h HIS 109 Cb 1.08 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 29.26 3kz9 h HIS 109 CO 0.82 0.54 0.55 0.11 0.86 0.00 0.00 177.93 180.80 3kz9 h TRP 110 N 0.75 0.95 -0.27 2.45 5.08 -1.92 -2.10 115.95 120.89 3kz9 h TRP 110 Ca 0.20 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 60.04 3kz9 h TRP 110 Cb 0.02 -0.31 -0.00 0.00 -3.00 0.00 0.00 29.16 25.87 3kz9 h TRP 110 CO -0.02 0.51 -0.40 1.25 -1.28 0.00 0.00 178.44 178.49 3kz9 h LEU 111 N 0.94 0.82 -1.16 0.11 5.85 -1.81 0.49 115.31 120.56 3kz9 h LEU 111 Ca 0.36 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3kz9 h LEU 111 Cb 0.20 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3kz9 h LEU 111 CO -0.13 1.18 0.50 0.50 -0.34 0.00 0.00 178.44 180.15 3kz9 h LYS 112 N 0.49 1.07 -0.07 1.25 3.64 -1.18 -1.35 116.57 120.42 3kz9 h LYS 112 Ca 0.03 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3kz9 h LYS 112 Cb 1.00 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3kz9 h LYS 112 CO 0.09 0.73 -0.14 0.28 -2.27 0.00 0.00 179.45 178.15 3kz9 h VAL 113 N 1.09 1.41 -0.29 2.00 2.07 -1.20 -2.31 116.25 119.03 3kz9 h VAL 113 Ca 0.29 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3kz9 h VAL 113 Cb -0.08 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.84 3kz9 h VAL 113 CO -0.06 0.40 -0.07 -0.25 0.02 0.00 0.00 177.57 177.61 3kz9 h TRP 114 N -0.27 -0.16 0.12 1.57 7.01 -0.73 -0.53 115.95 122.96 3kz9 h TRP 114 Ca 0.00 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3kz9 h TRP 114 Cb 0.72 0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 3kz9 h TRP 114 CO 0.11 -0.13 -0.13 0.74 -2.79 0.00 0.00 178.44 176.25 3kz9 h PHE 115 N -0.00 -0.34 -0.86 2.65 0.04 -1.27 0.19 116.94 117.33 3kz9 h PHE 115 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 3kz9 h PHE 115 Cb 0.21 0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3kz9 h PHE 115 CO -0.28 -0.20 0.44 0.93 -0.60 0.00 0.00 178.31 178.59 3kz9 h GLU 116 N -0.28 1.22 -0.15 1.51 4.39 -1.24 -2.35 114.58 117.68 3kz9 h GLU 116 Ca 0.01 -0.17 -0.17 0.00 0.34 0.00 0.00 59.36 59.38 3kz9 h GLU 116 Cb 0.28 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3kz9 h GLU 116 CO -0.05 0.92 -0.60 -1.49 -1.16 0.00 0.00 179.01 176.64 3kz9 h TRP 117 N 1.22 0.63 0.00 4.33 4.06 -0.96 -2.24 115.95 122.99 3kz9 h TRP 117 Ca 0.30 -0.24 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 3kz9 h TRP 117 Cb 0.08 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 3kz9 h TRP 117 CO 0.01 0.97 -0.01 0.66 -3.56 0.00 0.00 178.44 176.51 3kz9 h SER 118 N 0.37 0.00 -0.43 -3.49 4.64 -0.59 -2.42 113.55 111.64 3kz9 h SER 118 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kz9 h SER 118 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3kz9 h SER 118 CO 0.11 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3kz9 n ALA 119 N -2.36 2.33 -1.77 5.18 0.00 -0.92 -5.02 120.51 117.95 3kz9 n ALA 119 Ca -0.03 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 51.93 3kz9 n ALA 119 Cb 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.12 6.15 0.00 0.00 0.15 -0.87 -4.93 113.70 113.08 3kz9 s SER 120 Ca 0.33 2.75 0.10 0.00 0.70 0.00 0.00 55.95 59.83 3kz9 s SER 120 Cb 0.18 -2.64 0.16 0.00 -1.71 0.00 0.00 66.02 62.01 3kz9 s SER 120 CO 0.25 -0.97 1.00 0.35 1.20 0.00 0.00 173.24 175.06 3kz9 n THR 121 N 0.01 0.44 -2.35 6.45 -2.24 -1.26 -4.68 114.28 110.65 3kz9 n THR 121 Ca 0.04 -0.72 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 3kz9 n THR 121 Cb 0.43 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.90 4.20 0.47 -0.78 1.81 -1.26 -4.91 118.95 117.58 3kz9 s ARG 122 Ca 0.16 1.74 0.27 0.00 -1.72 0.00 0.00 55.73 56.17 3kz9 s ARG 122 Cb 0.09 -3.81 1.45 0.00 -0.45 0.00 0.00 34.95 32.23 3kz9 s ARG 122 CO 0.13 -0.76 1.79 -0.44 -0.68 0.00 0.00 175.30 175.35 3kz9 h ASP 123 N 8.51 0.00 -0.40 0.23 3.45 -2.01 -1.07 116.42 125.13 3kz9 h ASP 123 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3kz9 h ASP 123 Cb 1.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.89 3kz9 h ASP 123 CO 0.97 0.00 0.00 -1.84 -1.57 0.00 0.00 179.24 176.80 3kz9 n GLU 124 N -2.52 2.22 0.01 3.56 0.00 -1.26 -4.38 120.64 118.27 3kz9 n GLU 124 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 57.16 55.28 3kz9 n GLU 124 Cb 0.18 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.17 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 1.04 0.26 -0.24 3.84 0.31 -0.46 -4.82 118.33 118.26 3kz9 n VAL 125 Ca 0.18 0.09 -0.08 0.00 -0.01 0.00 0.00 64.34 64.52 3kz9 n VAL 125 Cb 0.48 -1.44 0.04 0.00 -0.91 0.00 0.00 33.84 32.00 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 1.17 -0.60 3.52 5.08 -1.65 -1.36 115.95 122.11 3kz9 h TRP 126 Ca 0.00 -0.15 0.10 0.00 1.08 0.00 0.00 58.89 59.91 3kz9 h TRP 126 Cb 0.71 -0.32 -0.07 0.00 -3.00 0.00 0.00 29.16 26.48 3kz9 h TRP 126 CO 0.00 0.97 0.22 -1.35 -1.28 0.00 0.00 178.44 177.00 3kz9 h PRO 127 N 1.03 0.38 -0.12 0.12 0.11 -1.84 -0.13 132.00 131.55 3kz9 h PRO 127 Ca 0.21 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 3kz9 h PRO 127 Cb 0.41 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 3kz9 h PRO 127 CO 0.01 0.25 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.66 3kz9 h LEU 128 N 0.39 0.24 0.20 2.35 3.38 -1.79 -1.90 115.31 118.19 3kz9 h LEU 128 Ca 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kz9 h LEU 128 Cb 0.39 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kz9 h LEU 128 CO -0.31 0.56 -0.10 0.15 0.09 0.00 0.00 178.44 178.83 3kz9 h PHE 129 N 0.21 -0.25 -0.39 1.13 3.57 -0.30 -1.17 116.94 119.74 3kz9 h PHE 129 Ca 0.03 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3kz9 h PHE 129 Cb 0.68 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3kz9 h PHE 129 CO 0.01 -0.11 0.20 0.28 -2.23 0.00 0.00 178.31 176.46 3kz9 h VAL 130 N -0.33 0.98 -0.04 1.41 2.07 -0.72 0.25 116.25 119.87 3kz9 h VAL 130 Ca -0.03 -0.14 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 3kz9 h VAL 130 Cb 0.25 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3kz9 h VAL 130 CO 0.05 0.07 -0.81 0.71 0.02 0.00 0.00 177.57 177.61 3kz9 h THR 131 N 0.40 1.40 -0.12 2.57 1.35 -1.37 -3.12 112.91 114.02 3kz9 h THR 131 Ca 0.16 -2.29 -0.22 0.00 -0.55 0.00 0.00 66.41 63.52 3kz9 h THR 131 Cb 0.07 2.25 0.01 0.00 -1.73 0.00 0.00 68.15 68.74 3kz9 h THR 131 CO -0.11 0.68 -0.78 0.74 -0.25 0.00 0.00 175.52 175.80 3kz9 h THR 132 N 0.24 1.29 -0.00 6.82 2.02 -0.93 -3.22 112.91 119.13 3kz9 h THR 132 Ca -0.05 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.13 3kz9 h THR 132 Cb 1.41 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 3kz9 h THR 132 CO 0.14 0.63 0.00 -3.20 0.37 0.00 0.00 175.52 173.46 3kz9 n ASN 133 N -3.97 0.00 -0.34 4.18 5.15 0.86 -4.39 115.26 116.75 3kz9 n ASN 133 Ca -0.08 -1.21 0.11 0.00 -0.60 0.00 0.00 54.58 52.80 3kz9 n ASN 133 Cb 0.75 -0.00 0.31 0.00 -0.53 0.00 0.00 39.78 40.30 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 0.81 -0.52 1.20 9.65 -1.56 -1.53 114.38 122.44 3kz9 h ARG 134 Ca 0.00 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.73 3kz9 h ARG 134 Cb 0.00 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 3kz9 h ARG 134 CO 0.00 0.54 -0.09 1.15 2.80 0.00 0.00 179.97 184.37 3kz9 h THR 135 N 0.83 1.27 -0.48 0.20 2.02 -1.86 -0.41 112.91 114.48 3kz9 h THR 135 Ca 0.53 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.52 3kz9 h THR 135 Cb 0.73 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3kz9 h THR 135 CO -0.30 0.43 0.25 0.78 0.37 0.00 0.00 175.52 177.05 3kz9 h ASN 136 N 0.84 0.37 -0.04 4.18 2.35 -1.63 -1.52 115.58 120.13 3kz9 h ASN 136 Ca 0.14 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3kz9 h ASN 136 Cb 0.64 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3kz9 h ASN 136 CO 0.04 0.26 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.46 3kz9 h GLN 137 N 0.49 -0.01 -0.95 0.81 5.75 -1.16 -2.25 115.11 117.79 3kz9 h GLN 137 Ca 0.21 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 3kz9 h GLN 137 Cb 0.10 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.58 3kz9 h GLN 137 CO -0.14 -0.01 0.60 -0.07 -2.65 0.00 0.00 178.83 176.56 3kz9 h LEU 138 N -0.01 0.94 -0.56 -2.39 3.38 -0.98 -0.31 115.31 115.38 3kz9 h LEU 138 Ca 0.02 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3kz9 h LEU 138 Cb 0.04 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3kz9 h LEU 138 CO -0.04 0.58 0.33 0.25 0.09 0.00 0.00 178.44 179.65 3kz9 h LEU 139 N 1.06 0.54 -0.20 1.67 5.85 -1.02 0.38 115.31 123.59 3kz9 h LEU 139 Ca 0.42 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.05 3kz9 h LEU 139 Cb 0.23 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 3kz9 h LEU 139 CO -0.19 0.38 -0.24 0.58 -0.34 0.00 0.00 178.44 178.63 3kz9 h VAL 140 N 0.66 1.33 -0.71 1.05 2.07 -1.01 -2.94 116.25 116.70 3kz9 h VAL 140 Ca 0.22 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.33 3kz9 h VAL 140 Cb 0.03 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3kz9 h VAL 140 CO -0.10 0.43 0.45 1.56 0.02 0.00 0.00 177.57 179.94 3kz9 h GLN 141 N 0.19 0.94 -1.70 1.57 4.20 -0.82 -2.39 115.11 117.10 3kz9 h GLN 141 Ca 0.03 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kz9 h GLN 141 Cb 0.80 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.37 3kz9 h GLN 141 CO 0.06 0.63 0.00 -1.71 -0.67 0.00 0.00 178.83 177.14 3kz9 n ASN 142 N -4.42 0.26 0.00 1.46 5.15 0.13 -1.02 115.26 116.82 3kz9 n ASN 142 Ca 0.07 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 3kz9 n ASN 142 Cb 0.05 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3kz9 n ASN 142 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3kz9 n PHE 144 N 0.90 0.00 -0.09 1.20 3.72 -0.90 -1.43 117.46 120.86 3kz9 n PHE 144 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3kz9 n PHE 144 Cb 0.04 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.98 -0.39 4.37 2.04 -1.36 0.13 117.51 123.27 3kz9 h ILE 145 Ca 0.00 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3kz9 h ILE 145 Cb 0.00 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3kz9 h ILE 145 CO 0.00 0.06 0.13 0.11 0.00 0.00 0.00 178.15 178.45 3kz9 h LYS 146 N 0.31 0.60 -0.38 2.37 6.56 -1.52 0.13 116.57 124.65 3kz9 h LYS 146 Ca 0.13 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3kz9 h LYS 146 Cb 0.05 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 3kz9 h LYS 146 CO -0.10 0.59 0.23 0.00 -2.06 0.00 0.00 179.45 178.11 3kz9 h ALA 147 N 0.97 1.69 -0.17 3.86 0.00 -1.70 -0.61 119.26 123.31 3kz9 h ALA 147 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3kz9 h ALA 147 Cb 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kz9 h ALA 147 CO -0.01 0.27 -0.12 0.82 0.00 0.00 0.00 179.25 180.21 3kz9 h ILE 148 N 0.51 1.33 -0.04 0.00 2.04 -0.35 0.24 117.51 121.23 3kz9 h ILE 148 Ca 0.14 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.78 3kz9 h ILE 148 Cb -0.02 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3kz9 h ILE 148 CO -0.03 0.37 0.04 -0.33 0.00 0.00 0.00 178.15 178.20 3kz9 h GLU 149 N 0.04 0.00 -0.29 2.37 5.08 0.05 -0.83 114.58 121.01 3kz9 h GLU 149 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3kz9 h GLU 149 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3kz9 h GLU 149 CO 0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.58 3kz9 n ARG 150 N -4.12 2.07 -1.58 2.33 1.74 -0.31 -4.93 116.66 111.85 3kz9 n ARG 150 Ca -0.02 -1.62 -0.11 0.00 -0.77 0.00 0.00 57.85 55.33 3kz9 n ARG 150 Cb 0.13 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.29 0.81 0.09 -0.13 0.00 -0.32 -4.91 105.19 102.02 3kz9 n GLY 151 Ca 0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3kz9 n GLY 151 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kz9 n GLU 152 N -2.49 0.64 -4.96 1.61 1.02 0.04 -4.49 120.64 112.02 3kz9 n GLU 152 Ca -0.11 0.21 -0.27 0.00 -0.02 0.00 0.00 57.16 56.97 3kz9 n GLU 152 Cb 0.42 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 29.96 3kz9 n GLU 152 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kz9 s VAL 153 N -2.62 1.59 0.20 2.62 1.01 -0.99 -1.23 120.40 120.97 3kz9 s VAL 153 Ca -0.06 -0.82 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 3kz9 s VAL 153 Cb 0.08 -1.35 -0.13 0.00 0.00 0.00 0.00 36.38 34.98 3kz9 s VAL 153 CO 0.83 0.45 1.67 0.00 0.00 0.00 0.00 175.10 178.05 3kz9 n ASP 155 N 3.72 0.00 0.22 0.00 3.85 -1.26 -2.43 116.55 120.65 3kz9 n ASP 155 Ca 0.16 0.33 0.15 0.00 -0.71 0.00 0.00 54.79 54.72 3kz9 n ASP 155 Cb 0.33 -0.41 0.57 0.00 -1.35 0.00 0.00 41.12 40.26 3kz9 n ASP 155 CO 0.00 0.00 0.00 0.06 -1.01 0.00 0.00 177.20 176.25 3kz9 h GLN 156 N 0.00 0.00 -5.67 0.11 3.07 -1.98 -3.44 115.11 107.20 3kz9 h GLN 156 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 58.16 3kz9 h GLN 156 Cb 0.19 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.66 3kz9 h GLN 156 CO 0.00 0.00 -0.07 -1.01 0.09 0.00 0.00 178.83 177.84 3kz9 s HIS 157 N -3.49 3.45 0.19 0.06 3.76 -1.02 -5.06 115.29 113.19 3kz9 s HIS 157 Ca 0.03 0.87 -0.30 0.00 -0.15 0.00 0.00 55.06 55.51 3kz9 s HIS 157 Cb 0.09 -2.63 -0.09 0.00 1.11 0.00 0.00 32.58 31.06 3kz9 s HIS 157 CO 0.51 0.04 1.32 1.21 -0.85 0.00 0.00 174.74 176.98 3kz9 s ASN 158 N 0.87 6.88 0.38 1.40 3.84 -1.26 -4.93 114.94 122.12 3kz9 s ASN 158 Ca 0.26 2.40 0.06 0.00 0.21 0.00 0.00 52.86 55.80 3kz9 s ASN 158 Cb -0.15 -2.61 0.78 0.00 -0.55 0.00 0.00 41.25 38.72 3kz9 s ASN 158 CO 0.10 -0.55 2.00 -0.65 -2.79 0.00 0.00 177.10 175.21 3kz9 h PRO 159 N 5.50 0.67 0.13 0.43 0.11 -1.94 -1.07 132.00 135.82 3kz9 h PRO 159 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3kz9 h PRO 159 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kz9 h PRO 159 CO 0.78 0.44 -0.06 1.49 -0.21 0.00 0.00 178.00 180.44 3kz9 h GLU 160 N 0.69 -0.16 -0.41 1.05 4.81 -1.92 -1.25 114.58 117.39 3kz9 h GLU 160 Ca 0.25 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 3kz9 h GLU 160 Cb 0.14 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3kz9 h GLU 160 CO -0.07 0.01 0.04 -0.44 -0.73 0.00 0.00 179.01 177.82 3kz9 h ASP 161 N -0.30 -0.08 -0.43 1.04 3.32 -1.91 -0.73 116.42 117.33 3kz9 h ASP 161 Ca -0.02 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.20 3kz9 h ASP 161 Cb 0.24 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 3kz9 h ASP 161 CO 0.03 -0.00 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.38 3kz9 h LEU 162 N 0.16 -0.37 -0.81 1.55 3.38 -1.17 -0.43 115.31 117.62 3kz9 h LEU 162 Ca 0.20 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 3kz9 h LEU 162 Cb 0.27 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kz9 h LEU 162 CO -0.30 -0.13 -0.08 0.00 0.09 0.00 0.00 178.44 178.02 3kz9 h ALA 163 N 1.42 1.00 -0.13 1.53 0.00 -0.93 -1.87 119.26 120.28 3kz9 h ALA 163 Ca 0.21 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 3kz9 h ALA 163 Cb 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kz9 h ALA 163 CO -0.43 0.60 -0.69 -0.91 0.00 0.00 0.00 179.25 177.83 3kz9 h ASN 164 N 0.74 0.83 -0.38 0.00 2.35 -0.89 -1.04 115.58 117.18 3kz9 h ASN 164 Ca 0.13 -0.64 0.03 0.00 -0.55 0.00 0.00 56.30 55.27 3kz9 h ASN 164 Cb 0.56 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3kz9 h ASN 164 CO 0.03 1.33 0.18 0.25 -1.65 0.00 0.00 177.43 177.57 3kz9 h LEU 165 N 0.38 0.25 -0.51 1.61 5.85 -1.08 -0.57 115.31 121.23 3kz9 h LEU 165 Ca -0.05 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3kz9 h LEU 165 Cb 1.33 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3kz9 h LEU 165 CO 0.14 0.18 0.30 0.15 -0.34 0.00 0.00 178.44 178.87 3kz9 h PHE 166 N 0.36 0.68 -0.35 1.25 3.57 -1.28 -0.70 116.94 120.48 3kz9 h PHE 166 Ca 0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3kz9 h PHE 166 Cb 0.09 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3kz9 h PHE 166 CO -0.11 0.49 0.19 1.25 -2.23 0.00 0.00 178.31 177.90 3kz9 h HIS 167 N 0.68 0.35 -0.94 0.41 2.76 -1.03 -0.66 115.15 116.72 3kz9 h HIS 167 Ca 0.18 0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.46 3kz9 h HIS 167 Cb 0.01 -0.11 -0.08 0.00 1.55 0.00 0.00 27.41 28.79 3kz9 h HIS 167 CO -0.02 0.20 0.58 0.78 -1.30 0.00 0.00 177.93 178.17 3kz9 h GLY 168 N 0.39 1.48 0.84 5.26 0.00 -0.54 0.41 103.07 110.91 3kz9 h GLY 168 Ca 0.14 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3kz9 h GLY 168 CO -0.08 0.20 0.03 -2.22 0.00 0.00 0.00 176.54 174.47 3kz9 h ILE 169 N 0.97 1.22 -0.46 2.60 2.04 -0.91 -1.99 117.51 120.99 3kz9 h ILE 169 Ca 0.44 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3kz9 h ILE 169 Cb 0.35 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3kz9 h ILE 169 CO -0.23 0.22 0.11 0.00 0.00 0.00 0.00 178.15 178.25 3kz9 h TYR 171 N 0.61 0.14 -0.27 0.00 3.20 -0.17 0.13 116.97 120.61 3kz9 h TYR 171 Ca 0.14 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3kz9 h TYR 171 Cb 0.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3kz9 h TYR 171 CO 0.02 0.01 0.16 1.03 -1.64 0.00 0.00 178.16 177.74 3kz9 h SER 172 N 0.22 0.25 -0.47 -2.11 0.87 -1.24 -0.83 113.55 110.24 3kz9 h SER 172 Ca 0.20 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 3kz9 h SER 172 Cb 0.25 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 3kz9 h SER 172 CO -0.26 0.19 0.20 -0.07 -0.53 0.00 0.00 176.83 176.35 3kz9 h LEU 173 N 0.32 0.24 -0.23 2.23 3.38 -0.80 -2.48 115.31 117.98 3kz9 h LEU 173 Ca 0.11 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.17 3kz9 h LEU 173 Cb -0.00 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3kz9 h LEU 173 CO -0.05 0.17 -0.08 0.15 0.09 0.00 0.00 178.44 178.72 3kz9 h PHE 174 N 0.39 -0.18 -0.55 1.13 3.57 -0.32 0.23 116.94 121.21 3kz9 h PHE 174 Ca 0.22 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3kz9 h PHE 174 Cb 0.19 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 38.97 3kz9 h PHE 174 CO -0.13 -0.13 0.14 0.28 -2.23 0.00 0.00 178.31 176.24 3kz9 h VAL 175 N -0.04 0.71 -0.06 1.41 2.07 -0.97 -2.62 116.25 116.76 3kz9 h VAL 175 Ca 0.12 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.36 3kz9 h VAL 175 Cb 0.21 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3kz9 h VAL 175 CO -0.26 0.05 -0.73 1.56 0.02 0.00 0.00 177.57 178.21 3kz9 h GLN 176 N 0.29 0.34 -0.15 1.57 4.20 -1.08 -2.85 115.11 117.43 3kz9 h GLN 176 Ca 0.28 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.75 3kz9 h GLN 176 Cb 0.38 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3kz9 h GLN 176 CO -0.34 0.93 0.16 0.00 -0.67 0.00 0.00 178.83 178.91 3kz9 h ALA 177 N 0.99 1.76 -0.00 3.87 0.00 -0.22 -2.08 119.26 123.59 3kz9 h ALA 177 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kz9 h ALA 177 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kz9 h ALA 177 CO 0.12 -0.24 -0.14 0.09 0.00 0.00 0.00 179.25 179.08 3kz9 n ASN 178 N -3.83 0.19 -0.00 0.00 3.02 -1.02 -4.01 115.26 109.60 3kz9 n ASN 178 Ca 0.01 0.13 0.07 0.00 -0.03 0.00 0.00 54.58 54.76 3kz9 n ASN 178 Cb 0.28 -0.24 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 3kz9 n ASN 178 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kz9 n ARG 179 N -1.42 1.49 -4.16 3.52 1.74 -0.79 -4.99 116.66 112.05 3kz9 n ARG 179 Ca 0.08 -0.06 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 3kz9 n ARG 179 Cb 0.32 -1.25 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.64 0.91 -0.16 0.55 -1.32 -1.16 -5.04 115.64 106.78 3kz9 s THR 180 Ca 0.01 -1.55 0.16 0.00 -1.21 0.00 0.00 61.69 59.10 3kz9 s THR 180 Cb 0.10 -1.25 -0.24 0.00 -1.51 0.00 0.00 72.50 69.61 3kz9 s THR 180 CO 0.60 -0.51 0.42 0.59 -2.21 0.00 0.00 174.62 173.51 3kz9 n ASN 181 N 0.73 1.19 -4.59 8.08 3.02 -1.26 -4.85 115.26 117.58 3kz9 n ASN 181 Ca -0.17 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 53.79 3kz9 n ASN 181 Cb 0.57 1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 41.31 3kz9 n ASN 181 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3kz9 s ASN 182 N -3.59 5.63 0.12 6.41 3.84 -1.26 -4.87 114.94 121.22 3kz9 s ASN 182 Ca -0.04 1.25 0.25 0.00 0.21 0.00 0.00 52.86 54.54 3kz9 s ASN 182 Cb 0.11 -2.52 0.95 0.00 -0.55 0.00 0.00 41.25 39.24 3kz9 s ASN 182 CO 0.67 -1.93 1.77 0.35 -2.79 0.00 0.00 177.10 175.17 3kz9 n THR 183 N 7.49 0.50 0.12 -5.21 -2.24 -1.26 -2.25 114.28 111.43 3kz9 n THR 183 Ca 0.25 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.77 3kz9 n THR 183 Cb 0.48 -0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 3kz9 n THR 183 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kz9 h ALA 184 N 2.63 -0.05 -0.24 6.98 0.00 -1.99 -2.83 119.26 123.77 3kz9 h ALA 184 Ca 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 53.96 3kz9 h ALA 184 Cb 0.53 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kz9 h ALA 184 CO 0.00 0.82 0.13 1.49 0.00 0.00 0.00 179.25 181.69 3kz9 h GLU 185 N 0.13 0.33 -0.45 0.00 4.81 -1.93 -2.69 114.58 114.79 3kz9 h GLU 185 Ca -0.27 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 3kz9 h GLU 185 Cb 2.14 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.43 3kz9 h GLU 185 CO 0.24 0.30 0.06 -0.07 -0.73 0.00 0.00 179.01 178.81 3kz9 h LEU 186 N 0.28 0.72 -0.51 1.64 3.38 -1.58 -1.29 115.31 117.96 3kz9 h LEU 186 Ca 0.08 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kz9 h LEU 186 Cb 0.07 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3kz9 h LEU 186 CO -0.01 0.81 0.26 0.28 0.09 0.00 0.00 178.44 179.87 3kz9 h SER 187 N 0.61 0.38 -0.34 -0.43 0.02 -1.51 0.20 113.55 112.48 3kz9 h SER 187 Ca 0.13 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3kz9 h SER 187 Cb 0.41 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3kz9 h SER 187 CO 0.01 0.27 0.01 0.11 -1.14 0.00 0.00 176.83 176.09 3kz9 h LYS 188 N 0.51 0.69 -0.03 3.45 1.57 -1.25 -1.06 116.57 120.45 3kz9 h LYS 188 Ca 0.22 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kz9 h LYS 188 Cb 0.12 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kz9 h LYS 188 CO -0.15 0.70 0.01 1.25 -0.57 0.00 0.00 179.45 180.68 3kz9 h LEU 189 N 0.65 0.05 -0.70 2.94 5.85 -0.68 -0.99 115.31 122.43 3kz9 h LEU 189 Ca 0.13 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.69 3kz9 h LEU 189 Cb 0.39 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3kz9 h LEU 189 CO 0.01 0.29 0.34 0.58 -0.34 0.00 0.00 178.44 179.33 3kz9 h VAL 190 N -0.20 0.84 0.19 1.05 2.07 -0.36 -1.86 116.25 117.98 3kz9 h VAL 190 Ca 0.01 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kz9 h VAL 190 Cb 0.26 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3kz9 h VAL 190 CO 0.00 0.11 -0.09 0.28 0.02 0.00 0.00 177.57 177.89 3kz9 h SER 191 N 0.59 -0.21 -0.72 0.57 0.02 -1.03 -1.34 113.55 111.42 3kz9 h SER 191 Ca 0.35 -0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.43 3kz9 h SER 191 Cb 0.36 0.05 -0.11 0.00 0.14 0.00 0.00 62.40 62.85 3kz9 h SER 191 CO -0.27 -0.11 0.14 0.28 -1.14 0.00 0.00 176.83 175.73 3kz9 h SER 192 N -0.29 -0.05 0.22 3.07 0.02 -0.88 0.21 113.55 115.85 3kz9 h SER 192 Ca -0.03 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3kz9 h SER 192 Cb 0.23 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3kz9 h SER 192 CO 0.04 -0.06 -0.10 1.88 -1.14 0.00 0.00 176.83 177.45 3kz9 h TYR 193 N 0.24 -0.27 -0.28 3.45 0.99 -1.12 -3.27 116.97 116.70 3kz9 h TYR 193 Ca 0.40 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 61.01 3kz9 h TYR 193 Cb 0.69 0.09 -0.01 0.00 1.00 0.00 0.00 36.73 38.50 3kz9 h TYR 193 CO -0.29 0.06 -0.31 -0.07 -0.00 0.00 0.00 178.16 177.56 3kz9 h LEU 194 N -0.64 0.60 -4.69 3.88 3.38 -1.00 -3.29 115.31 113.55 3kz9 h LEU 194 Ca -0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 3kz9 h LEU 194 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kz9 h LEU 194 CO 0.05 0.87 0.25 0.47 0.09 0.00 0.00 178.44 180.17 3kz9 n ASP 195 N -4.08 1.39 -1.49 -0.43 8.00 0.72 -4.85 116.55 115.81 3kz9 n ASP 195 Ca -0.01 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3kz9 n ASP 195 Cb 0.46 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 2.82 0.00 -3.72 0.64 4.77 -1.24 -5.06 117.00 115.21 3kz9 n LEU 197 Ca 0.11 0.78 -0.35 0.00 -0.03 0.00 0.00 56.01 56.52 3kz9 n LEU 197 Cb 0.24 -1.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 3kz9 n LEU 197 CO 0.21 -1.01 0.63 0.00 -1.33 0.00 0.00 177.39 175.89 3kz9 n ILE 199 N 1.07 0.00 -3.52 0.00 -5.35 -1.26 -5.01 119.36 105.29 3kz9 n ILE 199 Ca 0.28 -0.42 -0.31 0.00 -0.27 0.00 0.00 62.75 62.03 3kz9 n ILE 199 Cb 0.37 1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.27 3.45 0.23 4.28 2.02 -1.26 -0.54 117.35 124.26 3kz9 s TYR 200 Ca 0.10 0.69 -0.02 0.00 -0.37 0.00 0.00 57.07 57.47 3kz9 s TYR 200 Cb 0.09 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3kz9 s TYR 200 CO 0.23 0.33 0.43 0.15 -1.57 0.00 0.00 175.55 175.12 3kz9 s LYS 201 N -2.86 3.55 0.26 -0.62 1.02 -0.37 -4.60 119.74 116.13 3kz9 s LYS 201 Ca 0.44 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 3kz9 s LYS 201 Cb -0.11 -2.79 -0.12 0.00 -0.52 0.00 0.00 37.83 34.28 3kz9 s LYS 201 CO 0.24 0.35 1.53 -2.13 -0.92 0.00 0.00 175.35 174.42 3kz9 n ARG 202 N -0.75 2.45 -2.63 1.68 0.63 -1.26 -4.88 116.66 111.90 3kz9 n ARG 202 Ca -0.04 0.87 -0.43 0.00 -0.92 0.00 0.00 57.85 57.33 3kz9 n ARG 202 Cb 0.54 -2.61 -0.02 0.00 0.45 0.00 0.00 32.46 30.82 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 -0.33 4.01 0.37 -0.14 -1.05 -1.26 -5.01 118.70 115.29 3kz9 s GLU 203 Ca 0.67 0.99 0.07 0.00 -0.15 0.00 0.00 54.97 56.55 3kz9 s GLU 203 Cb -0.56 -3.76 -0.01 0.00 -0.44 0.00 0.00 34.13 29.36 3kz9 s GLU 203 CO 0.48 -0.97 0.43 -1.01 0.95 0.00 0.00 175.26 175.13 3kz9 s HIS 204 N 3.77 2.92 -2.00 4.83 3.76 -1.26 -5.27 115.29 122.04 3kz9 s HIS 204 Ca 0.46 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 55.05 3kz9 s HIS 204 Cb -0.11 -2.06 0.07 0.00 1.11 0.00 0.00 32.58 31.59 3kz9 s HIS 204 CO 0.18 -0.07 0.56 0.39 -0.85 0.00 0.00 174.74 174.95