#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 6.33 0.49 -1.06 0.00 5.85 -2.01 -2.36 115.31 122.56 1yku h LEU 7 Ca 0.09 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1yku h LEU 7 Cb 1.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1yku h LEU 7 CO 0.17 0.55 0.42 0.25 -0.34 0.00 0.00 178.44 179.50 1yku h LEU 8 N 0.51 0.97 -0.18 2.25 5.85 -1.97 -0.69 115.31 122.05 1yku h LEU 8 Ca 0.11 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1yku h LEU 8 Cb 0.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1yku h LEU 8 CO 0.01 0.78 0.04 0.00 -0.34 0.00 0.00 178.44 178.93 1yku h ARG 10 N 0.10 0.62 0.12 0.00 2.47 -1.14 0.22 114.38 116.76 1yku h ARG 10 Ca 0.06 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1yku h ARG 10 Cb 0.27 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 1yku h ARG 10 CO 0.00 0.47 -0.27 -0.92 0.56 0.00 0.00 179.97 179.81 1yku h TYR 11 N 0.60 -0.72 -0.52 3.04 3.20 -1.05 -1.78 116.97 119.74 1yku h TYR 11 Ca 0.16 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1yku h TYR 11 Cb 0.02 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1yku h TYR 11 CO -0.03 -0.37 0.08 -0.07 -1.64 0.00 0.00 178.16 176.13 1yku h LEU 12 N -0.48 0.77 -0.53 2.82 3.38 -0.93 -0.57 115.31 119.78 1yku h LEU 12 Ca 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1yku h LEU 12 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1yku h LEU 12 CO -0.15 0.79 0.27 0.50 0.09 0.00 0.00 178.44 179.94 1yku h LYS 13 N 0.78 0.75 -0.08 1.13 3.64 -0.76 -0.21 116.57 121.82 1yku h LYS 13 Ca 0.16 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 1yku h LYS 13 Cb 0.36 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1yku h LYS 13 CO 0.01 0.60 -0.65 1.49 -2.27 0.00 0.00 179.45 178.64 1yku h GLU 14 N 0.70 0.30 -0.64 1.90 4.57 -1.08 -3.30 114.58 117.04 1yku h GLU 14 Ca 0.18 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1yku h GLU 14 Cb 0.09 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1yku h GLU 14 CO -0.03 0.85 0.00 0.54 -1.18 0.00 0.00 179.01 179.19 1yku n ARG 15 N -3.86 3.28 -0.18 1.92 5.12 -0.24 -4.68 116.66 118.03 1yku n ARG 15 Ca -0.03 -2.74 -0.02 0.00 -1.93 0.00 0.00 57.85 53.13 1yku n ARG 15 Cb 0.65 -1.72 0.05 0.00 -1.16 0.00 0.00 32.46 30.27 1yku n ARG 15 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1yku h GLN 16 N 3.90 -0.00 -0.46 5.56 4.20 -1.12 0.16 115.11 127.35 1yku h GLN 16 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1yku h GLN 16 Cb 1.23 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1yku h GLN 16 CO 0.13 -0.00 0.12 0.93 -0.67 0.00 0.00 178.83 179.34 1yku h GLU 17 N -0.00 0.73 -0.53 1.46 5.08 -1.87 -1.48 114.58 117.96 1yku h GLU 17 Ca 0.26 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1yku h GLU 17 Cb 0.41 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1yku h GLU 17 CO -0.57 0.72 0.11 -0.22 -1.00 0.00 0.00 179.01 178.05 1yku h LYS 18 N 0.61 0.87 -0.33 2.33 3.64 -1.62 -1.60 116.57 120.48 1yku h LYS 18 Ca 0.15 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1yku h LYS 18 Cb 0.31 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1yku h LYS 18 CO -0.00 0.83 0.19 0.35 -2.27 0.00 0.00 179.45 178.56 1yku h PHE 19 N 0.76 0.36 -0.57 1.91 3.57 -0.46 -1.47 116.94 121.04 1yku h PHE 19 Ca 0.17 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1yku h PHE 19 Cb 0.37 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1yku h PHE 19 CO 0.03 0.21 -0.05 0.82 -2.23 0.00 0.00 178.31 177.09 1yku h ILE 20 N 0.39 1.27 -0.53 1.41 1.08 -1.19 -0.70 117.51 119.24 1yku h ILE 20 Ca 0.13 -1.20 -0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1yku h ILE 20 Cb 0.00 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1yku h ILE 20 CO -0.06 0.43 0.32 -1.28 -0.69 0.00 0.00 178.15 176.87 1yku h SER 21 N 0.93 0.64 -0.55 1.72 0.87 -1.02 0.08 113.55 116.21 1yku h SER 21 Ca 0.16 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 1yku h SER 21 Cb 0.61 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1yku h SER 21 CO 0.04 0.52 0.11 0.44 -0.53 0.00 0.00 176.83 177.41 1yku h ASP 22 N 0.72 0.85 -0.55 6.23 3.32 -1.16 -3.10 116.42 122.72 1yku h ASP 22 Ca 0.19 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1yku h ASP 22 Cb -0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1yku h ASP 22 CO -0.04 0.88 0.24 -0.25 -1.72 0.00 0.00 179.24 178.35 1yku h TRP 23 N 0.79 0.83 -0.88 4.55 7.01 -0.78 -2.60 115.95 124.87 1yku h TRP 23 Ca 0.17 -0.05 0.20 0.00 2.11 0.00 0.00 58.89 61.31 1yku h TRP 23 Cb 0.37 -0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.12 1yku h TRP 23 CO 0.03 0.66 0.59 -0.22 -2.79 0.00 0.00 178.44 176.70 1yku h LYS 24 N 0.75 0.38 0.00 2.65 3.64 -0.92 -0.42 116.57 122.66 1yku h LYS 24 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1yku h LYS 24 Cb 0.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1yku h LYS 24 CO -0.02 0.25 0.00 0.87 -2.27 0.00 0.00 179.45 178.28 1yku h LYS 25 N 0.39 0.00 0.00 1.90 1.57 -1.42 -3.30 116.57 115.72 1yku h LYS 25 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1yku h LYS 25 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1yku h LYS 25 CO -0.16 0.00 -0.83 1.63 -0.57 0.00 0.00 179.45 179.52 1yku n LYS 26 N -2.50 1.89 -2.65 3.15 5.02 -0.20 -5.01 118.16 117.85 1yku n LYS 26 Ca 0.03 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.06 1yku n LYS 26 Cb 0.35 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.49 3.70 -0.47 -0.18 -7.23 -0.99 -5.02 120.40 107.72 1yku s VAL 27 Ca 0.04 -0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 59.77 1yku s VAL 27 Cb 0.11 -3.42 0.05 0.00 0.56 0.00 0.00 36.38 33.67 1yku s VAL 27 CO 0.61 -0.37 0.53 -0.63 -0.31 0.00 0.00 175.10 174.94 1yku s ILE 28 N -2.80 4.99 -0.12 -0.62 1.01 -1.26 -5.02 121.20 117.38 1yku s ILE 28 Ca 0.52 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 1yku s ILE 28 Cb -0.10 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1yku s ILE 28 CO 0.42 -0.63 -0.03 -0.63 0.00 0.00 0.00 174.94 174.06 1yku s ILE 29 N 2.35 0.75 0.18 2.92 1.01 -1.26 -4.97 121.20 122.17 1yku s ILE 29 Ca 0.13 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 1yku s ILE 29 Cb -0.19 -0.91 -0.08 0.00 0.01 0.00 0.00 42.46 41.30 1yku s ILE 29 CO 0.12 0.21 0.91 -0.13 0.00 0.00 0.00 174.94 176.05 1yku s ARG 30 N 1.81 4.74 0.47 2.79 0.52 -1.26 -4.96 118.95 123.06 1yku s ARG 30 Ca 0.03 1.39 0.13 0.00 -0.52 0.00 0.00 55.73 56.77 1yku s ARG 30 Cb -0.14 -3.31 1.09 0.00 0.52 0.00 0.00 34.95 33.11 1yku s ARG 30 CO -0.07 0.42 2.07 1.49 0.02 0.00 0.00 175.30 179.24 1yku h GLU 31 N 4.70 0.11 0.00 3.54 4.57 -2.04 -1.65 114.58 123.82 1yku h GLU 31 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1yku h GLU 31 Cb 1.20 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1yku h GLU 31 CO 0.69 0.14 0.00 2.89 -1.18 0.00 0.00 179.01 181.55 1yku n ARG 32 N -4.45 0.02 -2.10 1.92 1.85 -1.26 -4.85 116.66 107.79 1yku n ARG 32 Ca -0.02 0.15 -0.42 0.00 -1.00 0.00 0.00 57.85 56.56 1yku n ARG 32 Cb 0.14 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.02 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 -2.97 6.74 0.30 2.89 -1.08 -0.62 -4.87 116.67 117.06 1yku s ASP 33 Ca 0.10 2.16 0.24 0.00 -0.52 0.00 0.00 52.55 54.54 1yku s ASP 33 Cb 0.13 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 40.12 1yku s ASP 33 CO 0.37 -0.85 1.73 1.55 0.52 0.00 0.00 175.17 178.49 1yku h PRO 34 N 8.85 0.00 -0.15 4.34 0.13 -1.90 -2.81 132.00 140.46 1yku h PRO 34 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1yku h PRO 34 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1yku h PRO 34 CO 0.94 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 179.25 1yku n TYR 35 N -2.32 0.51 0.08 1.56 4.02 -1.26 -4.74 117.16 115.02 1yku n TYR 35 Ca 0.01 -1.22 0.05 0.00 -0.01 0.00 0.00 57.90 56.73 1yku n TYR 35 Cb 0.20 -0.30 0.47 0.00 -0.02 0.00 0.00 39.34 39.69 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 0.90 0.36 -0.20 -0.72 2.10 -1.83 -1.20 116.57 115.97 1yku h LYS 36 Ca 0.06 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.51 1yku h LYS 36 Cb 1.28 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1yku h LYS 36 CO 0.16 0.28 -0.56 0.93 -2.00 0.00 0.00 179.45 178.26 1yku h GLU 37 N 0.36 0.62 0.00 0.07 3.07 -1.87 -2.97 114.58 113.86 1yku h GLU 37 Ca 0.09 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.50 1yku h GLU 37 Cb 0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1yku h GLU 37 CO -0.01 1.01 -0.27 0.93 -1.40 0.00 0.00 179.01 179.27 1yku h GLU 38 N 0.47 0.00 -0.30 2.33 4.39 -1.60 -2.73 114.58 117.15 1yku h GLU 38 Ca 0.01 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1yku h GLU 38 Cb 1.12 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 1yku h GLU 38 CO 0.11 0.27 0.08 0.82 -1.16 0.00 0.00 179.01 179.13 1yku h ILE 39 N 0.00 0.89 -0.38 3.13 2.04 -1.18 0.33 117.51 122.33 1yku h ILE 39 Ca -0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1yku h ILE 39 Cb 0.50 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1yku h ILE 39 CO 0.04 0.04 0.20 0.40 0.00 0.00 0.00 178.15 178.82 1yku h ILE 40 N 0.20 1.16 -0.76 -0.67 1.08 -1.56 -0.97 117.51 115.98 1yku h ILE 40 Ca 0.14 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1yku h ILE 40 Cb 0.13 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 1yku h ILE 40 CO -0.16 0.17 0.35 0.11 -0.69 0.00 0.00 178.15 177.93 1yku h LYS 41 N 0.49 1.11 -0.70 2.37 1.57 -1.17 -0.09 116.57 120.15 1yku h LYS 41 Ca 0.13 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1yku h LYS 41 Cb 0.09 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1yku h LYS 41 CO -0.02 0.87 0.37 -0.91 -0.57 0.00 0.00 179.45 179.20 1yku h ASN 42 N 1.08 0.88 -0.53 0.86 2.35 -0.22 -1.19 115.58 118.81 1yku h ASN 42 Ca 0.26 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1yku h ASN 42 Cb 0.14 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1yku h ASN 42 CO -0.03 0.73 0.30 1.23 -1.65 0.00 0.00 177.43 178.01 1yku h GLY 43 N 0.96 0.78 0.98 2.83 0.00 -0.58 -0.62 103.07 107.43 1yku h GLY 43 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1yku h GLY 43 CO -0.04 0.33 0.29 0.83 0.00 0.00 0.00 176.54 177.95 1yku h GLU 44 N 0.71 0.72 -0.41 4.80 5.08 -0.78 -0.66 114.58 124.05 1yku h GLU 44 Ca 0.19 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1yku h GLU 44 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1yku h GLU 44 CO -0.03 0.56 0.05 1.25 -1.00 0.00 0.00 179.01 179.84 1yku h HIS 45 N 0.69 0.73 0.00 4.33 2.76 -1.03 -2.47 115.15 120.17 1yku h HIS 45 Ca 0.18 -0.11 -0.11 0.00 -2.20 0.00 0.00 60.37 58.14 1yku h HIS 45 Cb 0.04 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1yku h HIS 45 CO -0.02 0.72 -0.51 -0.07 -1.30 0.00 0.00 177.93 176.75 1yku h LEU 46 N 0.53 0.00 -0.34 0.26 3.38 -0.96 -1.07 115.31 117.11 1yku h LEU 46 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1yku h LEU 46 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1yku h LEU 46 CO 0.01 0.51 0.04 0.25 0.09 0.00 0.00 178.44 179.34 1yku h LEU 47 N 0.00 0.55 -0.70 1.67 5.85 -0.99 0.64 115.31 122.33 1yku h LEU 47 Ca -0.01 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1yku h LEU 47 Cb 1.05 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 1yku h LEU 47 CO 0.07 0.68 0.41 0.28 -0.34 0.00 0.00 178.44 179.54 1yku h SER 48 N 0.40 0.64 -0.71 1.25 0.02 -1.14 -1.96 113.55 112.04 1yku h SER 48 Ca 0.10 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 1yku h SER 48 Cb 0.37 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1yku h SER 48 CO 0.01 0.42 0.19 0.00 -1.14 0.00 0.00 176.83 176.31 1yku h ALA 49 N 1.34 0.99 -0.50 3.77 0.00 -0.95 -2.22 119.26 121.69 1yku h ALA 49 Ca 0.30 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1yku h ALA 49 Cb 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1yku h ALA 49 CO -0.16 0.66 0.27 0.35 0.00 0.00 0.00 179.25 180.37 1yku h PHE 50 N 1.08 0.50 -0.28 0.00 3.04 -0.53 0.79 116.94 121.53 1yku h PHE 50 Ca 0.23 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.19 1yku h PHE 50 Cb 0.34 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1yku h PHE 50 CO 0.03 0.26 0.16 0.82 -2.02 0.00 0.00 178.31 177.55 1yku h ILE 51 N 0.53 1.11 -0.85 1.41 2.04 -1.06 -0.94 117.51 119.75 1yku h ILE 51 Ca 0.21 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1yku h ILE 51 Cb 0.09 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1yku h ILE 51 CO -0.13 0.11 0.55 0.24 0.00 0.00 0.00 178.15 178.91 1yku h MET 52 N 0.34 1.14 -0.60 2.37 2.86 -1.09 -2.10 114.93 117.86 1yku h MET 52 Ca 0.10 -0.08 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1yku h MET 52 Cb 0.04 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1yku h MET 52 CO -0.02 0.77 0.15 -0.92 1.06 0.00 0.00 176.91 177.95 1yku h TYR 53 N 1.16 0.99 -0.35 -0.22 3.20 -0.24 0.34 116.97 121.87 1yku h TYR 53 Ca 0.31 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1yku h TYR 53 Cb -0.10 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 1yku h TYR 53 CO 0.00 0.84 0.18 -0.07 -1.64 0.00 0.00 178.16 177.47 1yku h LEU 54 N 0.86 0.42 -0.36 2.82 3.38 -0.70 -0.95 115.31 120.78 1yku h LEU 54 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1yku h LEU 54 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yku h LEU 54 CO 0.00 0.35 -0.03 0.29 0.09 0.00 0.00 178.44 179.14 1yku n LYS 55 N -4.44 1.10 -2.62 1.13 5.02 -0.83 -4.91 118.16 112.61 1yku n LYS 55 Ca 0.02 -0.36 -0.14 0.00 -2.02 0.00 0.00 58.31 55.81 1yku n LYS 55 Cb 0.10 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -0.64 -2.63 -0.00 1.97 1.02 -0.36 -4.93 120.64 115.07 1yku n GLU 56 Ca 0.20 0.61 0.10 0.00 -0.02 0.00 0.00 57.16 58.05 1yku n GLU 56 Cb 0.23 -4.83 -0.14 0.00 -0.02 0.00 0.00 31.44 26.69 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 -2.72 0.35 -4.23 3.49 -0.58 0.03 -4.95 120.64 112.04 1yku n GLU 57 Ca -0.10 -0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.43 1yku n GLU 57 Cb 0.59 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.87 1yku n GLU 57 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1yku s ILE 58 N -3.20 0.96 0.39 -3.67 -4.36 -1.24 -4.96 121.20 105.12 1yku s ILE 58 Ca 0.01 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1yku s ILE 58 Cb 0.15 -1.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 1yku s ILE 58 CO 0.87 -0.75 0.58 -0.94 0.24 0.00 0.00 174.94 174.94 1yku s SER 59 N -3.13 5.96 0.50 4.36 1.04 -1.26 -4.64 113.70 116.53 1yku s SER 59 Ca 0.16 0.16 0.18 0.00 0.48 0.00 0.00 55.95 56.93 1yku s SER 59 Cb 0.04 -1.54 1.23 0.00 0.10 0.00 0.00 66.02 65.85 1yku s SER 59 CO -0.01 -0.53 2.09 -0.07 0.98 0.00 0.00 173.24 175.70 1yku h LEU 60 N 0.63 0.00 -2.24 2.42 3.38 -1.99 -1.80 115.31 115.71 1yku h LEU 60 Ca -0.47 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.53 1yku h LEU 60 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1yku h LEU 60 CO 0.57 0.08 0.10 0.06 0.09 0.00 0.00 178.44 179.34 1yku h GLN 61 N 0.00 0.00 0.00 1.13 -0.00 -2.03 -1.82 115.11 112.39 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1yku h GLN 61 CO 0.01 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.23 1yku n GLU 62 N -4.04 0.18 0.00 0.06 1.02 -0.68 -1.75 120.64 115.44 1yku n GLU 62 Ca -0.00 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1yku n GLU 62 Cb 0.21 -1.85 0.37 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.19 0.00 0.08 -3.67 -5.35 -0.68 -4.33 119.36 103.21 1yku n ILE 63 Ca 0.02 -0.21 -0.01 0.00 -0.27 0.00 0.00 62.75 62.27 1yku n ILE 63 Cb 0.21 0.61 0.26 0.00 -1.74 0.00 0.00 39.64 38.98 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 2.02 0.30 -0.74 6.28 5.08 -1.48 -1.54 114.58 124.51 1yku h GLU 64 Ca 0.00 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1yku h GLU 64 Cb 0.57 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1yku h GLU 64 CO 0.00 0.58 0.44 0.97 -1.00 0.00 0.00 179.01 180.00 1yku h ILE 65 N 0.27 1.01 -0.31 3.13 2.10 -1.77 -1.22 117.51 120.72 1yku h ILE 65 Ca 0.04 -0.28 -0.16 0.00 1.08 0.00 0.00 64.86 65.54 1yku h ILE 65 Cb 0.67 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.52 1yku h ILE 65 CO 0.05 0.15 -0.44 0.74 -1.08 0.00 0.00 178.15 177.56 1yku h THR 66 N 0.81 1.28 -0.87 2.19 2.02 -1.64 -2.36 112.91 114.35 1yku h THR 66 Ca 0.33 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1yku h THR 66 Cb 0.16 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1yku h THR 66 CO -0.17 0.53 0.47 -1.28 0.37 0.00 0.00 175.52 175.44 1yku h SER 67 N 0.64 1.10 -0.26 4.18 0.87 -0.88 -0.01 113.55 119.18 1yku h SER 67 Ca 0.04 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1yku h SER 67 Cb 1.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1yku h SER 67 CO 0.10 0.89 -0.17 0.11 -0.53 0.00 0.00 176.83 177.23 1yku h LYS 68 N 1.22 0.70 -0.03 2.24 1.57 -1.10 -1.30 116.57 119.88 1yku h LYS 68 Ca 0.31 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1yku h LYS 68 Cb 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1yku h LYS 68 CO -0.05 0.83 0.01 -0.22 -0.57 0.00 0.00 179.45 179.46 1yku h LYS 69 N 0.63 0.05 -0.25 3.15 3.64 -0.85 -1.76 116.57 121.18 1yku h LYS 69 Ca 0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1yku h LYS 69 Cb 0.64 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 1yku h LYS 69 CO 0.05 0.25 -0.02 0.82 -2.27 0.00 0.00 179.45 178.27 1yku h ILE 70 N -0.15 0.80 -0.54 2.00 2.04 -0.91 -1.73 117.51 119.02 1yku h ILE 70 Ca 0.01 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1yku h ILE 70 Cb 0.22 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1yku h ILE 70 CO -0.00 0.01 0.31 0.00 0.00 0.00 0.00 178.15 178.46 1yku h ALA 71 N 1.23 0.70 -0.67 1.87 0.00 -1.09 0.01 119.26 121.31 1yku h ALA 71 Ca 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1yku h ALA 71 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yku h ALA 71 CO -0.22 -0.00 0.19 0.07 0.00 0.00 0.00 179.25 179.28 1yku h ARG 72 N 0.60 1.04 -0.48 0.00 0.11 -1.07 -1.42 114.38 113.15 1yku h ARG 72 Ca 0.23 -0.22 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 1yku h ARG 72 Cb 0.07 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 30.99 1yku h ARG 72 CO -0.12 0.90 0.07 0.93 0.10 0.00 0.00 179.97 181.84 1yku h GLU 73 N 0.99 0.81 -0.78 0.08 5.08 -0.75 -1.88 114.58 118.13 1yku h GLU 73 Ca 0.22 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1yku h GLU 73 Cb 0.31 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1yku h GLU 73 CO -0.00 0.82 0.31 0.00 -1.00 0.00 0.00 179.01 179.13 1yku h ARG 74 N 0.68 1.17 -0.13 2.33 2.47 -0.71 0.25 114.38 120.43 1yku h ARG 74 Ca 0.15 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1yku h ARG 74 Cb 0.41 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1yku h ARG 74 CO 0.01 0.95 0.02 0.82 0.56 0.00 0.00 179.97 182.33 1yku h ILE 75 N 1.14 0.94 0.00 2.04 2.04 -1.10 -2.59 117.51 119.97 1yku h ILE 75 Ca 0.26 -0.02 -0.09 0.00 1.00 0.00 0.00 64.86 66.00 1yku h ILE 75 Cb 0.22 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1yku h ILE 75 CO -0.02 0.01 -0.45 0.44 0.00 0.00 0.00 178.15 178.13 1yku h ASP 76 N 0.07 0.00 0.89 1.72 3.32 -0.88 -2.26 116.42 119.28 1yku h ASP 76 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1yku h ASP 76 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1yku h ASP 76 CO -0.08 0.45 0.00 0.00 -1.72 0.00 0.00 179.24 177.89 1yku h ALA 77 N 1.55 1.00 -6.11 3.45 0.00 -0.80 -3.48 119.26 114.88 1yku h ALA 77 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.47 1yku h ALA 77 Cb 0.87 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.70 1yku h ALA 77 CO 0.06 0.00 -0.79 1.63 0.00 0.00 0.00 179.25 180.15 1yku n LYS 78 N -2.43 -5.50 -4.26 0.00 5.02 -0.85 -4.91 118.16 105.23 1yku n LYS 78 Ca 0.02 0.65 -0.30 0.00 -2.02 0.00 0.00 58.31 56.66 1yku n LYS 78 Cb 0.27 -5.39 -0.10 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.50 3.22 0.02 -0.18 -7.23 -1.23 -5.08 120.40 106.43 1yku s VAL 79 Ca 0.28 -1.32 -0.33 0.00 -1.81 0.00 0.00 61.98 58.79 1yku s VAL 79 Cb -0.14 -2.49 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 1yku s VAL 79 CO 0.81 0.12 1.83 -3.20 -0.31 0.00 0.00 175.10 174.35 1yku n ASN 80 N 0.76 3.62 0.33 4.85 2.85 -1.26 -4.84 115.26 121.58 1yku n ASN 80 Ca -0.14 0.99 0.22 0.00 -0.11 0.00 0.00 54.58 55.53 1yku n ASN 80 Cb 0.52 -1.44 1.17 0.00 1.24 0.00 0.00 39.78 41.27 1yku n ASN 80 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1yku h ILE 81 N 4.97 0.09 0.00 -1.44 6.09 -1.98 -1.30 117.51 123.94 1yku h ILE 81 Ca -0.48 -0.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 1yku h ILE 81 Cb 1.25 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 1yku h ILE 81 CO 0.94 0.00 -0.06 0.00 -3.07 0.00 0.00 178.15 175.96 1yku h ALA 82 N 2.00 1.16 -0.97 0.18 0.00 -2.00 -2.37 119.26 117.25 1yku h ALA 82 Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yku h ALA 82 Cb 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1yku h ALA 82 CO 0.00 0.07 0.64 0.93 0.00 0.00 0.00 179.25 180.89 1yku h GLU 83 N 0.00 1.29 -0.92 0.00 5.08 -1.61 -0.55 114.58 117.87 1yku h GLU 83 Ca -0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1yku h GLU 83 Cb 0.27 -0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 1yku h GLU 83 CO 0.01 0.86 0.56 0.35 -1.00 0.00 0.00 179.01 179.79 1yku h PHE 84 N 1.33 1.22 -0.15 4.33 3.57 -1.61 0.80 116.94 126.42 1yku h PHE 84 Ca 0.36 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1yku h PHE 84 Cb -0.14 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.20 1yku h PHE 84 CO 0.00 0.81 0.06 0.82 -2.23 0.00 0.00 178.31 177.77 1yku h ILE 85 N 1.27 1.15 -0.46 1.41 2.04 -1.30 -0.19 117.51 121.43 1yku h ILE 85 Ca 0.33 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1yku h ILE 85 Cb -0.05 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1yku h ILE 85 CO -0.06 0.14 0.16 -0.74 0.00 0.00 0.00 178.15 177.64 1yku h HIS 86 N 0.10 0.28 -0.26 1.37 2.76 -0.72 -0.54 115.15 118.14 1yku h HIS 86 Ca 0.05 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.16 1yku h HIS 86 Cb 0.16 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1yku h HIS 86 CO -0.02 0.09 -0.22 -0.91 -1.30 0.00 0.00 177.93 175.58 1yku h ASN 87 N 0.33 0.47 -0.32 3.26 2.35 -0.56 -1.31 115.58 119.80 1yku h ASN 87 Ca 0.22 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1yku h ASN 87 Cb 0.23 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1yku h ASN 87 CO -0.23 0.70 -0.24 0.74 -1.65 0.00 0.00 177.43 176.75 1yku h THR 88 N 0.42 1.29 0.00 2.81 2.02 -0.69 -3.03 112.91 115.75 1yku h THR 88 Ca 0.07 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 1yku h THR 88 Cb 0.62 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1yku h THR 88 CO 0.04 0.45 -0.26 0.78 0.37 0.00 0.00 175.52 176.90 1yku h ASN 89 N 0.49 0.00 -0.63 4.18 2.35 -0.55 -1.51 115.58 119.91 1yku h ASN 89 Ca 0.06 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1yku h ASN 89 Cb 0.79 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.11 1yku h ASN 89 CO 0.06 0.26 0.36 0.58 -1.65 0.00 0.00 177.43 177.04 1yku h VAL 90 N 0.00 1.01 -0.29 2.81 2.07 -1.13 -0.17 116.25 120.54 1yku h VAL 90 Ca -0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1yku h VAL 90 Cb 0.48 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1yku h VAL 90 CO 0.03 0.12 -0.11 0.00 0.02 0.00 0.00 177.57 177.64 1yku h ALA 91 N 1.31 0.41 -0.54 1.67 0.00 -1.31 -2.38 119.26 118.41 1yku h ALA 91 Ca 0.27 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yku h ALA 91 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1yku h ALA 91 CO -0.15 0.27 0.34 -0.22 0.00 0.00 0.00 179.25 179.48 1yku h LYS 92 N 0.34 0.65 -0.64 0.00 3.64 -0.88 -0.82 116.57 118.86 1yku h LYS 92 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1yku h LYS 92 Cb 0.62 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1yku h LYS 92 CO 0.04 0.43 0.42 0.82 -2.27 0.00 0.00 179.45 178.89 1yku h ILE 93 N 0.67 1.17 -0.59 2.00 2.04 -0.99 -0.61 117.51 121.20 1yku h ILE 93 Ca 0.21 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1yku h ILE 93 Cb -0.00 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1yku h ILE 93 CO -0.08 0.17 0.05 -0.08 0.00 0.00 0.00 178.15 178.20 1yku h GLU 94 N 0.87 1.00 -0.82 2.37 4.57 -0.99 -0.84 114.58 120.74 1yku h GLU 94 Ca 0.23 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1yku h GLU 94 Cb -0.08 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.36 1yku h GLU 94 CO -0.05 0.97 0.45 0.82 -1.18 0.00 0.00 179.01 180.03 1yku h ILE 95 N 0.90 1.24 -0.84 2.32 2.04 -0.77 -0.54 117.51 121.86 1yku h ILE 95 Ca 0.17 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1yku h ILE 95 Cb 0.48 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1yku h ILE 95 CO 0.02 0.27 0.40 0.24 0.00 0.00 0.00 178.15 179.08 1yku h MET 96 N 1.14 1.22 -0.61 2.37 2.86 -0.83 -0.53 114.93 120.55 1yku h MET 96 Ca 0.29 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1yku h MET 96 Cb 0.02 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1yku h MET 96 CO -0.05 0.94 0.29 -0.91 1.06 0.00 0.00 176.91 178.24 1yku h ASN 97 N 1.21 0.80 -0.44 1.22 2.35 -0.49 -1.35 115.58 118.87 1yku h ASN 97 Ca 0.29 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1yku h ASN 97 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1yku h ASN 97 CO -0.04 0.71 0.06 0.40 -1.65 0.00 0.00 177.43 176.91 1yku h ILE 98 N 0.83 1.25 -0.59 2.81 2.04 -0.72 -1.91 117.51 121.22 1yku h ILE 98 Ca 0.21 -0.92 0.06 0.00 1.00 0.00 0.00 64.86 65.21 1yku h ILE 98 Cb 0.13 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1yku h ILE 98 CO -0.03 0.32 0.29 0.25 0.00 0.00 0.00 178.15 178.99 1yku h LEU 99 N 0.60 0.41 -0.46 1.44 5.85 -0.90 -1.03 115.31 121.21 1yku h LEU 99 Ca 0.13 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1yku h LEU 99 Cb 0.40 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1yku h LEU 99 CO 0.01 0.27 0.27 0.74 -0.34 0.00 0.00 178.44 179.39 1yku h THR 100 N 0.55 1.05 -0.04 1.05 2.02 -1.04 -2.77 112.91 113.73 1yku h THR 100 Ca 0.27 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.16 1yku h THR 100 Cb 0.21 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1yku h THR 100 CO -0.20 0.10 -0.44 -0.07 0.37 0.00 0.00 175.52 175.28 1yku h LEU 101 N 0.55 0.10 -0.64 2.58 3.38 -0.66 -1.42 115.31 119.20 1yku h LEU 101 Ca 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1yku h LEU 101 Cb 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yku h LEU 101 CO -0.08 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.16 1yku n LEU 102 N -4.01 0.59 -3.63 1.67 4.77 -0.46 -4.92 117.00 111.01 1yku n LEU 102 Ca -0.02 0.65 -0.29 0.00 -0.03 0.00 0.00 56.01 56.33 1yku n LEU 102 Cb 0.48 -0.57 0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1yku n LEU 102 CO 0.41 -0.53 -0.06 -3.20 -1.33 0.00 0.00 177.39 172.67 1yku n ASN 103 N -2.15 -5.19 -4.77 -1.43 5.15 -0.54 -4.99 115.26 101.34 1yku n ASN 103 Ca 0.02 -0.97 -0.31 0.00 -0.60 0.00 0.00 54.58 52.73 1yku n ASN 103 Cb 0.22 -3.66 0.09 0.00 -0.53 0.00 0.00 39.78 35.90 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 -5.77 2.21 0.98 1.20 0.04 -1.26 -5.05 135.00 127.34 1yku s PRO 104 Ca 0.44 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.40 1yku s PRO 104 Cb -0.14 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1yku s PRO 104 CO 0.84 -1.64 1.11 0.16 0.04 0.00 0.00 177.00 177.52 1yku s ASP 105 N -3.50 2.87 0.17 6.66 3.84 -1.26 -4.73 116.67 120.72 1yku s ASP 105 Ca 0.61 1.07 -0.14 0.00 -0.00 0.00 0.00 52.55 54.09 1yku s ASP 105 Cb -0.17 -1.69 0.07 0.00 -1.38 0.00 0.00 42.92 39.75 1yku s ASP 105 CO 0.56 -2.96 1.84 0.25 -0.00 0.00 0.00 175.17 174.86 1yku h LEU 106 N -1.78 0.61 -0.12 2.11 5.85 -1.98 -0.14 115.31 119.86 1yku h LEU 106 Ca -0.53 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.20 1yku h LEU 106 Cb 1.33 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1yku h LEU 106 CO 0.59 0.44 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.48 1yku h GLN 107 N 0.72 -0.03 -0.50 1.25 4.15 -1.99 0.66 115.11 119.38 1yku h GLN 107 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 1yku h GLN 107 Cb -0.08 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1yku h GLN 107 CO -0.04 -0.02 0.20 0.37 -1.93 0.00 0.00 178.83 177.41 1yku h GLN 108 N -0.03 0.74 -0.43 1.69 5.75 -1.85 -1.73 115.11 119.25 1yku h GLN 108 Ca 0.06 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1yku h GLN 108 Cb 0.13 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1yku h GLN 108 CO -0.14 0.66 0.28 -0.92 -2.65 0.00 0.00 178.83 176.06 1yku h TYR 109 N 0.66 0.53 -0.59 3.99 3.20 -0.66 -1.44 116.97 122.67 1yku h TYR 109 Ca 0.17 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 1yku h TYR 109 Cb 0.19 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1yku h TYR 109 CO 0.00 0.33 0.13 1.96 -1.64 0.00 0.00 178.16 178.95 1yku h GLN 110 N 0.58 0.96 -0.59 1.82 4.20 -0.57 -0.17 115.11 121.32 1yku h GLN 110 Ca 0.16 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1yku h GLN 110 Cb -0.06 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1yku h GLN 110 CO -0.04 0.89 0.25 0.00 -0.67 0.00 0.00 178.83 179.26 1yku h ALA 111 N 1.03 0.77 -0.12 3.87 0.00 -1.01 -2.30 119.26 121.50 1yku h ALA 111 Ca 0.18 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1yku h ALA 111 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yku h ALA 111 CO 0.00 0.37 -0.71 -0.07 0.00 0.00 0.00 179.25 178.84 1yku h LEU 112 N 0.82 0.64 -0.88 0.00 3.38 -1.00 -2.76 115.31 115.51 1yku h LEU 112 Ca 0.20 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1yku h LEU 112 Cb 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1yku h LEU 112 CO -0.02 1.16 0.52 0.58 0.09 0.00 0.00 178.44 180.77 1yku h VAL 113 N 0.38 1.25 -0.45 1.22 2.07 -0.89 0.78 116.25 120.61 1yku h VAL 113 Ca -0.03 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1yku h VAL 113 Cb 1.29 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1yku h VAL 113 CO 0.13 0.27 0.29 0.50 0.02 0.00 0.00 177.57 178.78 1yku h LYS 114 N 1.22 0.60 -0.46 1.57 3.64 -1.33 -0.01 116.57 121.80 1yku h LYS 114 Ca 0.32 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.57 1yku h LYS 114 Cb -0.03 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1yku h LYS 114 CO -0.06 0.40 -0.05 0.87 -2.27 0.00 0.00 179.45 178.35 1yku h LYS 115 N 0.61 0.85 -0.23 1.90 1.57 -1.11 -0.02 116.57 120.13 1yku h LYS 115 Ca 0.16 -0.29 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1yku h LYS 115 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1yku h LYS 115 CO -0.03 0.92 0.07 0.82 -0.57 0.00 0.00 179.45 180.66 1yku h ILE 116 N 0.69 0.94 -0.47 1.86 2.04 -0.66 -1.19 117.51 120.71 1yku h ILE 116 Ca 0.12 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 1yku h ILE 116 Cb 0.57 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1yku h ILE 116 CO 0.03 0.03 0.18 0.78 0.00 0.00 0.00 178.15 179.17 1yku h ASN 117 N 0.18 0.66 -0.60 1.72 2.35 -0.86 -1.73 115.58 117.30 1yku h ASN 117 Ca 0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1yku h ASN 117 Cb 0.07 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 1yku h ASN 117 CO -0.11 0.67 0.39 1.56 -1.65 0.00 0.00 177.43 178.28 1yku h GLN 118 N 0.62 0.80 0.27 0.81 4.20 -0.71 0.78 115.11 121.89 1yku h GLN 118 Ca 0.16 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1yku h GLN 118 Cb 0.22 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1yku h GLN 118 CO -0.01 0.54 -0.13 0.35 -0.67 0.00 0.00 178.83 178.91 1yku h PHE 119 N 0.81 -0.34 -0.29 2.96 3.57 -1.04 -2.13 116.94 120.48 1yku h PHE 119 Ca 0.22 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 1yku h PHE 119 Cb -0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1yku h PHE 119 CO -0.03 -0.07 -0.42 0.74 -2.23 0.00 0.00 178.31 176.30 1yku h PHE 120 N -0.58 0.87 -0.54 0.41 0.04 -1.27 -1.25 116.94 114.63 1yku h PHE 120 Ca -0.04 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.50 1yku h PHE 120 Cb 0.42 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 1yku h PHE 120 CO -0.00 1.02 0.31 -0.44 -0.60 0.00 0.00 178.31 178.60 1yku h ASP 121 N 0.59 0.48 -0.36 2.17 3.32 -0.86 -1.44 116.42 120.32 1yku h ASP 121 Ca 0.04 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1yku h ASP 121 Cb 0.97 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1yku h ASP 121 CO 0.09 0.33 -0.00 -0.74 -1.72 0.00 0.00 179.24 177.20 1yku h HIS 122 N 0.60 0.69 -0.42 4.55 2.76 -1.15 -0.50 115.15 121.68 1yku h HIS 122 Ca 0.23 -0.12 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1yku h HIS 122 Cb 0.07 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 28.81 1yku h HIS 122 CO -0.08 0.74 0.18 1.25 -1.30 0.00 0.00 177.93 178.73 1yku h LEU 123 N 0.44 0.24 -0.08 0.26 5.85 -1.04 0.40 115.31 121.38 1yku h LEU 123 Ca 0.10 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1yku h LEU 123 Cb 0.46 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1yku h LEU 123 CO 0.02 0.18 -0.09 0.40 -0.34 0.00 0.00 178.44 178.61 1yku h ILE 124 N 0.38 1.37 0.23 4.05 2.04 -1.17 -2.04 117.51 122.37 1yku h ILE 124 Ca 0.19 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 1yku h ILE 124 Cb 0.13 2.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1yku h ILE 124 CO -0.16 0.35 -0.17 0.22 0.00 0.00 0.00 178.15 178.39 1yku h TYR 125 N -0.23 -0.45 -0.41 1.37 3.20 -0.97 -1.77 116.97 117.71 1yku h TYR 125 Ca 0.01 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1yku h TYR 125 Cb 0.61 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1yku h TYR 125 CO 0.09 -0.27 -0.08 -0.92 -1.64 0.00 0.00 178.16 175.34 1yku h TYR 126 N -0.41 0.77 -0.24 -3.82 3.20 -0.96 -0.03 116.97 115.49 1yku h TYR 126 Ca -0.01 -0.13 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 1yku h TYR 126 Cb 0.36 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1yku h TYR 126 CO -0.11 0.77 -0.07 1.15 -1.64 0.00 0.00 178.16 178.26 1yku h THR 127 N 0.66 1.29 -0.43 1.81 2.02 -1.24 0.10 112.91 117.11 1yku h THR 127 Ca 0.12 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 1yku h THR 127 Cb 0.53 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1yku h THR 127 CO 0.03 0.34 -0.06 0.58 0.37 0.00 0.00 175.52 176.78 1yku h VAL 128 N 0.20 1.27 -0.38 3.16 2.07 -1.23 -0.24 116.25 121.10 1yku h VAL 128 Ca 0.06 -1.13 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1yku h VAL 128 Cb 0.53 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1yku h VAL 128 CO 0.03 0.39 0.07 -0.74 0.02 0.00 0.00 177.57 177.33 1yku h HIS 129 N 0.63 0.12 -0.64 1.57 6.17 -0.91 -1.98 115.15 120.11 1yku h HIS 129 Ca 0.12 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.14 1yku h HIS 129 Cb 0.57 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.48 1yku h HIS 129 CO 0.04 0.01 0.11 1.03 0.71 0.00 0.00 177.93 179.83 1yku h SER 130 N 0.20 1.01 -0.26 3.26 0.87 -0.78 -0.67 113.55 117.17 1yku h SER 130 Ca 0.18 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 1yku h SER 130 Cb 0.21 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1yku h SER 130 CO -0.24 1.01 -0.03 0.22 -0.53 0.00 0.00 176.83 177.26 1yku h TYR 131 N 0.96 -0.08 -0.10 2.24 3.20 -0.65 0.67 116.97 123.22 1yku h TYR 131 Ca 0.19 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 1yku h TYR 131 Cb 0.43 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1yku h TYR 131 CO 0.03 -0.08 -0.52 -0.92 -1.64 0.00 0.00 178.16 175.03 1yku h TYR 132 N 0.04 0.33 -0.38 -3.82 3.20 -1.09 -1.32 116.97 113.93 1yku h TYR 132 Ca 0.13 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1yku h TYR 132 Cb 0.18 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1yku h TYR 132 CO -0.23 0.74 0.01 0.93 -1.64 0.00 0.00 178.16 177.97 1yku h GLU 133 N 0.21 0.66 0.00 1.82 5.08 -0.79 -3.16 114.58 118.40 1yku h GLU 133 Ca 0.01 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.06 1yku h GLU 133 Cb 0.99 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1yku h GLU 133 CO 0.08 0.75 -0.51 1.96 -1.00 0.00 0.00 179.01 180.30 1yku h GLN 134 N 0.49 0.00 -6.71 2.33 4.20 -0.77 -3.46 115.11 111.19 1yku h GLN 134 Ca 0.11 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.32 1yku h GLN 134 Cb 0.44 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1yku h GLN 134 CO 0.02 0.51 0.22 0.21 -0.67 0.00 0.00 178.83 179.12 1yku s LYS 135 N -3.01 4.42 0.00 1.46 2.20 -0.51 -5.09 119.74 119.21 1yku s LYS 135 Ca 0.04 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1yku s LYS 135 Cb 0.08 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1yku s LYS 135 CO 0.74 0.35 0.00 0.00 -0.36 0.00 0.00 175.35 176.08