#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yku h LEU 7 N 5.22 0.00 -0.48 0.00 3.38 -2.00 -3.01 115.31 118.41 1yku h LEU 7 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yku h LEU 7 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1yku h LEU 7 CO 0.40 0.55 0.31 0.25 0.09 0.00 0.00 178.44 180.04 1yku h LEU 8 N 0.00 0.56 -0.33 1.67 5.85 -1.97 -0.13 115.31 120.96 1yku h LEU 8 Ca -0.01 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yku h LEU 8 Cb 1.13 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1yku h LEU 8 CO 0.07 0.42 0.14 0.00 -0.34 0.00 0.00 178.44 178.73 1yku h ARG 10 N 0.30 0.93 0.29 0.00 2.47 -1.37 0.22 114.38 117.22 1yku h ARG 10 Ca 0.14 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 1yku h ARG 10 Cb 0.08 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1yku h ARG 10 CO -0.12 0.79 -0.14 -0.92 0.56 0.00 0.00 179.97 180.14 1yku h TYR 11 N 0.87 -0.36 -0.68 3.04 3.20 -0.90 -0.97 116.97 121.17 1yku h TYR 11 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1yku h TYR 11 Cb 0.20 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1yku h TYR 11 CO 0.01 -0.22 0.23 -0.07 -1.64 0.00 0.00 178.16 176.47 1yku h LEU 12 N -0.39 0.98 -0.42 2.82 3.38 -0.97 0.06 115.31 120.77 1yku h LEU 12 Ca -0.04 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1yku h LEU 12 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1yku h LEU 12 CO 0.06 0.92 0.26 0.50 0.09 0.00 0.00 178.44 180.27 1yku h LYS 13 N 0.99 0.51 -0.19 1.13 1.63 -0.45 -0.39 116.57 119.82 1yku h LYS 13 Ca 0.22 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.84 1yku h LYS 13 Cb 0.27 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1yku h LYS 13 CO -0.01 0.34 -0.51 0.93 -3.45 0.00 0.00 179.45 176.75 1yku h GLU 14 N 0.53 0.51 -0.57 1.90 4.39 -0.97 -3.27 114.58 117.11 1yku h GLU 14 Ca 0.16 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1yku h GLU 14 Cb -0.02 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1yku h GLU 14 CO -0.06 0.90 0.00 0.54 -1.16 0.00 0.00 179.01 179.23 1yku n ARG 15 N -3.97 3.38 -0.16 2.33 5.12 -0.01 -4.72 116.66 118.63 1yku n ARG 15 Ca -0.03 -2.72 -0.03 0.00 -1.93 0.00 0.00 57.85 53.15 1yku n ARG 15 Cb 0.57 -1.74 0.06 0.00 -1.16 0.00 0.00 32.46 30.20 1yku n ARG 15 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 1yku h GLN 16 N 3.51 0.27 -0.46 5.56 -0.00 -1.12 0.20 115.11 123.06 1yku h GLN 16 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1yku h GLN 16 Cb 1.27 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.67 1yku h GLN 16 CO 0.16 0.18 0.25 0.93 -0.00 0.00 0.00 178.83 180.35 1yku h GLU 17 N 0.28 0.65 -0.49 0.06 5.08 -1.87 -2.29 114.58 116.00 1yku h GLU 17 Ca 0.24 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1yku h GLU 17 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1yku h GLU 17 CO -0.29 0.52 0.19 -0.22 -1.00 0.00 0.00 179.01 178.21 1yku h LYS 18 N 0.61 0.74 -0.41 2.33 1.63 -1.71 -1.40 116.57 118.36 1yku h LYS 18 Ca 0.16 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1yku h LYS 18 Cb 0.07 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.54 1yku h LYS 18 CO -0.02 0.67 0.19 0.35 -3.45 0.00 0.00 179.45 177.18 1yku h PHE 19 N 0.66 0.35 -0.62 1.91 3.04 -0.48 -1.59 116.94 120.21 1yku h PHE 19 Ca 0.16 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1yku h PHE 19 Cb 0.21 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1yku h PHE 19 CO 0.01 0.18 0.03 0.82 -2.02 0.00 0.00 178.31 177.32 1yku h ILE 20 N 0.39 1.26 -0.35 1.41 1.08 -1.28 -0.91 117.51 119.11 1yku h ILE 20 Ca 0.18 -1.11 0.01 0.00 -0.39 0.00 0.00 64.86 63.54 1yku h ILE 20 Cb 0.10 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1yku h ILE 20 CO -0.13 0.41 0.22 0.77 -0.69 0.00 0.00 178.15 178.72 1yku h SER 21 N 0.98 0.37 -0.61 1.72 4.64 -0.84 -0.50 113.55 119.31 1yku h SER 21 Ca 0.18 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1yku h SER 21 Cb 0.52 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1yku h SER 21 CO 0.02 0.27 0.18 -0.78 -0.87 0.00 0.00 176.83 175.65 1yku h ASP 22 N 0.45 0.89 -0.41 4.97 3.58 -1.15 -3.05 116.42 121.70 1yku h ASP 22 Ca 0.14 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.37 1yku h ASP 22 Cb -0.02 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.77 1yku h ASP 22 CO -0.05 0.87 0.25 -0.25 -2.88 0.00 0.00 179.24 177.18 1yku h TRP 23 N 0.87 0.53 -0.27 0.28 7.01 -0.91 -2.56 115.95 120.90 1yku h TRP 23 Ca 0.19 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.28 1yku h TRP 23 Cb 0.30 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 1yku h TRP 23 CO 0.02 0.36 0.20 -0.22 -2.79 0.00 0.00 178.44 176.02 1yku h LYS 24 N 0.54 0.00 0.00 2.65 3.64 -0.98 -0.23 116.57 122.19 1yku h LYS 24 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1yku h LYS 24 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1yku h LYS 24 CO -0.03 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.78 1yku n LYS 25 N -4.35 0.19 0.00 1.90 4.76 -0.96 -3.85 118.16 115.85 1yku n LYS 25 Ca 0.03 0.28 0.03 0.00 -2.87 0.00 0.00 58.31 55.78 1yku n LYS 25 Cb 0.36 -1.78 -0.02 0.00 -1.84 0.00 0.00 35.03 31.75 1yku n LYS 25 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1yku n LYS 26 N -2.13 3.95 -3.17 1.97 5.02 -0.12 -5.04 118.16 118.64 1yku n LYS 26 Ca 0.04 -0.18 -0.22 0.00 -2.02 0.00 0.00 58.31 55.93 1yku n LYS 26 Cb 0.33 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 1yku n LYS 26 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1yku s VAL 27 N -1.40 4.25 -0.63 -0.18 -7.23 -1.07 -5.02 120.40 109.13 1yku s VAL 27 Ca 0.04 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.40 1yku s VAL 27 Cb 0.05 -3.55 0.08 0.00 0.56 0.00 0.00 36.38 33.52 1yku s VAL 27 CO 0.23 -0.35 0.87 -0.63 -0.31 0.00 0.00 175.10 174.91 1yku s ILE 28 N -2.43 4.49 -0.10 -0.62 1.01 -1.26 -4.98 121.20 117.32 1yku s ILE 28 Ca 0.46 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 1yku s ILE 28 Cb -0.10 -4.60 0.05 0.00 0.01 0.00 0.00 42.46 37.82 1yku s ILE 28 CO 0.36 -1.32 0.13 -0.63 0.00 0.00 0.00 174.94 173.48 1yku s ILE 29 N 3.60 -0.20 0.09 2.92 1.01 -1.26 -4.95 121.20 122.41 1yku s ILE 29 Ca 0.19 0.26 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1yku s ILE 29 Cb -0.19 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1yku s ILE 29 CO 0.10 0.06 0.30 -0.13 0.00 0.00 0.00 174.94 175.27 1yku s ARG 30 N 2.24 3.54 0.55 2.79 0.52 -1.26 -4.99 118.95 122.35 1yku s ARG 30 Ca 0.04 -0.23 0.23 0.00 -0.52 0.00 0.00 55.73 55.26 1yku s ARG 30 Cb -0.13 -2.95 1.54 0.00 0.52 0.00 0.00 34.95 33.93 1yku s ARG 30 CO -0.06 0.55 2.19 0.93 0.02 0.00 0.00 175.30 178.92 1yku h GLU 31 N 3.07 0.00 0.00 3.54 4.39 -2.02 -1.30 114.58 122.25 1yku h GLU 31 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1yku h GLU 31 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1yku h GLU 31 CO 0.73 0.02 0.00 2.89 -1.16 0.00 0.00 179.01 181.49 1yku n ARG 32 N -4.13 0.19 -2.04 2.33 1.85 -1.26 -4.81 116.66 108.78 1yku n ARG 32 Ca -0.03 0.10 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 1yku n ARG 32 Cb 0.11 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 29.99 1yku n ARG 32 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1yku s ASP 33 N -2.74 6.70 0.57 2.89 -1.08 -0.49 -4.88 116.67 117.63 1yku s ASP 33 Ca 0.16 2.26 0.37 0.00 -0.52 0.00 0.00 52.55 54.83 1yku s ASP 33 Cb 0.14 -2.55 1.85 0.00 -1.46 0.00 0.00 42.92 40.90 1yku s ASP 33 CO 0.35 -0.87 2.13 1.55 0.52 0.00 0.00 175.17 178.85 1yku h PRO 34 N 8.84 0.00 -0.06 4.34 0.13 -1.89 -2.46 132.00 140.90 1yku h PRO 34 Ca -0.39 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1yku h PRO 34 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1yku h PRO 34 CO 0.94 0.00 -0.35 0.66 -0.23 0.00 0.00 178.00 179.02 1yku n TYR 35 N -2.96 0.19 -0.33 1.56 4.02 -1.26 -4.81 117.16 113.57 1yku n TYR 35 Ca -0.01 -1.42 0.11 0.00 -0.01 0.00 0.00 57.90 56.56 1yku n TYR 35 Cb 0.17 -0.27 0.29 0.00 -0.02 0.00 0.00 39.34 39.50 1yku n TYR 35 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 1yku h LYS 36 N 0.87 0.68 -0.11 -0.72 2.10 -1.76 -0.87 116.57 116.76 1yku h LYS 36 Ca 0.03 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 1yku h LYS 36 Cb 1.11 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.28 1yku h LYS 36 CO 0.06 0.45 -0.65 0.93 -2.00 0.00 0.00 179.45 178.24 1yku h GLU 37 N 0.70 0.44 -0.20 0.07 3.07 -1.87 -2.79 114.58 114.00 1yku h GLU 37 Ca 0.54 -0.33 -0.08 0.00 -0.50 0.00 0.00 59.36 58.99 1yku h GLU 37 Cb 0.82 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1yku h GLU 37 CO -0.38 0.95 -0.23 0.93 -1.40 0.00 0.00 179.01 178.87 1yku h GLU 38 N 0.32 0.37 -0.57 2.33 4.39 -1.61 -2.47 114.58 117.34 1yku h GLU 38 Ca -0.02 -0.13 0.05 0.00 0.34 0.00 0.00 59.36 59.61 1yku h GLU 38 Cb 1.21 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.78 1yku h GLU 38 CO 0.11 0.59 0.30 0.82 -1.16 0.00 0.00 179.01 179.67 1yku h ILE 39 N 0.34 0.96 -0.33 3.13 2.04 -0.93 0.33 117.51 123.05 1yku h ILE 39 Ca 0.05 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1yku h ILE 39 Cb 0.60 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1yku h ILE 39 CO 0.04 0.10 -0.02 0.40 0.00 0.00 0.00 178.15 178.67 1yku h ILE 40 N 0.57 1.27 -0.79 -0.67 1.08 -1.52 -0.98 117.51 116.47 1yku h ILE 40 Ca 0.25 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1yku h ILE 40 Cb 0.16 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 1yku h ILE 40 CO -0.17 0.33 0.41 0.11 -0.69 0.00 0.00 178.15 178.14 1yku h LYS 41 N 0.39 1.11 -0.80 2.37 1.57 -1.00 -0.74 116.57 119.48 1yku h LYS 41 Ca 0.09 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1yku h LYS 41 Cb 0.48 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 1yku h LYS 41 CO 0.02 0.84 0.51 -0.91 -0.57 0.00 0.00 179.45 179.34 1yku h ASN 42 N 1.10 0.94 -0.51 0.86 2.35 -0.21 -1.16 115.58 118.94 1yku h ASN 42 Ca 0.27 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1yku h ASN 42 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1yku h ASN 42 CO -0.04 0.70 0.30 1.23 -1.65 0.00 0.00 177.43 177.97 1yku h GLY 43 N 1.09 0.75 0.96 2.83 0.00 -0.55 0.26 103.07 108.41 1yku h GLY 43 Ca 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1yku h GLY 43 CO -0.06 0.31 0.19 0.83 0.00 0.00 0.00 176.54 177.81 1yku h GLU 44 N 0.69 0.48 -0.25 4.80 5.08 -0.97 -1.01 114.58 123.40 1yku h GLU 44 Ca 0.18 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1yku h GLU 44 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1yku h GLU 44 CO -0.03 0.41 0.11 1.25 -1.00 0.00 0.00 179.01 179.74 1yku h HIS 45 N 0.43 0.37 0.00 4.33 2.76 -0.97 -2.53 115.15 119.54 1yku h HIS 45 Ca 0.12 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1yku h HIS 45 Cb 0.06 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1yku h HIS 45 CO -0.03 0.37 -0.43 -0.07 -1.30 0.00 0.00 177.93 176.47 1yku h LEU 46 N 0.26 0.00 -0.52 0.26 3.38 -0.79 -0.64 115.31 117.26 1yku h LEU 46 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1yku h LEU 46 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1yku h LEU 46 CO -0.01 0.43 0.09 0.25 0.09 0.00 0.00 178.44 179.30 1yku h LEU 47 N 0.00 0.82 -0.86 1.67 5.85 -1.10 1.00 115.31 122.69 1yku h LEU 47 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1yku h LEU 47 Cb 0.87 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1yku h LEU 47 CO 0.06 0.87 0.49 0.28 -0.34 0.00 0.00 178.44 179.80 1yku h SER 48 N 0.74 1.05 -0.51 1.25 0.02 -0.97 -2.00 113.55 113.12 1yku h SER 48 Ca 0.16 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1yku h SER 48 Cb 0.39 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1yku h SER 48 CO 0.01 0.82 0.01 0.00 -1.14 0.00 0.00 176.83 176.53 1yku h ALA 49 N 1.27 0.96 -0.59 3.77 0.00 -0.76 -1.88 119.26 122.02 1yku h ALA 49 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yku h ALA 49 Cb -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1yku h ALA 49 CO -0.05 0.63 0.37 0.35 0.00 0.00 0.00 179.25 180.55 1yku h PHE 50 N 0.88 0.77 -0.44 0.00 3.04 -0.42 0.66 116.94 121.43 1yku h PHE 50 Ca 0.16 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.10 1yku h PHE 50 Cb 0.50 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1yku h PHE 50 CO 0.03 0.51 0.21 0.82 -2.02 0.00 0.00 178.31 177.86 1yku h ILE 51 N 0.80 1.19 -0.46 1.41 2.04 -1.11 -0.58 117.51 120.80 1yku h ILE 51 Ca 0.22 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1yku h ILE 51 Cb -0.05 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1yku h ILE 51 CO -0.04 0.21 0.17 0.24 0.00 0.00 0.00 178.15 178.72 1yku h MET 52 N 0.57 0.66 -0.38 2.37 2.86 -0.91 -1.93 114.93 118.18 1yku h MET 52 Ca 0.15 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 1yku h MET 52 Cb 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1yku h MET 52 CO -0.02 0.56 -0.19 -0.92 1.06 0.00 0.00 176.91 177.40 1yku h TYR 53 N 0.65 0.91 -0.83 -0.22 3.20 -0.26 0.35 116.97 120.78 1yku h TYR 53 Ca 0.16 -0.23 0.03 0.00 3.14 0.00 0.00 58.73 61.82 1yku h TYR 53 Cb 0.15 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 1yku h TYR 53 CO 0.01 0.98 0.55 -0.07 -1.64 0.00 0.00 178.16 177.98 1yku h LEU 54 N 0.59 0.91 -0.05 2.82 3.38 -0.77 -1.34 115.31 120.84 1yku h LEU 54 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yku h LEU 54 Cb 0.74 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1yku h LEU 54 CO 0.06 0.64 0.00 0.29 0.09 0.00 0.00 178.44 179.51 1yku n LYS 55 N -4.43 1.03 -2.63 1.13 5.02 -0.76 -4.91 118.16 112.61 1yku n LYS 55 Ca 0.10 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 1yku n LYS 55 Cb 0.08 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1yku n LYS 55 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1yku n GLU 56 N -0.81 -2.86 0.01 1.97 1.02 -0.51 -4.91 120.64 114.55 1yku n GLU 56 Ca 0.18 0.84 0.11 0.00 -0.02 0.00 0.00 57.16 58.26 1yku n GLU 56 Cb 0.09 -5.40 -0.11 0.00 -0.02 0.00 0.00 31.44 26.01 1yku n GLU 56 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yku n GLU 57 N -3.17 0.40 -4.22 3.49 1.02 0.06 -4.94 120.64 113.28 1yku n GLU 57 Ca -0.16 -0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.77 1yku n GLU 57 Cb 0.63 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1yku n GLU 57 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1yku s ILE 58 N -3.30 0.82 0.25 -3.67 -4.36 -1.22 -4.98 121.20 104.73 1yku s ILE 58 Ca -0.01 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.45 1yku s ILE 58 Cb 0.14 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.95 1yku s ILE 58 CO 0.87 -0.71 0.37 -0.94 0.24 0.00 0.00 174.94 174.77 1yku s SER 59 N -3.12 6.29 0.51 4.36 1.04 -1.26 -4.64 113.70 116.88 1yku s SER 59 Ca 0.17 0.05 0.16 0.00 0.48 0.00 0.00 55.95 56.81 1yku s SER 59 Cb 0.05 -1.81 1.24 0.00 0.10 0.00 0.00 66.02 65.60 1yku s SER 59 CO -0.00 -0.10 2.14 -0.07 0.98 0.00 0.00 173.24 176.18 1yku h LEU 60 N 1.14 0.01 -2.02 2.42 3.38 -1.99 -2.01 115.31 116.25 1yku h LEU 60 Ca -0.51 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.57 1yku h LEU 60 Cb 1.23 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1yku h LEU 60 CO 0.60 0.02 0.30 -0.61 0.09 0.00 0.00 178.44 178.84 1yku h GLN 61 N 0.02 0.00 0.00 1.13 -0.00 -2.03 -2.25 115.11 111.98 1yku h GLN 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1yku h GLN 61 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.50 1yku h GLN 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 178.83 179.22 1yku n GLU 62 N -4.35 0.20 0.00 1.69 1.02 -0.75 -1.93 120.64 116.51 1yku n GLU 62 Ca 0.07 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 1yku n GLU 62 Cb 0.49 -1.88 0.25 0.00 -0.02 0.00 0.00 31.44 30.28 1yku n GLU 62 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1yku n ILE 63 N -2.25 0.00 -0.11 -3.67 -5.35 -0.85 -4.39 119.36 102.74 1yku n ILE 63 Ca 0.02 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.20 1yku n ILE 63 Cb 0.23 0.89 0.20 0.00 -1.74 0.00 0.00 39.64 39.22 1yku n ILE 63 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1yku h GLU 64 N 2.55 0.79 -0.72 6.28 5.08 -1.52 -1.47 114.58 125.57 1yku h GLU 64 Ca 0.00 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1yku h GLU 64 Cb 0.68 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1yku h GLU 64 CO 0.00 0.73 0.34 0.97 -1.00 0.00 0.00 179.01 180.05 1yku h ILE 65 N 0.76 1.23 -0.44 3.13 6.09 -1.78 -1.54 117.51 124.96 1yku h ILE 65 Ca 0.17 -0.65 -0.14 0.00 -1.37 0.00 0.00 64.86 62.87 1yku h ILE 65 Cb 0.31 0.32 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 1yku h ILE 65 CO 0.00 0.27 -0.27 0.74 -3.07 0.00 0.00 178.15 175.82 1yku h THR 66 N 1.02 1.27 -0.89 2.19 2.02 -1.71 -2.31 112.91 114.50 1yku h THR 66 Ca 0.25 -1.44 0.05 0.00 0.77 0.00 0.00 66.41 66.04 1yku h THR 66 Cb 0.11 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1yku h THR 66 CO -0.03 0.49 0.57 0.28 0.37 0.00 0.00 175.52 177.20 1yku h SER 67 N 0.81 0.92 -0.49 4.18 0.02 -0.72 -0.02 113.55 118.25 1yku h SER 67 Ca 0.09 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1yku h SER 67 Cb 0.85 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 1yku h SER 67 CO 0.08 0.61 -0.09 0.11 -1.14 0.00 0.00 176.83 176.40 1yku h LYS 68 N 1.07 0.96 -0.07 3.45 1.57 -1.01 -1.15 116.57 121.38 1yku h LYS 68 Ca 0.37 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1yku h LYS 68 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1yku h LYS 68 CO -0.15 1.00 0.03 -0.22 -0.57 0.00 0.00 179.45 179.55 1yku h LYS 69 N 0.86 0.10 -0.29 3.15 3.64 -0.86 -1.67 116.57 121.49 1yku h LYS 69 Ca 0.14 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1yku h LYS 69 Cb 0.63 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1yku h LYS 69 CO 0.04 0.18 0.08 0.82 -2.27 0.00 0.00 179.45 178.30 1yku h ILE 70 N -0.00 0.89 -0.70 2.00 2.04 -0.90 -1.86 117.51 118.98 1yku h ILE 70 Ca 0.02 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1yku h ILE 70 Cb 0.11 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1yku h ILE 70 CO -0.00 0.04 0.40 0.00 0.00 0.00 0.00 178.15 178.59 1yku h ALA 71 N 1.20 0.94 -0.81 1.87 0.00 -1.09 0.71 119.26 122.08 1yku h ALA 71 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1yku h ALA 71 Cb 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1yku h ALA 71 CO -0.16 0.10 0.44 -0.09 0.00 0.00 0.00 179.25 179.55 1yku h ARG 72 N 0.75 1.14 -0.46 0.00 9.65 -0.95 -1.21 114.38 123.30 1yku h ARG 72 Ca 0.31 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.98 1yku h ARG 72 Cb 0.17 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1yku h ARG 72 CO -0.17 0.84 -0.01 0.93 2.80 0.00 0.00 179.97 184.36 1yku h GLU 73 N 1.13 0.82 -0.63 0.20 5.08 -0.66 -1.89 114.58 118.64 1yku h GLU 73 Ca 0.29 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1yku h GLU 73 Cb 0.04 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1yku h GLU 73 CO -0.05 0.88 0.15 0.00 -1.00 0.00 0.00 179.01 178.99 1yku h ARG 74 N 0.67 0.99 -0.24 2.33 2.47 -0.61 -0.50 114.38 119.49 1yku h ARG 74 Ca 0.13 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1yku h ARG 74 Cb 0.51 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1yku h ARG 74 CO 0.03 0.88 0.13 0.82 0.56 0.00 0.00 179.97 182.39 1yku h ILE 75 N 0.95 1.01 0.00 2.04 2.04 -1.01 -2.30 117.51 120.24 1yku h ILE 75 Ca 0.20 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 1yku h ILE 75 Cb 0.34 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1yku h ILE 75 CO 0.00 0.05 -0.31 0.44 0.00 0.00 0.00 178.15 178.34 1yku h ASP 76 N 0.28 0.00 1.11 1.72 3.45 -0.94 -1.91 116.42 120.13 1yku h ASP 76 Ca 0.10 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.56 1yku h ASP 76 Cb 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1yku h ASP 76 CO -0.05 0.31 0.00 0.00 -1.57 0.00 0.00 179.24 177.92 1yku n ALA 77 N -2.47 1.96 -2.42 3.45 0.00 -0.23 -4.92 120.51 115.89 1yku n ALA 77 Ca -0.02 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1yku n ALA 77 Cb 0.35 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1yku n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yku n LYS 78 N -2.29 -1.79 -3.66 0.00 5.02 -0.72 -4.91 118.16 109.81 1yku n LYS 78 Ca 0.04 0.93 -0.22 0.00 -2.02 0.00 0.00 58.31 57.03 1yku n LYS 78 Cb 0.33 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 1yku n LYS 78 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1yku s VAL 79 N -2.98 5.15 0.09 -0.18 -7.23 -1.23 -5.06 120.40 108.96 1yku s VAL 79 Ca 0.02 -0.73 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 1yku s VAL 79 Cb -0.01 -3.85 -0.09 0.00 0.56 0.00 0.00 36.38 32.99 1yku s VAL 79 CO 0.03 -0.44 1.75 0.21 -0.31 0.00 0.00 175.10 176.34 1yku s ASN 80 N -4.01 6.52 0.50 4.85 3.84 -1.26 -4.87 114.94 120.50 1yku s ASN 80 Ca 0.37 2.61 0.34 0.00 0.21 0.00 0.00 52.86 56.38 1yku s ASN 80 Cb -0.09 -2.56 1.78 0.00 -0.55 0.00 0.00 41.25 39.82 1yku s ASN 80 CO 0.33 -0.95 2.03 -0.29 -2.79 0.00 0.00 177.10 175.42 1yku h ILE 81 N 4.84 0.00 0.00 -5.21 6.09 -1.97 -1.20 117.51 120.06 1yku h ILE 81 Ca -0.44 -0.05 -0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1yku h ILE 81 Cb 1.21 0.83 -0.00 0.00 0.47 0.00 0.00 36.82 39.33 1yku h ILE 81 CO 0.94 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.98 1yku h ALA 82 N 2.02 1.09 -0.68 0.18 0.00 -2.00 -2.53 119.26 117.33 1yku h ALA 82 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1yku h ALA 82 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1yku h ALA 82 CO 0.00 0.05 0.17 0.93 0.00 0.00 0.00 179.25 180.40 1yku h GLU 83 N 0.00 1.07 -0.77 0.00 5.08 -1.60 -0.33 114.58 118.03 1yku h GLU 83 Ca -0.00 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1yku h GLU 83 Cb 0.28 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 1yku h GLU 83 CO 0.01 0.94 0.48 0.35 -1.00 0.00 0.00 179.01 179.78 1yku h PHE 84 N 1.02 0.88 -0.17 4.33 3.57 -1.64 0.14 116.94 125.07 1yku h PHE 84 Ca 0.22 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1yku h PHE 84 Cb 0.34 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1yku h PHE 84 CO 0.03 0.48 0.10 0.82 -2.23 0.00 0.00 178.31 177.51 1yku h ILE 85 N 0.90 1.08 -0.50 1.41 2.04 -1.31 -0.06 117.51 121.07 1yku h ILE 85 Ca 0.32 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1yku h ILE 85 Cb 0.08 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1yku h ILE 85 CO -0.14 0.07 0.19 -0.74 0.00 0.00 0.00 178.15 177.54 1yku h HIS 86 N 0.20 0.34 -0.26 1.37 2.76 -0.71 -0.13 115.15 118.72 1yku h HIS 86 Ca 0.06 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.15 1yku h HIS 86 Cb 0.03 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1yku h HIS 86 CO -0.05 0.13 -0.28 -0.91 -1.30 0.00 0.00 177.93 175.51 1yku h ASN 87 N 0.38 0.53 -0.29 3.26 2.35 -0.68 -1.29 115.58 119.84 1yku h ASN 87 Ca 0.24 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 1yku h ASN 87 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1yku h ASN 87 CO -0.23 0.79 -0.13 0.74 -1.65 0.00 0.00 177.43 176.96 1yku h THR 88 N 0.45 1.29 -0.12 2.81 2.02 -0.66 -3.02 112.91 115.68 1yku h THR 88 Ca 0.06 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1yku h THR 88 Cb 0.73 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1yku h THR 88 CO 0.06 0.39 -0.05 0.78 0.37 0.00 0.00 175.52 177.07 1yku h ASN 89 N 0.36 0.16 -0.58 4.18 2.35 -0.49 -1.76 115.58 119.80 1yku h ASN 89 Ca 0.07 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1yku h ASN 89 Cb 0.64 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 1yku h ASN 89 CO 0.04 0.24 0.38 0.58 -1.65 0.00 0.00 177.43 177.02 1yku h VAL 90 N 0.17 1.14 -0.29 2.81 2.07 -1.12 -0.43 116.25 120.61 1yku h VAL 90 Ca 0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1yku h VAL 90 Cb 0.20 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1yku h VAL 90 CO 0.01 0.14 0.11 0.00 0.02 0.00 0.00 177.57 177.85 1yku h ALA 91 N 1.22 0.37 -0.44 1.67 0.00 -1.34 -2.30 119.26 118.44 1yku h ALA 91 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yku h ALA 91 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1yku h ALA 91 CO -0.05 -0.02 0.29 -0.22 0.00 0.00 0.00 179.25 179.24 1yku h LYS 92 N 0.31 0.58 -0.78 0.00 3.64 -0.99 -0.71 116.57 118.62 1yku h LYS 92 Ca 0.09 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1yku h LYS 92 Cb 0.19 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1yku h LYS 92 CO -0.01 0.39 0.51 0.82 -2.27 0.00 0.00 179.45 178.89 1yku h ILE 93 N 0.59 1.18 -0.44 2.00 2.04 -1.03 -0.75 117.51 121.10 1yku h ILE 93 Ca 0.16 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 1yku h ILE 93 Cb -0.06 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1yku h ILE 93 CO -0.03 0.19 -0.23 -0.08 0.00 0.00 0.00 178.15 177.99 1yku h GLU 94 N 1.04 0.92 -0.70 2.37 4.57 -0.94 -0.32 114.58 121.51 1yku h GLU 94 Ca 0.29 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1yku h GLU 94 Cb -0.09 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 1yku h GLU 94 CO -0.07 1.05 0.44 0.82 -1.18 0.00 0.00 179.01 180.07 1yku h ILE 95 N 0.79 1.12 -0.79 2.32 2.04 -0.79 -0.66 117.51 121.54 1yku h ILE 95 Ca 0.10 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.63 1yku h ILE 95 Cb 0.79 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 1yku h ILE 95 CO 0.07 0.16 0.38 0.24 0.00 0.00 0.00 178.15 179.00 1yku h MET 96 N 0.88 1.13 -0.76 2.37 2.86 -0.75 -0.50 114.93 120.17 1yku h MET 96 Ca 0.27 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1yku h MET 96 Cb -0.02 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 1yku h MET 96 CO -0.09 0.87 0.33 -0.91 1.06 0.00 0.00 176.91 178.17 1yku h ASN 97 N 1.12 1.02 -0.46 1.22 2.35 -0.45 -1.50 115.58 118.86 1yku h ASN 97 Ca 0.27 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1yku h ASN 97 Cb 0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1yku h ASN 97 CO -0.03 0.89 0.01 0.40 -1.65 0.00 0.00 177.43 177.04 1yku h ILE 98 N 1.08 1.26 -0.63 2.81 2.04 -0.74 -1.81 117.51 121.52 1yku h ILE 98 Ca 0.26 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1yku h ILE 98 Cb 0.17 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1yku h ILE 98 CO -0.03 0.36 0.40 0.25 0.00 0.00 0.00 178.15 179.13 1yku h LEU 99 N 0.66 0.67 -0.72 1.44 5.85 -0.81 -1.20 115.31 121.20 1yku h LEU 99 Ca 0.13 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1yku h LEU 99 Cb 0.49 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1yku h LEU 99 CO 0.02 0.48 0.42 0.74 -0.34 0.00 0.00 178.44 179.76 1yku h THR 100 N 0.80 1.21 -0.18 1.05 2.02 -1.09 -2.82 112.91 113.91 1yku h THR 100 Ca 0.24 -0.50 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 1yku h THR 100 Cb -0.03 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1yku h THR 100 CO -0.08 0.23 -0.43 -0.07 0.37 0.00 0.00 175.52 175.54 1yku h LEU 101 N 0.99 0.45 -0.30 2.58 3.38 -0.65 -2.37 115.31 119.38 1yku h LEU 101 Ca 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1yku h LEU 101 Cb 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1yku h LEU 101 CO -0.04 0.82 0.00 0.18 0.09 0.00 0.00 178.44 179.49 1yku n LEU 102 N -4.01 0.20 -2.93 1.67 4.77 -0.52 -4.93 117.00 111.25 1yku n LEU 102 Ca -0.02 0.56 -0.15 0.00 -0.03 0.00 0.00 56.01 56.37 1yku n LEU 102 Cb 0.51 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1yku n LEU 102 CO 0.44 -0.45 0.12 -3.20 -1.33 0.00 0.00 177.39 172.98 1yku n ASN 103 N -1.74 -3.16 -4.77 -1.43 5.15 -0.89 -5.00 115.26 103.42 1yku n ASN 103 Ca 0.02 -0.47 -0.30 0.00 -0.60 0.00 0.00 54.58 53.23 1yku n ASN 103 Cb 0.13 -4.14 0.11 0.00 -0.53 0.00 0.00 39.78 35.34 1yku n ASN 103 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1yku s PRO 104 N -5.39 1.83 0.84 1.20 0.04 -1.26 -5.05 135.00 127.21 1yku s PRO 104 Ca 0.15 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1yku s PRO 104 Cb -0.07 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.69 1yku s PRO 104 CO 0.58 -1.82 1.17 0.16 0.04 0.00 0.00 177.00 177.13 1yku s ASP 105 N -3.73 4.17 0.20 6.66 1.47 -1.26 -4.78 116.67 119.41 1yku s ASP 105 Ca 0.62 0.84 -0.10 0.00 1.18 0.00 0.00 52.55 55.09 1yku s ASP 105 Cb -0.16 -1.36 0.23 0.00 -0.34 0.00 0.00 42.92 41.29 1yku s ASP 105 CO 0.55 -2.12 1.79 0.25 0.68 0.00 0.00 175.17 176.32 1yku h LEU 106 N -1.20 0.45 -0.20 2.11 5.85 -1.98 -0.70 115.31 119.64 1yku h LEU 106 Ca -0.48 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1yku h LEU 106 Cb 1.33 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1yku h LEU 106 CO 0.65 0.29 0.09 -0.61 -0.34 0.00 0.00 178.44 178.52 1yku h GLN 107 N 0.59 0.19 -0.51 1.25 4.15 -1.99 0.67 115.11 119.45 1yku h GLN 107 Ca 0.29 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.58 1yku h GLN 107 Cb 0.21 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 1yku h GLN 107 CO -0.20 0.12 -0.11 0.37 -1.93 0.00 0.00 178.83 177.09 1yku h GLN 108 N 0.19 0.97 -0.14 1.69 5.75 -1.86 -2.03 115.11 119.69 1yku h GLN 108 Ca 0.08 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.23 1yku h GLN 108 Cb 0.03 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1yku h GLN 108 CO -0.07 1.04 0.06 -0.92 -2.65 0.00 0.00 178.83 176.29 1yku h TYR 109 N 0.84 0.11 -0.72 3.99 3.20 -0.80 -1.58 116.97 122.00 1yku h TYR 109 Ca 0.13 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 1yku h TYR 109 Cb 0.67 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1yku h TYR 109 CO 0.05 0.06 0.47 1.96 -1.64 0.00 0.00 178.16 179.06 1yku h GLN 110 N 0.13 0.95 -0.65 1.82 4.20 -0.72 -0.42 115.11 120.43 1yku h GLN 110 Ca 0.06 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1yku h GLN 110 Cb 0.02 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1yku h GLN 110 CO -0.05 0.64 0.15 0.00 -0.67 0.00 0.00 178.83 178.90 1yku h ALA 111 N 1.26 0.85 -0.09 3.87 0.00 -1.05 -2.26 119.26 121.84 1yku h ALA 111 Ca 0.26 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1yku h ALA 111 Cb -0.11 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1yku h ALA 111 CO -0.06 0.57 -0.89 -0.07 0.00 0.00 0.00 179.25 178.80 1yku h LEU 112 N 0.96 0.92 -0.63 0.00 3.38 -1.11 -2.76 115.31 116.07 1yku h LEU 112 Ca 0.20 -0.66 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1yku h LEU 112 Cb 0.37 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1yku h LEU 112 CO 0.00 1.46 0.31 0.58 0.09 0.00 0.00 178.44 180.88 1yku h VAL 113 N 0.47 0.88 -0.31 1.22 2.07 -1.00 0.75 116.25 120.34 1yku h VAL 113 Ca -0.09 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.27 1yku h VAL 113 Cb 1.53 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1yku h VAL 113 CO 0.18 0.10 0.12 0.50 0.02 0.00 0.00 177.57 178.50 1yku h LYS 114 N 0.55 0.26 -0.65 1.57 3.64 -1.34 -0.19 116.57 120.43 1yku h LYS 114 Ca 0.30 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.58 1yku h LYS 114 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1yku h LYS 114 CO -0.23 0.17 0.08 0.87 -2.27 0.00 0.00 179.45 178.08 1yku h LYS 115 N 0.27 1.08 -0.10 1.90 1.57 -1.12 -0.65 116.57 119.52 1yku h LYS 115 Ca 0.14 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1yku h LYS 115 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1yku h LYS 115 CO -0.12 1.01 0.07 0.82 -0.57 0.00 0.00 179.45 180.65 1yku h ILE 116 N 1.00 1.04 -0.42 1.86 2.04 -0.66 -1.31 117.51 121.05 1yku h ILE 116 Ca 0.19 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1yku h ILE 116 Cb 0.47 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1yku h ILE 116 CO 0.02 0.03 0.23 0.78 0.00 0.00 0.00 178.15 179.21 1yku h ASN 117 N 0.13 0.53 -0.48 1.72 2.35 -0.85 -1.90 115.58 117.08 1yku h ASN 117 Ca 0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1yku h ASN 117 Cb -0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1yku h ASN 117 CO -0.01 0.47 0.31 1.56 -1.65 0.00 0.00 177.43 178.12 1yku h GLN 118 N 0.55 0.62 0.63 0.81 4.20 -0.89 0.89 115.11 121.92 1yku h GLN 118 Ca 0.15 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1yku h GLN 118 Cb 0.06 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 27.71 1yku h GLN 118 CO -0.02 0.41 -0.30 0.35 -0.67 0.00 0.00 178.83 178.59 1yku h PHE 119 N 0.64 -0.79 -0.33 2.96 3.57 -1.09 -1.89 116.94 120.01 1yku h PHE 119 Ca 0.18 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.55 1yku h PHE 119 Cb -0.06 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1yku h PHE 119 CO -0.05 -0.47 -0.26 0.74 -2.23 0.00 0.00 178.31 176.05 1yku h PHE 120 N -0.92 0.75 -0.55 0.41 0.04 -1.30 -1.15 116.94 114.22 1yku h PHE 120 Ca -0.09 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 1yku h PHE 120 Cb 0.68 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 1yku h PHE 120 CO -0.02 0.85 0.26 -0.44 -0.60 0.00 0.00 178.31 178.36 1yku h ASP 121 N 0.57 0.72 -0.40 2.17 3.32 -0.83 -0.99 116.42 120.99 1yku h ASP 121 Ca 0.08 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1yku h ASP 121 Cb 0.74 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1yku h ASP 121 CO 0.06 0.66 0.00 -0.74 -1.72 0.00 0.00 179.24 177.50 1yku h HIS 122 N 0.74 0.76 -0.43 4.55 2.76 -1.05 -0.42 115.15 122.06 1yku h HIS 122 Ca 0.19 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1yku h HIS 122 Cb 0.13 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1yku h HIS 122 CO -0.00 0.78 0.28 1.25 -1.30 0.00 0.00 177.93 178.93 1yku h LEU 123 N 0.53 0.47 0.03 0.26 5.85 -1.03 0.17 115.31 121.58 1yku h LEU 123 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1yku h LEU 123 Cb 0.47 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1yku h LEU 123 CO 0.02 0.34 -0.02 0.40 -0.34 0.00 0.00 178.44 178.85 1yku h ILE 124 N 0.57 1.23 -0.07 4.05 2.04 -1.08 -2.33 117.51 121.92 1yku h ILE 124 Ca 0.16 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1yku h ILE 124 Cb -0.04 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1yku h ILE 124 CO -0.05 0.21 -0.14 0.22 0.00 0.00 0.00 178.15 178.40 1yku h TYR 125 N -0.41 -0.35 -0.16 1.37 3.20 -0.96 -1.61 116.97 118.05 1yku h TYR 125 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 1yku h TYR 125 Cb 0.38 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1yku h TYR 125 CO 0.05 -0.20 -0.36 1.88 -1.64 0.00 0.00 178.16 177.89 1yku h TYR 126 N -0.19 0.39 -0.10 -3.82 -1.99 -0.99 0.31 116.97 110.58 1yku h TYR 126 Ca 0.07 -0.10 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1yku h TYR 126 Cb 0.29 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1yku h TYR 126 CO -0.23 0.66 -0.18 1.15 -0.00 0.00 0.00 178.16 179.56 1yku h THR 127 N 0.29 1.39 -0.51 -2.88 2.02 -1.28 -0.67 112.91 111.27 1yku h THR 127 Ca 0.03 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.73 1yku h THR 127 Cb 0.77 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1yku h THR 127 CO 0.06 0.41 0.17 0.58 0.37 0.00 0.00 175.52 177.12 1yku h VAL 128 N -0.15 1.23 -0.37 3.16 2.07 -1.20 -0.60 116.25 120.40 1yku h VAL 128 Ca 0.01 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1yku h VAL 128 Cb 0.75 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1yku h VAL 128 CO 0.04 0.28 0.04 -0.74 0.02 0.00 0.00 177.57 177.20 1yku h HIS 129 N 0.69 0.05 -0.33 1.57 6.17 -0.89 -2.00 115.15 120.40 1yku h HIS 129 Ca 0.17 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.16 1yku h HIS 129 Cb 0.25 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 1yku h HIS 129 CO 0.01 -0.03 -0.26 1.03 0.71 0.00 0.00 177.93 179.39 1yku h SER 130 N 0.15 0.69 -0.29 3.26 0.87 -0.93 -1.11 113.55 116.20 1yku h SER 130 Ca 0.18 -0.26 0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1yku h SER 130 Cb 0.23 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.96 1yku h SER 130 CO -0.27 0.93 0.04 0.22 -0.53 0.00 0.00 176.83 177.23 1yku h TYR 131 N 0.59 0.07 -0.36 2.24 3.20 -0.72 0.76 116.97 122.75 1yku h TYR 131 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1yku h TYR 131 Cb 0.76 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1yku h TYR 131 CO 0.03 0.01 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.51 1yku h TYR 132 N 0.15 0.83 -0.71 -3.82 3.20 -1.09 -1.74 116.97 113.78 1yku h TYR 132 Ca 0.14 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 1yku h TYR 132 Cb 0.15 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 1yku h TYR 132 CO -0.18 0.90 0.24 0.93 -1.64 0.00 0.00 178.16 178.41 1yku h GLU 133 N 0.52 1.09 0.00 1.82 4.39 -0.90 -3.12 114.58 118.39 1yku h GLU 133 Ca 0.09 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.44 1yku h GLU 133 Cb 0.66 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1yku h GLU 133 CO 0.04 0.92 -0.63 1.96 -1.16 0.00 0.00 179.01 180.15 1yku h GLN 134 N 1.05 0.00 -0.07 2.33 4.20 -0.71 -3.38 115.11 118.53 1yku h GLN 134 Ca 0.23 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.70 1yku h GLN 134 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1yku h GLN 134 CO -0.01 0.63 -0.91 -0.22 -0.67 0.00 0.00 178.83 177.65 1yku h LYS 135 N 0.00 0.73 0.00 1.46 3.64 -1.25 -3.51 116.57 117.63 1yku h LYS 135 Ca -0.01 -0.68 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1yku h LYS 135 Cb 1.41 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1yku h LYS 135 CO 0.08 1.28 0.00 0.00 -2.27 0.00 0.00 179.45 178.54