#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz9 s LYS 6 N 0.00 4.69 0.21 0.00 1.02 -1.26 -4.90 119.74 119.51 3kz9 s LYS 6 Ca 0.00 1.72 -0.30 0.00 0.02 0.00 0.00 55.97 57.42 3kz9 s LYS 6 Cb 0.00 -3.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.02 3kz9 s LYS 6 CO 0.00 0.29 1.08 0.50 -0.92 0.00 0.00 175.35 176.30 3kz9 s ARG 7 N -1.39 4.64 0.33 1.68 6.06 0.19 -5.00 118.95 125.45 3kz9 s ARG 7 Ca 0.44 1.72 -0.29 0.00 -2.50 0.00 0.00 55.73 55.09 3kz9 s ARG 7 Cb -0.30 -3.25 -0.11 0.00 0.06 0.00 0.00 34.95 31.34 3kz9 s ARG 7 CO 0.39 0.16 1.53 -0.35 -2.50 0.00 0.00 175.30 174.53 3kz9 n PRO 8 N 1.92 2.65 -1.72 5.12 -0.04 -1.26 -4.66 135.00 137.01 3kz9 n PRO 8 Ca 0.01 0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 63.99 3kz9 n PRO 8 Cb 0.46 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 3kz9 n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3kz9 n ARG 9 N 1.40 2.19 -3.61 0.54 0.63 -1.26 -4.99 116.66 111.56 3kz9 n ARG 9 Ca 0.06 0.77 -0.12 0.00 -0.92 0.00 0.00 57.85 57.64 3kz9 n ARG 9 Cb 0.37 -2.44 -0.05 0.00 0.45 0.00 0.00 32.46 30.79 3kz9 n ARG 9 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3kz9 s THR 10 N -1.14 0.05 -0.21 5.15 -1.32 -1.26 -5.15 115.64 111.76 3kz9 s THR 10 Ca 0.57 -0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.59 3kz9 s THR 10 Cb -0.52 -1.05 -0.01 0.00 -1.51 0.00 0.00 72.50 69.41 3kz9 s THR 10 CO 0.61 -0.23 -0.05 -0.13 -2.21 0.00 0.00 174.62 172.61 3kz9 s ARG 11 N -3.16 3.39 0.04 7.08 0.52 -1.26 -5.10 118.95 120.45 3kz9 s ARG 11 Ca -0.01 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3kz9 s ARG 11 Cb 0.00 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.48 3kz9 s ARG 11 CO -0.07 -0.15 -0.07 -0.51 0.02 0.00 0.00 175.30 174.52 3kz9 s LEU 12 N 1.34 2.22 0.60 2.53 1.43 -1.26 -5.11 118.68 120.43 3kz9 s LEU 12 Ca 0.04 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.48 3kz9 s LEU 12 Cb -0.14 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 3kz9 s LEU 12 CO -0.02 -0.16 1.16 -0.94 0.23 0.00 0.00 176.35 176.61 3kz9 s SER 13 N -1.36 5.28 0.37 2.29 1.04 -1.26 -4.70 113.70 115.35 3kz9 s SER 13 Ca -0.08 2.24 0.14 0.00 0.48 0.00 0.00 55.95 58.73 3kz9 s SER 13 Cb -0.09 -2.58 0.97 0.00 0.10 0.00 0.00 66.02 64.42 3kz9 s SER 13 CO 0.00 -1.52 1.79 -0.65 0.98 0.00 0.00 173.24 173.84 3kz9 h PRO 14 N 0.75 0.51 -0.30 4.02 0.11 -2.01 -0.77 132.00 134.30 3kz9 h PRO 14 Ca -0.49 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 3kz9 h PRO 14 Cb 1.28 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kz9 h PRO 14 CO 0.55 0.34 -0.41 1.25 -0.21 0.00 0.00 178.00 179.52 3kz9 h LEU 15 N 0.52 0.79 -0.69 2.35 5.85 -1.99 -1.59 115.31 120.55 3kz9 h LEU 15 Ca 0.56 -0.36 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 3kz9 h LEU 15 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3kz9 h LEU 15 CO -0.30 1.09 -0.36 0.11 -0.34 0.00 0.00 178.44 178.64 3kz9 h LYS 16 N 0.60 0.60 -0.25 1.25 1.79 -1.56 -1.92 116.57 117.09 3kz9 h LYS 16 Ca 0.05 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.19 3kz9 h LYS 16 Cb 0.95 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.59 3kz9 h LYS 16 CO 0.09 0.88 0.01 -0.09 -1.08 0.00 0.00 179.45 179.25 3kz9 h ARG 17 N 0.51 0.44 -0.28 3.15 9.65 -1.20 -0.70 114.38 125.95 3kz9 h ARG 17 Ca 0.05 -0.13 0.05 0.00 -1.10 0.00 0.00 59.98 58.85 3kz9 h ARG 17 Cb 0.86 -0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 29.35 3kz9 h ARG 17 CO 0.07 0.60 -0.06 -0.22 2.80 0.00 0.00 179.97 183.15 3kz9 h LYS 18 N 0.22 0.00 -0.34 0.20 1.63 -1.24 0.15 116.57 117.19 3kz9 h LYS 18 Ca 0.07 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3kz9 h LYS 18 Cb 0.39 -0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.95 3kz9 h LYS 18 CO 0.01 0.00 -0.10 0.37 -3.45 0.00 0.00 179.45 176.29 3kz9 h GLN 19 N 0.00 -0.02 -0.52 1.90 4.15 -1.28 -2.53 115.11 116.83 3kz9 h GLN 19 Ca 0.13 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3kz9 h GLN 19 Cb 0.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3kz9 h GLN 19 CO -0.28 -0.01 0.34 0.37 -1.93 0.00 0.00 178.83 177.32 3kz9 h GLN 20 N -0.02 0.67 -1.82 1.69 4.15 -0.61 -2.29 115.11 116.89 3kz9 h GLN 20 Ca 0.17 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3kz9 h GLN 20 Cb 0.27 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3kz9 h GLN 20 CO -0.36 0.45 0.00 1.28 -1.93 0.00 0.00 178.83 178.26 3kz9 n LEU 21 N -4.73 1.29 0.00 -2.39 4.77 0.48 -1.78 117.00 114.64 3kz9 n LEU 21 Ca 0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3kz9 n LEU 21 Cb 0.02 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3kz9 n LEU 21 CO 0.35 0.23 0.00 -0.62 -1.33 0.00 0.00 177.39 176.02 3kz9 n GLU 23 N 1.28 0.00 -0.10 3.23 1.02 -0.86 -1.02 120.64 124.18 3kz9 n GLU 23 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 3kz9 n GLU 23 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 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 1.27 -0.76 -3.67 2.04 -1.63 -2.62 117.51 112.14 3kz9 h ILE 24 Ca 0.00 -1.64 0.05 0.00 1.00 0.00 0.00 64.86 64.26 3kz9 h ILE 24 Cb 0.00 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3kz9 h ILE 24 CO 0.00 0.54 0.50 0.00 0.00 0.00 0.00 178.15 179.19 3kz9 h ALA 25 N 0.72 1.60 -0.37 1.87 0.00 -1.34 0.44 119.26 122.18 3kz9 h ALA 25 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 3kz9 h ALA 25 Cb 1.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3kz9 h ALA 25 CO 0.11 0.30 -0.39 -0.07 0.00 0.00 0.00 179.25 179.20 3kz9 h LEU 26 N 0.87 0.95 -0.12 0.00 3.38 -1.77 0.11 115.31 118.74 3kz9 h LEU 26 Ca 0.31 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3kz9 h LEU 26 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3kz9 h LEU 26 CO -0.10 1.22 0.01 -0.08 0.09 0.00 0.00 178.44 179.58 3kz9 h GLU 27 N 0.73 0.20 -0.05 1.13 4.81 -1.10 0.18 114.58 120.48 3kz9 h GLU 27 Ca 0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3kz9 h GLU 27 Cb 0.97 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3kz9 h GLU 27 CO 0.09 0.42 -0.09 0.28 -0.73 0.00 0.00 179.01 178.97 3kz9 h VAL 28 N -0.05 0.74 -0.50 0.32 2.07 -0.74 -1.05 116.25 117.05 3kz9 h VAL 28 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3kz9 h VAL 28 Cb 0.32 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3kz9 h VAL 28 CO 0.00 0.00 0.17 -0.26 0.02 0.00 0.00 177.57 177.50 3kz9 h PHE 29 N -0.14 0.80 -0.02 1.57 0.04 -0.77 0.28 116.94 118.70 3kz9 h PHE 29 Ca 0.05 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3kz9 h PHE 29 Cb 0.21 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 3kz9 h PHE 29 CO -0.18 0.69 -0.10 0.00 -0.60 0.00 0.00 178.31 178.12 3kz9 h ALA 30 N 1.02 1.80 0.04 2.45 0.00 -0.49 0.21 119.26 124.28 3kz9 h ALA 30 Ca 0.16 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 3kz9 h ALA 30 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kz9 h ALA 30 CO -0.01 0.15 -1.68 0.54 0.00 0.00 0.00 179.25 178.25 3kz9 n ARG 31 N -4.40 0.64 -0.02 0.00 5.12 -0.41 -4.61 116.66 112.98 3kz9 n ARG 31 Ca -0.02 0.43 -0.05 0.00 -1.93 0.00 0.00 57.85 56.28 3kz9 n ARG 31 Cb 0.18 -1.70 -0.12 0.00 -1.16 0.00 0.00 32.46 29.66 3kz9 n ARG 31 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kz9 n ARG 32 N -4.05 0.64 0.00 5.56 1.74 0.96 -5.10 116.66 116.41 3kz9 n ARG 32 Ca -0.35 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3kz9 n ARG 32 Cb 0.84 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 1.52 2.88 0.29 -0.13 0.00 0.72 -4.61 105.19 105.85 3kz9 n GLY 33 Ca -0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 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 1.21 -0.00 -0.61 1.08 -1.92 -2.53 117.51 114.74 3kz9 h ILE 34 Ca 0.00 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 3kz9 h ILE 34 Cb 0.00 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3kz9 h ILE 34 CO 0.00 0.28 -0.00 0.61 -0.69 0.00 0.00 178.15 178.34 3kz9 n GLY 35 N -0.91 -1.35 0.40 5.37 0.00 -1.26 -4.33 105.19 103.12 3kz9 n GLY 35 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3kz9 n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kz9 n ARG 36 N -1.35 0.38 -2.00 1.61 5.12 -0.97 -5.04 116.66 114.40 3kz9 n ARG 36 Ca 0.12 0.15 -0.32 0.00 -1.93 0.00 0.00 57.85 55.88 3kz9 n ARG 36 Cb 0.27 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 3kz9 n ARG 36 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kz9 s GLY 37 N -5.36 1.84 0.00 -0.13 0.00 -1.10 -5.03 107.32 97.54 3kz9 s GLY 37 Ca -0.24 0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.56 3kz9 s GLY 37 CO 0.32 0.36 0.00 0.61 0.00 0.00 0.00 173.10 174.39 3kz9 n GLY 38 N -2.06 3.41 0.37 0.20 0.00 -1.26 -5.01 105.19 100.84 3kz9 n GLY 38 Ca 0.07 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 1.19 -0.06 1.61 3.86 -1.97 -2.68 115.15 117.09 3kz9 h HIS 39 Ca 0.00 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 3kz9 h HIS 39 Cb 0.00 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.06 3kz9 h HIS 39 CO 0.00 0.61 -0.04 0.00 0.86 0.00 0.00 177.93 179.36 3kz9 h ALA 40 N 1.45 0.01 -0.39 2.45 0.00 -1.96 0.12 119.26 120.94 3kz9 h ALA 40 Ca 0.43 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 3kz9 h ALA 40 Cb 0.17 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kz9 h ALA 40 CO -0.17 -0.52 -0.17 -0.44 0.00 0.00 0.00 179.25 177.95 3kz9 h ASP 41 N -0.05 0.74 0.01 0.00 3.32 -1.92 -1.26 116.42 117.27 3kz9 h ASP 41 Ca 0.04 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3kz9 h ASP 41 Cb 0.11 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kz9 h ASP 41 CO -0.09 0.92 -0.01 0.40 -1.72 0.00 0.00 179.24 178.74 3kz9 h ILE 42 N 0.66 1.30 -0.74 0.35 2.04 -1.31 -2.16 117.51 117.65 3kz9 h ILE 42 Ca 0.10 -0.96 0.15 0.00 1.00 0.00 0.00 64.86 65.16 3kz9 h ILE 42 Cb 0.66 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.59 3kz9 h ILE 42 CO 0.05 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.68 3kz9 h ALA 43 N 0.55 1.01 -0.51 1.87 0.00 -0.58 -0.93 119.26 120.67 3kz9 h ALA 43 Ca -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kz9 h ALA 43 Cb 0.42 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3kz9 h ALA 43 CO 0.00 -0.28 0.18 1.49 0.00 0.00 0.00 179.25 180.64 3kz9 h GLU 44 N 0.35 0.77 -0.05 0.00 4.81 -1.15 -1.21 114.58 118.10 3kz9 h GLU 44 Ca 0.42 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 59.30 3kz9 h GLU 44 Cb 0.68 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3kz9 h GLU 44 CO -0.46 0.70 -0.81 0.82 -0.73 0.00 0.00 179.01 178.53 3kz9 h ILE 45 N 0.68 1.39 0.00 2.32 2.04 -0.92 -3.13 117.51 119.89 3kz9 h ILE 45 Ca 0.17 -2.27 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 3kz9 h ILE 45 Cb 0.23 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3kz9 h ILE 45 CO -0.01 0.68 -0.14 0.00 0.00 0.00 0.00 178.15 178.68 3kz9 h ALA 46 N 0.87 0.93 -4.53 1.87 0.00 -1.21 0.53 119.26 117.72 3kz9 h ALA 46 Ca -0.05 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.57 3kz9 h ALA 46 Cb 1.41 -0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.31 3kz9 h ALA 46 CO 0.14 0.05 -0.52 1.04 0.00 0.00 0.00 179.25 179.96 3kz9 n GLN 47 N -3.07 -5.08 -4.48 0.00 6.02 -0.51 -4.74 117.38 105.53 3kz9 n GLN 47 Ca 0.03 0.60 -0.23 0.00 -0.01 0.00 0.00 57.00 57.39 3kz9 n GLN 47 Cb 0.55 -4.90 -0.10 0.00 1.02 0.00 0.00 30.24 26.81 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 -3.24 1.80 0.67 5.09 -7.23 -0.88 -4.99 120.40 111.62 3kz9 s VAL 48 Ca 0.16 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.04 3kz9 s VAL 48 Cb -0.07 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.30 3kz9 s VAL 48 CO 0.52 -0.22 1.18 -0.94 -0.31 0.00 0.00 175.10 175.33 3kz9 s SER 49 N -3.51 4.71 0.40 4.85 1.04 -1.26 -4.44 113.70 115.47 3kz9 s SER 49 Ca 0.31 2.28 0.07 0.00 0.48 0.00 0.00 55.95 59.09 3kz9 s SER 49 Cb 0.04 -2.58 0.83 0.00 0.10 0.00 0.00 66.02 64.42 3kz9 s SER 49 CO 0.14 -1.91 2.01 0.58 0.98 0.00 0.00 173.24 175.04 3kz9 h VAL 50 N 0.13 1.05 -0.91 5.02 2.07 -1.90 -2.25 116.25 119.46 3kz9 h VAL 50 Ca -0.48 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3kz9 h VAL 50 Cb 1.28 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3kz9 h VAL 50 CO 0.52 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.74 3kz9 h ALA 51 N 1.68 1.17 -0.21 1.67 0.00 -1.97 -1.93 119.26 119.68 3kz9 h ALA 51 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kz9 h ALA 51 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kz9 h ALA 51 CO -0.06 0.66 0.11 1.15 0.00 0.00 0.00 179.25 181.10 3kz9 h THR 52 N 1.27 1.12 -0.59 0.00 2.02 -1.78 -1.90 112.91 113.06 3kz9 h THR 52 Ca 0.32 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3kz9 h THR 52 Cb -0.00 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 3kz9 h THR 52 CO -0.06 0.12 0.30 0.58 0.37 0.00 0.00 175.52 176.83 3kz9 h VAL 53 N 0.22 0.92 0.00 3.16 2.07 -1.24 -0.80 116.25 120.58 3kz9 h VAL 53 Ca 0.07 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3kz9 h VAL 53 Cb 0.09 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3kz9 h VAL 53 CO -0.01 0.10 -0.04 -0.26 0.02 0.00 0.00 177.57 177.38 3kz9 h PHE 54 N 0.55 0.00 -0.79 1.57 0.04 -1.27 0.92 116.94 117.96 3kz9 h PHE 54 Ca 0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 3kz9 h PHE 54 Cb 0.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.32 3kz9 h PHE 54 CO -0.10 0.04 0.44 -0.97 -0.60 0.00 0.00 178.31 177.12 3kz9 h ASN 55 N 0.00 0.98 0.51 2.17 -1.24 -0.30 -2.74 115.58 114.96 3kz9 h ASN 55 Ca -0.00 -0.09 -0.29 0.00 0.71 0.00 0.00 56.30 56.63 3kz9 h ASN 55 Cb 0.31 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 3kz9 h ASN 55 CO 0.01 0.78 -1.59 1.88 -1.29 0.00 0.00 177.43 177.22 3kz9 h TYR 56 N 1.09 0.18 -2.90 0.67 0.05 -1.13 -3.41 116.97 111.52 3kz9 h TYR 56 Ca 0.28 -0.13 -0.61 0.00 0.05 0.00 0.00 58.73 58.31 3kz9 h TYR 56 Cb 0.01 -0.01 -0.41 0.00 1.01 0.00 0.00 36.73 37.34 3kz9 h TYR 56 CO 0.00 1.20 -0.69 -0.06 -1.05 0.00 0.00 178.16 177.56 3kz9 s PHE 57 N -2.61 2.81 0.49 4.88 0.08 0.23 -4.99 117.98 118.86 3kz9 s PHE 57 Ca -0.07 -3.01 0.29 0.00 0.12 0.00 0.00 56.93 54.26 3kz9 s PHE 57 Cb 0.08 -2.19 1.37 0.00 -0.57 0.00 0.00 43.02 41.71 3kz9 s PHE 57 CO 0.82 -0.64 1.81 -1.00 -0.10 0.00 0.00 175.22 176.11 3kz9 h PRO 58 N 5.59 0.14 -4.61 0.24 0.13 -1.73 -3.39 132.00 128.36 3kz9 h PRO 58 Ca 0.16 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 65.06 3kz9 h PRO 58 Cb 0.81 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 31.76 3kz9 h PRO 58 CO 0.61 0.09 -0.70 0.95 -0.23 0.00 0.00 178.00 178.73 3kz9 s THR 59 N -5.15 0.64 0.25 1.56 -4.23 -1.26 -4.97 115.64 102.48 3kz9 s THR 59 Ca -0.06 -1.85 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3kz9 s THR 59 Cb 0.24 -1.58 0.23 0.00 1.34 0.00 0.00 72.50 72.73 3kz9 s THR 59 CO 0.80 -0.84 1.80 -0.09 -0.54 0.00 0.00 174.62 175.75 3kz9 h ARG 60 N 3.11 0.76 -0.92 3.99 2.43 -2.01 -1.69 114.38 120.07 3kz9 h ARG 60 Ca -0.35 -0.05 0.10 0.00 -0.81 0.00 0.00 59.98 58.87 3kz9 h ARG 60 Cb 1.17 -0.17 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 3kz9 h ARG 60 CO 0.63 0.50 0.59 0.93 -1.51 0.00 0.00 179.97 181.11 3kz9 h GLU 61 N 0.78 0.89 -0.44 0.20 3.07 -1.96 0.11 114.58 117.23 3kz9 h GLU 61 Ca 0.43 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.19 3kz9 h GLU 61 Cb 0.45 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3kz9 h GLU 61 CO -0.27 0.59 0.10 -0.44 -1.40 0.00 0.00 179.01 177.59 3kz9 h ASP 62 N 0.92 0.68 0.03 1.42 3.32 -1.68 -1.29 116.42 119.81 3kz9 h ASP 62 Ca 0.43 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kz9 h ASP 62 Cb 0.41 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3kz9 h ASP 62 CO -0.19 0.74 -0.01 0.25 -1.72 0.00 0.00 179.24 178.30 3kz9 h LEU 63 N 0.58 -0.03 -0.28 1.55 5.85 -0.71 -2.20 115.31 120.07 3kz9 h LEU 63 Ca 0.14 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kz9 h LEU 63 Cb 0.33 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3kz9 h LEU 63 CO 0.00 0.05 0.18 0.58 -0.34 0.00 0.00 178.44 178.92 3kz9 h VAL 64 N -0.12 1.08 -0.62 1.05 2.07 -0.85 -1.65 116.25 117.22 3kz9 h VAL 64 Ca -0.00 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3kz9 h VAL 64 Cb 0.10 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3kz9 h VAL 64 CO 0.01 0.08 0.37 -0.78 0.02 0.00 0.00 177.57 177.27 3kz9 h ASP 65 N 0.38 0.60 0.17 0.57 1.82 -1.22 -1.59 116.42 117.14 3kz9 h ASP 65 Ca 0.10 0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.61 3kz9 h ASP 65 Cb -0.03 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 3kz9 h ASP 65 CO -0.02 0.41 -0.52 -0.33 -1.61 0.00 0.00 179.24 177.17 3kz9 h GLU 66 N 0.72 0.38 -0.30 0.28 5.08 -1.22 -1.38 114.58 118.15 3kz9 h GLU 66 Ca 0.25 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3kz9 h GLU 66 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3kz9 h GLU 66 CO -0.12 0.81 0.09 0.28 -1.00 0.00 0.00 179.01 179.08 3kz9 h VAL 67 N 0.30 1.20 -0.05 3.13 2.07 -1.05 -1.84 116.25 120.01 3kz9 h VAL 67 Ca 0.01 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3kz9 h VAL 67 Cb 1.02 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3kz9 h VAL 67 CO 0.09 0.22 -0.10 0.25 0.02 0.00 0.00 177.57 178.04 3kz9 h LEU 68 N 0.33 -0.31 -1.30 2.57 5.85 -1.16 -0.84 115.31 120.46 3kz9 h LEU 68 Ca 0.10 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3kz9 h LEU 68 Cb 0.25 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3kz9 h LEU 68 CO -0.00 -0.14 0.13 0.78 -0.34 0.00 0.00 178.44 178.86 3kz9 h ASN 69 N -0.15 0.55 0.18 1.25 2.35 -1.26 -1.35 115.58 117.14 3kz9 h ASN 69 Ca 0.06 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3kz9 h ASN 69 Cb 0.23 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kz9 h ASN 69 CO -0.14 0.54 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.35 3kz9 h HIS 70 N 0.60 -0.22 -0.47 1.19 2.76 -0.90 -2.06 115.15 116.05 3kz9 h HIS 70 Ca 0.14 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 3kz9 h HIS 70 Cb 0.19 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3kz9 h HIS 70 CO 0.01 -0.03 -0.15 -0.39 -1.30 0.00 0.00 177.93 176.08 3kz9 h VAL 71 N -0.38 1.27 -0.60 5.26 -1.51 -0.97 -1.20 116.25 118.12 3kz9 h VAL 71 Ca -0.02 -1.27 0.01 0.00 -1.23 0.00 0.00 66.70 64.18 3kz9 h VAL 71 Cb 0.29 1.06 -0.03 0.00 -2.13 0.00 0.00 31.29 30.48 3kz9 h VAL 71 CO 0.04 0.44 0.39 0.58 -1.23 0.00 0.00 177.57 177.79 3kz9 h VAL 72 N 0.80 1.13 -0.62 7.19 2.07 -1.30 0.15 116.25 125.67 3kz9 h VAL 72 Ca 0.12 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kz9 h VAL 72 Cb 0.68 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3kz9 h VAL 72 CO 0.05 0.14 0.33 -0.09 0.02 0.00 0.00 177.57 178.03 3kz9 h ARG 73 N 0.79 0.87 -0.80 1.57 2.43 -1.18 -0.30 114.38 117.76 3kz9 h ARG 73 Ca 0.22 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3kz9 h ARG 73 Cb -0.06 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.28 3kz9 h ARG 73 CO -0.06 0.67 0.43 1.96 -1.51 0.00 0.00 179.97 181.46 3kz9 h GLN 74 N 0.85 1.13 -0.38 0.20 1.08 -0.69 -2.60 115.11 114.70 3kz9 h GLN 74 Ca 0.22 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 3kz9 h GLN 74 Cb 0.06 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3kz9 h GLN 74 CO -0.03 0.84 -0.06 0.35 -0.95 0.00 0.00 178.83 178.98 3kz9 h PHE 75 N 1.12 0.67 -0.27 2.96 3.57 -0.17 -1.42 116.94 123.39 3kz9 h PHE 75 Ca 0.28 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3kz9 h PHE 75 Cb 0.05 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3kz9 h PHE 75 CO 0.00 0.67 0.14 1.03 -2.23 0.00 0.00 178.31 177.92 3kz9 h SER 76 N 0.58 0.20 -0.53 0.41 0.87 -0.78 0.69 113.55 115.01 3kz9 h SER 76 Ca 0.11 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3kz9 h SER 76 Cb 0.45 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3kz9 h SER 76 CO 0.02 0.15 0.28 0.78 -0.53 0.00 0.00 176.83 177.54 3kz9 h ASN 77 N 0.29 0.66 -0.28 6.23 2.35 -1.22 0.78 115.58 124.39 3kz9 h ASN 77 Ca 0.11 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3kz9 h ASN 77 Cb 0.03 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 3kz9 h ASN 77 CO -0.08 0.57 -0.00 0.15 -1.65 0.00 0.00 177.43 176.42 3kz9 h PHE 78 N 0.71 -0.02 -0.77 1.19 3.57 -0.95 -0.59 116.94 120.08 3kz9 h PHE 78 Ca 0.19 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3kz9 h PHE 78 Cb 0.06 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3kz9 h PHE 78 CO -0.01 -0.05 0.25 -0.07 -2.23 0.00 0.00 178.31 176.20 3kz9 h LEU 79 N 0.08 1.10 -1.04 0.59 3.38 -0.51 -1.73 115.31 117.18 3kz9 h LEU 79 Ca 0.14 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3kz9 h LEU 79 Cb 0.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3kz9 h LEU 79 CO -0.23 1.01 0.15 0.28 0.09 0.00 0.00 178.44 179.73 3kz9 h SER 80 N 1.13 0.78 1.11 -0.43 0.02 -0.63 -0.45 113.55 115.08 3kz9 h SER 80 Ca 0.25 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3kz9 h SER 80 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3kz9 h SER 80 CO -0.01 0.75 -0.26 0.44 -1.14 0.00 0.00 176.83 176.61 3kz9 h ASP 81 N 0.81 0.00 0.00 3.07 3.45 -0.90 -3.39 116.42 119.46 3kz9 h ASP 81 Ca 0.18 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 3kz9 h ASP 81 Cb 0.27 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3kz9 h ASP 81 CO -0.00 0.26 -1.27 0.59 -1.57 0.00 0.00 179.24 177.25 3kz9 n ASN 82 N -3.33 3.82 -4.71 6.45 4.13 -0.67 -4.99 115.26 115.96 3kz9 n ASN 82 Ca 0.01 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.85 3kz9 n ASN 82 Cb 0.49 1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 39.73 3kz9 n ASN 82 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kz9 s ILE 83 N -2.27 4.21 -0.32 2.41 1.01 -0.21 -4.63 121.20 121.40 3kz9 s ILE 83 Ca -0.02 1.58 -0.00 0.00 0.00 0.00 0.00 60.65 62.21 3kz9 s ILE 83 Cb 0.03 -4.01 0.10 0.00 0.01 0.00 0.00 42.46 38.59 3kz9 s ILE 83 CO 0.21 0.09 0.10 -0.62 0.00 0.00 0.00 174.94 174.71 3kz9 s ASP 84 N 1.17 4.11 0.26 3.58 -1.08 -1.26 -4.95 116.67 118.51 3kz9 s ASP 84 Ca 0.57 -1.76 0.20 0.00 -0.52 0.00 0.00 52.55 51.04 3kz9 s ASP 84 Cb -0.27 -0.97 0.99 0.00 -1.46 0.00 0.00 42.92 41.21 3kz9 s ASP 84 CO 0.27 -0.40 1.61 0.18 0.52 0.00 0.00 175.17 177.34 3kz9 n LEU 85 N 4.71 0.52 0.21 -1.34 4.77 -1.26 -2.10 117.00 122.51 3kz9 n LEU 85 Ca -0.01 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.81 3kz9 n LEU 85 Cb 0.42 -0.72 0.30 0.00 -2.33 0.00 0.00 43.42 41.08 3kz9 n LEU 85 CO 0.13 -0.78 0.85 0.44 -1.33 0.00 0.00 177.39 176.71 3kz9 h ASP 86 N 0.00 0.00 -4.23 -1.43 3.32 -2.03 -3.47 116.42 108.59 3kz9 h ASP 86 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3kz9 h ASP 86 Cb 0.11 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.69 3kz9 h ASP 86 CO 0.00 0.00 0.38 -0.76 -1.72 0.00 0.00 179.24 177.14 3kz9 s LEU 87 N -5.92 3.53 0.17 1.55 1.43 -0.89 -5.02 118.68 113.53 3kz9 s LEU 87 Ca 0.06 1.57 -0.33 0.00 -1.03 0.00 0.00 54.13 54.40 3kz9 s LEU 87 Cb 0.07 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.63 3kz9 s LEU 87 CO 0.63 -0.71 1.21 1.41 0.23 0.00 0.00 176.35 179.12 3kz9 n HIS 88 N -1.87 1.43 -0.23 0.29 8.25 -1.26 -4.82 115.22 117.02 3kz9 n HIS 88 Ca 0.07 0.64 0.03 0.00 -0.26 0.00 0.00 57.72 58.20 3kz9 n HIS 88 Cb 0.54 -2.31 0.15 0.00 1.12 0.00 0.00 29.99 29.49 3kz9 n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kz9 h ALA 89 N 3.58 0.87 -0.91 -1.41 0.00 -1.95 -0.51 119.26 118.94 3kz9 h ALA 89 Ca -0.44 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3kz9 h ALA 89 Cb 1.33 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.21 3kz9 h ALA 89 CO 0.71 -0.27 0.57 -0.22 0.00 0.00 0.00 179.25 180.05 3kz9 h LYS 90 N 0.33 1.01 -0.31 0.00 3.64 -1.90 -1.17 116.57 118.18 3kz9 h LYS 90 Ca 0.36 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.53 3kz9 h LYS 90 Cb 0.56 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3kz9 h LYS 90 CO -0.42 0.67 -0.40 1.49 -2.27 0.00 0.00 179.45 178.53 3kz9 h GLU 91 N 1.04 0.81 -0.54 1.90 4.81 -1.49 -1.00 114.58 120.10 3kz9 h GLU 91 Ca 0.40 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3kz9 h GLU 91 Cb 0.17 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kz9 h GLU 91 CO -0.17 1.10 0.25 -0.97 -0.73 0.00 0.00 179.01 178.49 3kz9 h ASN 92 N 0.58 0.72 -0.26 1.04 -1.24 -1.15 0.63 115.58 115.90 3kz9 h ASN 92 Ca 0.04 -0.14 -0.07 0.00 0.71 0.00 0.00 56.30 56.84 3kz9 h ASN 92 Cb 0.99 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.84 3kz9 h ASN 92 CO 0.09 0.65 -0.07 0.40 -1.29 0.00 0.00 177.43 177.22 3kz9 h ILE 93 N 0.73 1.23 -0.40 2.57 2.04 -1.09 -1.72 117.51 120.88 3kz9 h ILE 93 Ca 0.19 -1.00 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 3kz9 h ILE 93 Cb 0.13 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3kz9 h ILE 93 CO -0.02 0.34 -0.02 0.00 0.00 0.00 0.00 178.15 178.44 3kz9 h ALA 94 N 1.35 0.54 0.04 1.87 0.00 -0.90 -1.64 119.26 120.52 3kz9 h ALA 94 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kz9 h ALA 94 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kz9 h ALA 94 CO 0.02 0.34 -0.02 -0.91 0.00 0.00 0.00 179.25 178.68 3kz9 h ASN 95 N 0.54 -0.05 -0.05 0.00 2.35 -0.70 -1.55 115.58 116.12 3kz9 h ASN 95 Ca 0.11 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3kz9 h ASN 95 Cb 0.51 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3kz9 h ASN 95 CO 0.02 -0.01 -0.05 0.40 -1.65 0.00 0.00 177.43 176.14 3kz9 h ILE 96 N -0.08 0.85 -0.47 2.81 2.04 -1.28 -0.78 117.51 120.59 3kz9 h ILE 96 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3kz9 h ILE 96 Cb 0.06 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3kz9 h ILE 96 CO 0.01 0.00 -0.12 0.74 0.00 0.00 0.00 178.15 178.78 3kz9 h THR 97 N -0.07 1.26 -0.18 -0.27 2.02 -1.28 -2.50 112.91 111.90 3kz9 h THR 97 Ca 0.04 -1.23 -0.12 0.00 0.77 0.00 0.00 66.41 65.87 3kz9 h THR 97 Cb 0.12 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3kz9 h THR 97 CO -0.09 0.43 -0.40 0.78 0.37 0.00 0.00 175.52 176.60 3kz9 h ASN 98 N 0.79 0.42 0.00 4.18 2.35 -1.22 -1.51 115.58 120.59 3kz9 h ASN 98 Ca 0.13 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3kz9 h ASN 98 Cb 0.64 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3kz9 h ASN 98 CO 0.04 0.79 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 3kz9 n ALA 99 N -2.49 1.69 0.00 -0.83 0.00 -0.31 -2.26 120.51 116.31 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 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.70 0.00 -0.14 0.00 5.41 -0.57 -2.82 119.36 121.95 3kz9 n ILE 101 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 3kz9 n ILE 101 Cb 0.12 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.07 3kz9 n ILE 101 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3kz9 h GLU 102 N 0.00 0.48 -0.99 0.38 4.39 -1.74 0.11 114.58 117.20 3kz9 h GLU 102 Ca 0.00 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3kz9 h GLU 102 Cb 0.00 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.48 3kz9 h GLU 102 CO 0.00 0.32 0.64 -0.07 -1.16 0.00 0.00 179.01 178.74 3kz9 h LEU 103 N 0.49 1.07 -0.60 1.33 3.38 -1.82 0.16 115.31 119.32 3kz9 h LEU 103 Ca 0.17 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 3kz9 h LEU 103 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3kz9 h LEU 103 CO -0.09 0.72 -0.30 0.58 0.09 0.00 0.00 178.44 179.44 3kz9 h VAL 104 N 1.23 1.28 -0.12 1.22 2.07 -1.70 -1.21 116.25 119.02 3kz9 h VAL 104 Ca 0.40 -1.45 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 3kz9 h VAL 104 Cb 0.03 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3kz9 h VAL 104 CO -0.13 0.48 -0.54 0.58 0.02 0.00 0.00 177.57 177.98 3kz9 h VAL 105 N 0.67 1.35 0.00 2.57 2.07 -0.34 -2.21 116.25 120.35 3kz9 h VAL 105 Ca 0.08 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3kz9 h VAL 105 Cb 0.84 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3kz9 h VAL 105 CO 0.07 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.21 3kz9 n GLN 106 N -3.94 0.28 -3.06 1.57 6.02 0.52 -4.94 117.38 113.84 3kz9 n GLN 106 Ca -0.02 0.11 -0.13 0.00 -0.01 0.00 0.00 57.00 56.95 3kz9 n GLN 106 Cb 0.58 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.25 -3.07 -4.63 1.08 4.64 -0.83 -4.96 116.55 107.54 3kz9 n ASP 107 Ca 0.09 -0.51 -0.43 0.00 -1.38 0.00 0.00 54.79 52.56 3kz9 n ASP 107 Cb 0.12 -4.17 -0.02 0.00 -1.04 0.00 0.00 41.12 36.01 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 -3.85 6.66 0.22 1.67 -0.87 -0.51 -4.91 114.94 113.34 3kz9 s ASN 108 Ca 0.10 1.13 -0.09 0.00 -1.57 0.00 0.00 52.86 52.43 3kz9 s ASN 108 Cb -0.01 -2.54 0.17 0.00 -0.02 0.00 0.00 41.25 38.85 3kz9 s ASN 108 CO 0.58 -1.10 1.88 0.45 -2.57 0.00 0.00 177.10 176.33 3kz9 h HIS 109 N 9.33 1.02 -0.96 2.20 3.86 -1.91 -2.95 115.15 125.75 3kz9 h HIS 109 Ca -0.26 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 58.97 3kz9 h HIS 109 Cb 1.09 -0.34 -0.05 0.00 1.06 0.00 0.00 27.41 29.17 3kz9 h HIS 109 CO 0.89 0.66 0.63 0.11 0.86 0.00 0.00 177.93 181.08 3kz9 h TRP 110 N 1.09 1.21 -0.62 2.45 5.08 -1.91 -2.19 115.95 121.06 3kz9 h TRP 110 Ca 0.29 0.02 -0.06 0.00 1.08 0.00 0.00 58.89 60.22 3kz9 h TRP 110 Cb -0.10 -0.41 -0.03 0.00 -3.00 0.00 0.00 29.16 25.63 3kz9 h TRP 110 CO -0.01 0.77 0.14 1.25 -1.28 0.00 0.00 178.44 179.31 3kz9 h LEU 111 N 1.30 0.95 -0.83 0.11 5.85 -1.90 0.11 115.31 120.91 3kz9 h LEU 111 Ca 0.35 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3kz9 h LEU 111 Cb -0.14 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.63 3kz9 h LEU 111 CO -0.07 0.94 -0.42 0.11 -0.34 0.00 0.00 178.44 178.66 3kz9 h LYS 112 N 0.92 0.35 -0.15 1.25 1.57 -1.42 -0.49 116.57 118.59 3kz9 h LYS 112 Ca 0.19 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3kz9 h LYS 112 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kz9 h LYS 112 CO 0.00 0.71 -0.24 0.28 -0.57 0.00 0.00 179.45 179.64 3kz9 h VAL 113 N 0.29 1.36 -0.06 0.50 2.07 -1.12 -2.06 116.25 117.23 3kz9 h VAL 113 Ca 0.03 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 66.10 3kz9 h VAL 113 Cb 0.86 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3kz9 h VAL 113 CO 0.07 0.44 -0.07 -0.25 0.02 0.00 0.00 177.57 177.78 3kz9 h TRP 114 N 0.06 -0.17 -0.18 1.57 7.01 -0.65 -1.22 115.95 122.36 3kz9 h TRP 114 Ca 0.01 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.04 3kz9 h TRP 114 Cb 0.81 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 3kz9 h TRP 114 CO 0.09 -0.11 0.08 0.74 -2.79 0.00 0.00 178.44 176.46 3kz9 h PHE 115 N -0.10 0.15 -0.85 2.65 0.04 -1.13 0.78 116.94 118.49 3kz9 h PHE 115 Ca 0.05 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.90 3kz9 h PHE 115 Cb 0.16 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 3kz9 h PHE 115 CO -0.17 0.08 0.52 1.49 -0.60 0.00 0.00 178.31 179.64 3kz9 h GLU 116 N 0.18 0.90 -0.50 1.51 4.81 -1.21 -2.08 114.58 118.20 3kz9 h GLU 116 Ca 0.07 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 3kz9 h GLU 116 Cb 0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3kz9 h GLU 116 CO -0.06 0.60 -0.17 2.35 -0.73 0.00 0.00 179.01 181.00 3kz9 h TRP 117 N 0.93 1.11 0.00 0.92 2.91 -0.75 -2.72 115.95 118.35 3kz9 h TRP 117 Ca 0.38 -0.25 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 3kz9 h TRP 117 Cb 0.21 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3kz9 h TRP 117 CO -0.04 1.06 -0.01 0.66 -1.03 0.00 0.00 178.44 179.08 3kz9 h SER 118 N 0.86 0.00 -0.36 2.65 4.64 -0.17 -2.56 113.55 118.61 3kz9 h SER 118 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3kz9 h SER 118 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3kz9 h SER 118 CO 0.06 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.03 3kz9 n ALA 119 N -2.21 2.44 -1.77 5.18 0.00 -1.00 -5.01 120.51 118.14 3kz9 n ALA 119 Ca -0.03 -0.90 -0.40 0.00 0.00 0.00 0.00 53.44 52.11 3kz9 n ALA 119 Cb 0.10 -0.93 -0.01 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 -1.47 6.40 0.00 0.00 0.15 -0.97 -4.94 113.70 112.87 3kz9 s SER 120 Ca 0.37 2.67 0.02 0.00 0.70 0.00 0.00 55.95 59.71 3kz9 s SER 120 Cb 0.22 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 3kz9 s SER 120 CO 0.30 -0.79 0.58 0.35 1.20 0.00 0.00 173.24 174.88 3kz9 n THR 121 N 0.25 0.01 -2.33 6.45 -2.24 -1.26 -4.62 114.28 110.54 3kz9 n THR 121 Ca 0.03 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.88 3kz9 n THR 121 Cb 0.43 1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.20 4.26 0.45 -0.78 0.52 -1.26 -4.92 118.95 117.01 3kz9 s ARG 122 Ca 0.03 1.79 0.35 0.00 -0.52 0.00 0.00 55.73 57.38 3kz9 s ARG 122 Cb 0.02 -3.72 1.48 0.00 0.52 0.00 0.00 34.95 33.25 3kz9 s ARG 122 CO 0.03 -0.65 1.49 -0.25 0.02 0.00 0.00 175.30 175.94 3kz9 n ASP 123 N 6.19 0.15 -0.86 0.23 9.92 -1.26 -0.35 116.55 130.57 3kz9 n ASP 123 Ca 0.14 1.23 0.12 0.00 -0.53 0.00 0.00 54.79 55.74 3kz9 n ASP 123 Cb 0.45 -0.61 0.08 0.00 -0.64 0.00 0.00 41.12 40.40 3kz9 n ASP 123 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kz9 n GLU 124 N -4.42 2.08 -0.01 -1.24 4.71 -1.26 -4.50 120.64 115.99 3kz9 n GLU 124 Ca 0.40 -1.72 -0.04 0.00 -0.01 0.00 0.00 57.16 55.78 3kz9 n GLU 124 Cb 1.61 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 30.56 3kz9 n GLU 124 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kz9 n VAL 125 N 1.04 1.24 -0.15 2.62 0.31 0.52 -4.75 118.33 119.17 3kz9 n VAL 125 Ca 0.13 0.25 0.04 0.00 -0.01 0.00 0.00 64.34 64.75 3kz9 n VAL 125 Cb 0.57 -1.84 0.34 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.37 0.76 -0.34 3.52 5.08 -1.67 -2.51 115.95 120.42 3kz9 h TRP 126 Ca -0.04 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.93 3kz9 h TRP 126 Cb 0.49 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 26.38 3kz9 h TRP 126 CO -0.14 0.45 0.13 -1.35 -1.28 0.00 0.00 178.44 176.24 3kz9 h PRO 127 N 0.79 0.47 -0.05 0.12 0.11 -1.83 -0.37 132.00 131.25 3kz9 h PRO 127 Ca 0.26 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 3kz9 h PRO 127 Cb 0.04 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 3kz9 h PRO 127 CO -0.07 0.40 0.02 -0.07 -0.21 0.00 0.00 178.00 178.07 3kz9 h LEU 128 N 0.47 0.07 -0.58 2.35 3.38 -1.74 -1.31 115.31 117.95 3kz9 h LEU 128 Ca 0.12 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kz9 h LEU 128 Cb 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3kz9 h LEU 128 CO -0.01 0.24 0.34 0.15 0.09 0.00 0.00 178.44 179.25 3kz9 h PHE 129 N -0.10 0.63 -0.65 1.13 3.57 -1.41 -1.56 116.94 118.54 3kz9 h PHE 129 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kz9 h PHE 129 Cb 0.19 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3kz9 h PHE 129 CO -0.01 0.34 0.40 0.28 -2.23 0.00 0.00 178.31 177.10 3kz9 h VAL 130 N 0.66 1.18 0.36 1.41 2.07 -0.83 0.12 116.25 121.23 3kz9 h VAL 130 Ca 0.24 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kz9 h VAL 130 Cb 0.07 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kz9 h VAL 130 CO -0.12 0.19 -0.17 0.74 0.02 0.00 0.00 177.57 178.22 3kz9 h THR 131 N 0.89 0.65 -0.34 2.57 2.02 -1.12 -3.05 112.91 114.53 3kz9 h THR 131 Ca 0.24 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.18 3kz9 h THR 131 Cb -0.05 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3kz9 h THR 131 CO -0.05 0.02 -0.40 0.74 0.37 0.00 0.00 175.52 176.20 3kz9 h THR 132 N -0.53 1.28 0.00 3.16 2.02 -1.02 -2.60 112.91 115.22 3kz9 h THR 132 Ca -0.05 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.55 3kz9 h THR 132 Cb 0.40 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3kz9 h THR 132 CO 0.08 0.52 0.00 -3.20 0.37 0.00 0.00 175.52 173.29 3kz9 n ASN 133 N -4.04 0.00 -0.29 4.18 5.15 0.40 -4.51 115.26 116.15 3kz9 n ASN 133 Ca -0.02 -0.55 0.10 0.00 -0.60 0.00 0.00 54.58 53.50 3kz9 n ASN 133 Cb 0.54 -0.08 0.26 0.00 -0.53 0.00 0.00 39.78 39.97 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 0.44 -0.46 1.20 9.65 -1.34 -0.70 114.38 123.16 3kz9 h ARG 134 Ca 0.00 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3kz9 h ARG 134 Cb 0.06 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 3kz9 h ARG 134 CO 0.00 0.29 -0.13 1.15 2.80 0.00 0.00 179.97 184.08 3kz9 h THR 135 N 0.45 1.26 -0.36 0.20 2.02 -1.85 0.82 112.91 115.46 3kz9 h THR 135 Ca 0.50 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.47 3kz9 h THR 135 Cb 0.87 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 3kz9 h THR 135 CO -0.47 0.42 0.22 0.78 0.37 0.00 0.00 175.52 176.84 3kz9 h ASN 136 N 0.77 0.36 -0.27 4.18 2.35 -1.51 -0.05 115.58 121.42 3kz9 h ASN 136 Ca 0.12 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3kz9 h ASN 136 Cb 0.64 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 3kz9 h ASN 136 CO 0.04 0.26 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.41 3kz9 h GLN 137 N 0.45 0.00 -0.59 0.81 4.15 -0.94 -2.32 115.11 116.68 3kz9 h GLN 137 Ca 0.14 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3kz9 h GLN 137 Cb -0.01 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3kz9 h GLN 137 CO -0.06 0.00 0.29 -0.07 -1.93 0.00 0.00 178.83 177.07 3kz9 h LEU 138 N 0.00 0.73 -0.60 -2.39 3.38 -0.58 -0.85 115.31 115.01 3kz9 h LEU 138 Ca 0.13 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3kz9 h LEU 138 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3kz9 h LEU 138 CO -0.27 0.62 0.22 0.25 0.09 0.00 0.00 178.44 179.35 3kz9 h LEU 139 N 0.82 0.84 -0.20 1.67 5.85 -0.76 -0.63 115.31 122.89 3kz9 h LEU 139 Ca 0.21 -0.18 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 3kz9 h LEU 139 Cb 0.07 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3kz9 h LEU 139 CO -0.03 0.79 -0.35 0.58 -0.34 0.00 0.00 178.44 179.09 3kz9 h VAL 140 N 0.83 1.33 -0.76 1.05 2.07 -1.05 -3.14 116.25 116.58 3kz9 h VAL 140 Ca 0.20 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.24 3kz9 h VAL 140 Cb 0.23 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 3kz9 h VAL 140 CO -0.01 0.49 0.40 1.56 0.02 0.00 0.00 177.57 180.03 3kz9 h GLN 141 N 0.28 0.65 -1.62 1.57 4.20 -1.03 -2.68 115.11 116.48 3kz9 h GLN 141 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3kz9 h GLN 141 Cb 0.94 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3kz9 h GLN 141 CO 0.08 0.43 0.00 -1.71 -0.67 0.00 0.00 178.83 176.96 3kz9 n ASN 142 N -4.82 0.00 0.00 1.46 2.85 -0.26 -0.64 115.26 113.86 3kz9 n ASN 142 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3kz9 n ASN 142 Cb 0.29 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.31 3kz9 n ASN 142 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3kz9 n PHE 144 N 0.85 0.00 -0.05 1.20 3.72 -1.01 -2.42 117.46 119.76 3kz9 n PHE 144 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3kz9 n PHE 144 Cb 0.00 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.95 -0.30 4.37 2.04 -1.17 0.17 117.51 123.57 3kz9 h ILE 145 Ca 0.00 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3kz9 h ILE 145 Cb 0.00 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3kz9 h ILE 145 CO 0.00 0.03 -0.05 0.11 0.00 0.00 0.00 178.15 178.25 3kz9 h LYS 146 N 0.18 0.03 -0.38 2.37 6.56 -1.75 -0.96 116.57 122.61 3kz9 h LYS 146 Ca 0.09 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 3kz9 h LYS 146 Cb 0.06 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 3kz9 h LYS 146 CO -0.09 0.02 0.20 0.00 -2.06 0.00 0.00 179.45 177.52 3kz9 h ALA 147 N 1.29 0.49 -0.59 3.86 0.00 -1.76 -1.57 119.26 120.98 3kz9 h ALA 147 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kz9 h ALA 147 Cb 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3kz9 h ALA 147 CO -0.29 0.03 0.30 0.82 0.00 0.00 0.00 179.25 180.11 3kz9 h ILE 148 N 0.49 0.93 -0.36 0.00 2.04 -0.46 -0.56 117.51 119.58 3kz9 h ILE 148 Ca 0.13 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 3kz9 h ILE 148 Cb 0.07 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3kz9 h ILE 148 CO -0.02 0.10 -0.14 -0.33 0.00 0.00 0.00 178.15 177.76 3kz9 h GLU 149 N 0.55 0.64 -0.07 2.37 5.08 -0.88 -2.62 114.58 119.66 3kz9 h GLU 149 Ca 0.27 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kz9 h GLU 149 Cb 0.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kz9 h GLU 149 CO -0.19 0.76 0.00 0.54 -1.00 0.00 0.00 179.01 179.11 3kz9 n ARG 150 N -4.17 1.38 -1.48 2.33 1.74 -0.62 -4.89 116.66 110.95 3kz9 n ARG 150 Ca 0.01 -0.57 -0.17 0.00 -0.77 0.00 0.00 57.85 56.36 3kz9 n ARG 150 Cb 0.36 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.00 1.65 0.24 -0.13 0.00 -0.99 -4.89 105.19 102.08 3kz9 n GLY 151 Ca 0.17 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 -5.51 1.61 5.08 -1.36 -3.42 114.58 110.98 3kz9 h GLU 152 Ca -0.34 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.53 3kz9 h GLU 152 Cb 1.08 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.19 3kz9 h GLU 152 CO 0.50 0.18 -0.68 0.14 -1.00 0.00 0.00 179.01 178.15 3kz9 s VAL 153 N -3.92 1.65 -0.06 3.13 -7.23 -1.22 0.37 120.40 113.12 3kz9 s VAL 153 Ca -0.01 -2.13 -0.38 0.00 -1.81 0.00 0.00 61.98 57.64 3kz9 s VAL 153 Cb 0.12 -2.41 -0.17 0.00 0.56 0.00 0.00 36.38 34.48 3kz9 s VAL 153 CO 0.61 -0.33 1.47 0.00 -0.31 0.00 0.00 175.10 176.54 3kz9 n ASP 155 N 3.46 0.00 -0.65 0.00 3.85 -1.26 -1.82 116.55 120.13 3kz9 n ASP 155 Ca 0.22 -0.66 0.10 0.00 -0.71 0.00 0.00 54.79 53.74 3kz9 n ASP 155 Cb 0.16 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.97 3kz9 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kz9 n GLN 156 N -0.86 1.67 -1.45 0.11 1.13 -1.26 -4.94 117.38 111.78 3kz9 n GLN 156 Ca 0.09 -1.34 -0.34 0.00 -1.94 0.00 0.00 57.00 53.47 3kz9 n GLN 156 Cb 0.04 -1.42 0.09 0.00 0.11 0.00 0.00 30.24 29.06 3kz9 n GLN 156 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3kz9 s HIS 157 N -2.08 2.12 -0.07 1.08 3.76 -0.75 -5.05 115.29 114.30 3kz9 s HIS 157 Ca 0.21 1.60 0.01 0.00 -0.15 0.00 0.00 55.06 56.72 3kz9 s HIS 157 Cb 0.17 -3.42 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 3kz9 s HIS 157 CO 0.41 -2.49 -0.06 0.54 -0.85 0.00 0.00 174.74 172.29 3kz9 s ASN 158 N -2.13 4.73 0.49 1.40 2.20 -1.26 -5.03 114.94 115.33 3kz9 s ASN 158 Ca 0.73 -0.00 0.23 0.00 -0.94 0.00 0.00 52.86 52.87 3kz9 s ASN 158 Cb -0.28 -1.21 1.25 0.00 -2.00 0.00 0.00 41.25 39.02 3kz9 s ASN 158 CO 0.45 0.36 2.02 1.55 -2.94 0.00 0.00 177.10 178.55 3kz9 h PRO 159 N 5.22 0.00 0.05 3.55 0.13 -1.89 -1.62 132.00 137.44 3kz9 h PRO 159 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3kz9 h PRO 159 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3kz9 h PRO 159 CO 0.53 0.16 -0.02 0.93 -0.23 0.00 0.00 178.00 179.36 3kz9 h GLU 160 N 0.00 -0.07 -0.65 0.86 3.07 -1.96 -1.20 114.58 114.64 3kz9 h GLU 160 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 3kz9 h GLU 160 Cb 0.37 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.27 3kz9 h GLU 160 CO 0.02 0.23 0.27 -0.44 -1.40 0.00 0.00 179.01 177.69 3kz9 h ASP 161 N -0.37 0.89 0.06 1.42 3.32 -1.89 -2.41 116.42 117.44 3kz9 h ASP 161 Ca -0.01 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3kz9 h ASP 161 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3kz9 h ASP 161 CO 0.01 0.81 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.03 3kz9 h LEU 162 N 0.91 0.30 -0.57 1.55 3.38 -1.29 -1.55 115.31 118.04 3kz9 h LEU 162 Ca 0.22 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3kz9 h LEU 162 Cb 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kz9 h LEU 162 CO -0.02 0.54 -0.36 0.00 0.09 0.00 0.00 178.44 178.70 3kz9 h ALA 163 N 1.49 0.75 -0.22 1.53 0.00 -1.03 -0.43 119.26 121.35 3kz9 h ALA 163 Ca 0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3kz9 h ALA 163 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3kz9 h ALA 163 CO 0.04 0.66 -0.05 -0.91 0.00 0.00 0.00 179.25 178.99 3kz9 h ASN 164 N 0.63 0.43 -0.24 0.00 2.35 -1.19 -1.16 115.58 116.40 3kz9 h ASN 164 Ca 0.06 -0.36 0.06 0.00 -0.55 0.00 0.00 56.30 55.51 3kz9 h ASN 164 Cb 0.90 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 39.08 3kz9 h ASN 164 CO 0.08 0.69 -0.27 0.25 -1.65 0.00 0.00 177.43 176.52 3kz9 h LEU 165 N 0.16 -0.88 -0.51 1.61 5.85 -1.21 -0.40 115.31 119.93 3kz9 h LEU 165 Ca 0.06 0.15 0.09 0.00 0.84 0.00 0.00 57.88 59.02 3kz9 h LEU 165 Cb 0.50 0.40 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 3kz9 h LEU 165 CO 0.02 -0.31 0.08 0.15 -0.34 0.00 0.00 178.44 178.05 3kz9 h PHE 166 N -0.28 0.12 -0.54 1.25 3.57 -1.03 0.12 116.94 120.14 3kz9 h PHE 166 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3kz9 h PHE 166 Cb 0.49 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 3kz9 h PHE 166 CO -0.42 -0.04 0.35 1.25 -2.23 0.00 0.00 178.31 177.22 3kz9 h HIS 167 N 0.21 0.70 -0.59 0.41 2.76 -0.79 -0.16 115.15 117.68 3kz9 h HIS 167 Ca 0.26 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.51 3kz9 h HIS 167 Cb 0.36 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 29.03 3kz9 h HIS 167 CO -0.25 0.46 0.26 0.78 -1.30 0.00 0.00 177.93 177.88 3kz9 h GLY 168 N 0.73 0.84 0.85 5.26 0.00 -0.19 0.28 103.07 110.84 3kz9 h GLY 168 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3kz9 h GLY 168 CO -0.04 0.04 -0.02 -2.22 0.00 0.00 0.00 176.54 174.31 3kz9 h ILE 169 N 0.48 1.26 -0.68 2.60 2.04 -0.43 -2.35 117.51 120.43 3kz9 h ILE 169 Ca 0.29 -0.95 0.13 0.00 1.00 0.00 0.00 64.86 65.32 3kz9 h ILE 169 Cb 0.29 1.38 -0.09 0.00 -0.74 0.00 0.00 36.82 37.66 3kz9 h ILE 169 CO -0.25 0.30 0.22 0.00 0.00 0.00 0.00 178.15 178.42 3kz9 h TYR 171 N 0.37 1.11 -0.43 0.00 3.20 -0.18 0.84 116.97 121.87 3kz9 h TYR 171 Ca 0.37 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.14 3kz9 h TYR 171 Cb 0.54 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3kz9 h TYR 171 CO -0.20 0.72 -0.15 1.03 -1.64 0.00 0.00 178.16 177.92 3kz9 h SER 172 N 1.17 0.81 -0.25 -2.11 0.87 -1.02 -1.28 113.55 111.74 3kz9 h SER 172 Ca 0.31 -0.26 -0.19 0.00 -1.23 0.00 0.00 61.79 60.42 3kz9 h SER 172 Cb -0.08 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 3kz9 h SER 172 CO -0.06 0.97 -0.57 -0.07 -0.53 0.00 0.00 176.83 176.57 3kz9 h LEU 173 N 0.72 0.95 -0.40 2.23 3.38 -0.94 -2.55 115.31 118.71 3kz9 h LEU 173 Ca 0.11 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.64 3kz9 h LEU 173 Cb 0.65 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3kz9 h LEU 173 CO 0.05 1.31 -0.05 0.15 0.09 0.00 0.00 178.44 179.99 3kz9 h PHE 174 N 0.65 -0.11 0.20 1.13 3.57 -0.56 0.77 116.94 122.58 3kz9 h PHE 174 Ca 0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.55 3kz9 h PHE 174 Cb 1.17 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 3kz9 h PHE 174 CO 0.07 -0.12 -0.23 0.28 -2.23 0.00 0.00 178.31 176.08 3kz9 h VAL 175 N 0.05 0.50 -0.99 1.41 2.07 -1.16 -1.44 116.25 116.69 3kz9 h VAL 175 Ca 0.20 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.82 3kz9 h VAL 175 Cb 0.29 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.49 3kz9 h VAL 175 CO -0.37 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.41 3kz9 h GLN 176 N -0.47 1.01 0.00 1.57 1.08 -1.25 -1.50 115.11 115.55 3kz9 h GLN 176 Ca 0.01 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3kz9 h GLN 176 Cb 0.45 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3kz9 h GLN 176 CO -0.07 0.67 -0.09 0.00 -0.95 0.00 0.00 178.83 178.38 3kz9 h ALA 177 N 1.51 1.04 0.00 3.87 0.00 -0.44 -1.35 119.26 123.89 3kz9 h ALA 177 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3kz9 h ALA 177 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kz9 h ALA 177 CO -0.22 0.12 0.00 -0.91 0.00 0.00 0.00 179.25 178.23 3kz9 h ASN 178 N 0.00 0.00 0.01 0.00 2.35 -0.20 -3.34 115.58 114.39 3kz9 h ASN 178 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kz9 h ASN 178 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3kz9 h ASN 178 CO 0.01 0.00 -1.61 0.54 -1.65 0.00 0.00 177.43 174.72 3kz9 n ARG 179 N -2.69 0.41 -3.96 0.81 1.74 -0.58 -4.97 116.66 107.42 3kz9 n ARG 179 Ca 0.04 -0.12 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 3kz9 n ARG 179 Cb 0.43 -1.51 -0.09 0.00 -1.02 0.00 0.00 32.46 30.26 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 -3.32 0.15 -1.30 0.55 -1.32 -0.76 -5.04 115.64 104.60 3kz9 s THR 180 Ca -0.02 -1.27 0.14 0.00 -1.21 0.00 0.00 61.69 59.33 3kz9 s THR 180 Cb 0.15 -1.09 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 3kz9 s THR 180 CO 0.89 -0.70 0.79 0.59 -2.21 0.00 0.00 174.62 173.98 3kz9 n ASN 181 N 0.51 1.49 -4.56 8.08 3.02 -1.26 -4.55 115.26 117.99 3kz9 n ASN 181 Ca -0.17 -1.25 -0.25 0.00 -0.03 0.00 0.00 54.58 52.88 3kz9 n ASN 181 Cb 0.60 0.48 -0.05 0.00 -0.61 0.00 0.00 39.78 40.19 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 -1.75 4.77 0.50 6.41 3.84 -1.26 -4.81 114.94 122.62 3kz9 s ASN 182 Ca 0.12 -0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.24 3kz9 s ASN 182 Cb 0.12 -2.55 1.08 0.00 -0.55 0.00 0.00 41.25 39.34 3kz9 s ASN 182 CO 0.36 -3.02 1.88 0.71 -2.79 0.00 0.00 177.10 174.24 3kz9 h THR 183 N 7.36 0.21 -0.47 -5.21 1.35 -1.98 -1.89 112.91 112.27 3kz9 h THR 183 Ca 0.00 -0.81 -0.12 0.00 -0.55 0.00 0.00 66.41 64.93 3kz9 h THR 183 Cb 1.04 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3kz9 h THR 183 CO 1.15 0.09 -0.20 0.00 -0.25 0.00 0.00 175.52 176.31 3kz9 h ALA 184 N 1.91 0.76 -0.16 6.62 0.00 -1.99 0.22 119.26 126.63 3kz9 h ALA 184 Ca -0.00 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.35 3kz9 h ALA 184 Cb 0.66 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kz9 h ALA 184 CO 0.01 0.66 -0.63 0.93 0.00 0.00 0.00 179.25 180.22 3kz9 h GLU 185 N 0.82 0.58 -0.45 0.00 5.08 -1.88 -2.49 114.58 116.24 3kz9 h GLU 185 Ca 0.11 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 57.97 3kz9 h GLU 185 Cb 0.76 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3kz9 h GLU 185 CO 0.06 1.03 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.96 3kz9 h LEU 186 N 0.43 0.85 -0.86 1.33 3.38 -1.27 -1.33 115.31 117.83 3kz9 h LEU 186 Ca -0.01 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3kz9 h LEU 186 Cb 1.21 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 3kz9 h LEU 186 CO 0.12 0.99 0.56 0.28 0.09 0.00 0.00 178.44 180.48 3kz9 h SER 187 N 0.68 0.94 -0.86 -0.43 0.02 -0.58 -0.81 113.55 112.52 3kz9 h SER 187 Ca 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3kz9 h SER 187 Cb 0.61 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3kz9 h SER 187 CO 0.04 0.66 0.42 0.50 -1.14 0.00 0.00 176.83 177.31 3kz9 h LYS 188 N 1.11 1.24 -0.61 3.45 3.64 -1.30 -2.35 116.57 121.74 3kz9 h LYS 188 Ca 0.33 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3kz9 h LYS 188 Cb -0.05 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 3kz9 h LYS 188 CO -0.10 0.94 0.17 1.25 -2.27 0.00 0.00 179.45 179.45 3kz9 h LEU 189 N 1.22 0.90 -0.16 5.20 5.85 -0.69 -0.44 115.31 127.19 3kz9 h LEU 189 Ca 0.30 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3kz9 h LEU 189 Cb 0.11 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3kz9 h LEU 189 CO -0.04 0.88 -0.34 0.58 -0.34 0.00 0.00 178.44 179.19 3kz9 h VAL 190 N 0.88 0.25 -0.42 1.05 2.07 -0.82 0.72 116.25 119.97 3kz9 h VAL 190 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 3kz9 h VAL 190 Cb 0.32 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3kz9 h VAL 190 CO -0.00 0.00 0.28 0.28 0.02 0.00 0.00 177.57 178.15 3kz9 h SER 191 N -0.40 0.48 -0.24 0.57 0.02 -1.32 -1.01 113.55 111.66 3kz9 h SER 191 Ca 0.10 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kz9 h SER 191 Cb 0.56 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 3kz9 h SER 191 CO -0.38 0.35 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.17 3kz9 h SER 192 N 0.57 -0.66 -0.33 3.07 0.87 -0.81 -0.24 113.55 116.01 3kz9 h SER 192 Ca 0.16 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3kz9 h SER 192 Cb -0.06 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3kz9 h SER 192 CO -0.04 -0.24 0.17 1.88 -0.53 0.00 0.00 176.83 178.07 3kz9 h TYR 193 N -0.21 0.46 -0.30 2.24 0.99 -0.70 -2.74 116.97 116.72 3kz9 h TYR 193 Ca 0.14 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 3kz9 h TYR 193 Cb 0.41 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 37.98 3kz9 h TYR 193 CO -0.36 0.39 0.02 -0.07 -0.00 0.00 0.00 178.16 178.14 3kz9 h LEU 194 N 0.41 0.42 -3.70 3.88 3.38 -0.89 -3.15 115.31 115.65 3kz9 h LEU 194 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3kz9 h LEU 194 Cb 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kz9 h LEU 194 CO -0.02 0.46 0.01 0.47 0.09 0.00 0.00 178.44 179.46 3kz9 n ASP 195 N -4.32 2.67 -0.25 -0.43 8.00 -0.13 -4.77 116.55 117.31 3kz9 n ASP 195 Ca 0.01 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3kz9 n ASP 195 Cb 0.21 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 1.95 0.00 -3.68 0.64 4.77 -1.19 -5.03 117.00 114.46 3kz9 n LEU 197 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 3kz9 n LEU 197 Cb 0.29 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 3kz9 n LEU 197 CO 0.04 0.00 2.72 0.00 -1.33 0.00 0.00 177.39 178.82 3kz9 s ILE 199 N 3.21 2.11 0.18 0.00 1.01 -1.26 -4.54 121.20 121.92 3kz9 s ILE 199 Ca 0.50 -1.02 0.11 0.00 0.00 0.00 0.00 60.65 60.23 3kz9 s ILE 199 Cb 0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3kz9 s ILE 199 CO -0.07 0.56 -0.21 -0.31 0.00 0.00 0.00 174.94 174.91 3kz9 s TYR 200 N 0.07 2.39 -0.28 3.97 2.02 0.16 -5.02 117.35 120.66 3kz9 s TYR 200 Ca -0.11 -0.32 -0.23 0.00 -0.37 0.00 0.00 57.07 56.04 3kz9 s TYR 200 Cb -0.16 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3kz9 s TYR 200 CO 0.06 0.48 0.74 0.21 -1.57 0.00 0.00 175.55 175.48 3kz9 s LYS 201 N -2.63 4.04 0.56 -0.62 2.20 -1.26 -4.64 119.74 117.39 3kz9 s LYS 201 Ca 0.21 0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 56.29 3kz9 s LYS 201 Cb -0.08 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.49 3kz9 s LYS 201 CO 0.11 -0.56 1.02 -0.98 -0.36 0.00 0.00 175.35 174.58 3kz9 s ARG 202 N 2.78 3.63 0.00 4.03 1.70 -1.26 -5.05 118.95 124.77 3kz9 s ARG 202 Ca 0.31 1.07 0.00 0.00 -0.47 0.00 0.00 55.73 56.63 3kz9 s ARG 202 Cb -0.15 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.15 3kz9 s ARG 202 CO 0.10 -0.55 0.00 -1.91 -1.08 0.00 0.00 175.30 171.86