#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yy9 h HIS 8 N 0.00 -0.10 -0.04 1.61 2.76 -2.06 -2.02 115.15 115.31 2yy9 h HIS 8 Ca 0.00 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 2yy9 h HIS 8 Cb 0.00 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2yy9 h HIS 8 CO 0.00 -0.07 -0.28 0.66 -1.30 0.00 0.00 177.93 176.94 2yy9 h SER 9 N -0.01 0.06 -0.04 3.26 4.64 -2.05 -1.72 113.55 117.68 2yy9 h SER 9 Ca 0.07 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2yy9 h SER 9 Cb 0.12 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2yy9 h SER 9 CO -0.16 0.34 0.01 0.58 -0.87 0.00 0.00 176.83 176.73 2yy9 h VAL 10 N 0.06 1.21 -0.68 0.95 2.07 -1.91 -2.06 116.25 115.89 2yy9 h VAL 10 Ca 0.01 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2yy9 h VAL 10 Cb 0.52 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2yy9 h VAL 10 CO 0.04 0.17 0.44 0.03 0.02 0.00 0.00 177.57 178.27 2yy9 h ARG 11 N -0.18 0.85 -0.32 1.57 3.08 -1.10 -1.96 114.38 116.32 2yy9 h ARG 11 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2yy9 h ARG 11 Cb 0.27 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2yy9 h ARG 11 CO 0.00 0.56 0.17 0.28 -1.07 0.00 0.00 179.97 179.91 2yy9 h VAL 12 N 0.88 1.14 -0.43 2.04 2.07 -1.24 -1.16 116.25 119.55 2yy9 h VAL 12 Ca 0.26 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2yy9 h VAL 12 Cb -0.04 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2yy9 h VAL 12 CO -0.08 0.14 -0.07 0.25 0.02 0.00 0.00 177.57 177.83 2yy9 h LEU 13 N 0.39 0.72 -0.78 2.57 5.85 -1.19 0.39 115.31 123.26 2yy9 h LEU 13 Ca 0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2yy9 h LEU 13 Cb 0.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2yy9 h LEU 13 CO -0.02 0.83 0.00 0.06 -0.34 0.00 0.00 178.44 178.97 2yy9 h GLN 14 N 0.68 0.00 0.04 1.25 3.07 -1.14 0.14 115.11 119.16 2yy9 h GLN 14 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.64 2yy9 h GLN 14 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2yy9 h GLN 14 CO 0.03 0.00 -1.05 1.49 0.09 0.00 0.00 178.83 179.39 2yy9 h GLU 15 N 0.00 0.13 -0.30 0.06 4.57 -0.55 -0.76 114.58 117.73 2yy9 h GLU 15 Ca 0.00 -0.20 -0.17 0.00 -1.18 0.00 0.00 59.36 57.81 2yy9 h GLU 15 Cb 0.73 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2yy9 h GLU 15 CO 0.00 1.05 -0.47 -0.07 -1.18 0.00 0.00 179.01 178.34 2yy9 h LEU 16 N 0.05 0.93 -0.46 1.64 3.38 -0.34 0.55 115.31 121.06 2yy9 h LEU 16 Ca -0.06 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 2yy9 h LEU 16 Cb 1.76 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2yy9 h LEU 16 CO 0.15 1.27 0.25 -1.13 0.09 0.00 0.00 178.44 179.07 2yy9 h ASN 17 N 0.63 0.57 -0.77 -0.43 -0.00 -0.68 -0.70 115.58 114.19 2yy9 h ASN 17 Ca 0.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.30 56.21 2yy9 h ASN 17 Cb 1.08 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 39.21 2yy9 h ASN 17 CO 0.11 0.50 0.38 0.11 -0.00 0.00 0.00 177.43 178.53 2yy9 h LYS 18 N 0.60 1.12 0.03 6.67 1.57 -1.00 -2.62 116.57 122.94 2yy9 h LYS 18 Ca 0.16 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2yy9 h LYS 18 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2yy9 h LYS 18 CO -0.03 0.85 -0.08 1.96 -0.57 0.00 0.00 179.45 181.59 2yy9 h GLN 19 N 1.11 -0.15 0.00 3.15 4.20 0.02 -2.93 115.11 120.51 2yy9 h GLN 19 Ca 0.27 0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.93 2yy9 h GLN 19 Cb 0.10 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2yy9 h GLN 19 CO -0.04 -0.10 -0.28 0.07 -0.67 0.00 0.00 178.83 177.81 2yy9 h ARG 20 N -0.16 0.00 0.00 1.46 -0.00 -1.00 0.16 114.38 114.85 2yy9 h ARG 20 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.97 2yy9 h ARG 20 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.14 2yy9 h ARG 20 CO -0.06 0.28 -0.15 0.93 -0.00 0.00 0.00 179.97 180.97 2yy9 h GLU 21 N 0.00 0.00 -0.19 0.08 4.39 -1.29 -1.54 114.58 116.02 2yy9 h GLU 21 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2yy9 h GLU 21 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2yy9 h GLU 21 CO 0.04 0.15 0.00 1.63 -1.16 0.00 0.00 179.01 179.66 2yy9 n LYS 22 N -4.33 2.27 -1.09 2.33 5.02 -0.68 -4.97 118.16 116.72 2yy9 n LYS 22 Ca -0.03 -2.03 -0.03 0.00 -2.02 0.00 0.00 58.31 54.21 2yy9 n LYS 22 Cb 0.22 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 2yy9 n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yy9 n GLY 23 N 1.33 0.52 3.73 0.72 0.00 -0.30 -4.98 105.19 106.22 2yy9 n GLY 23 Ca 0.16 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2yy9 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yy9 s GLN 24 N -1.52 4.57 -1.90 1.61 -0.21 -0.11 -3.44 119.66 118.65 2yy9 s GLN 24 Ca 0.00 1.71 0.00 0.00 0.02 0.00 0.00 55.36 57.09 2yy9 s GLN 24 Cb 0.00 -3.30 0.00 0.00 1.00 0.00 0.00 33.01 30.71 2yy9 s GLN 24 CO 0.00 0.02 0.00 0.66 -2.12 0.00 0.00 175.29 173.85 2yy9 n TYR 25 N 2.70 -0.16 -3.03 0.91 4.01 -1.26 -4.39 117.16 115.93 2yy9 n TYR 25 Ca 0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.34 2yy9 n TYR 25 Cb 0.46 -3.15 -0.04 0.00 -0.31 0.00 0.00 39.34 36.31 2yy9 n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2yy9 n ASP 27 N 6.66 0.00 -4.11 0.00 5.68 -1.22 -4.70 116.55 118.85 2yy9 n ASP 27 Ca -0.05 -0.39 -0.27 0.00 -0.50 0.00 0.00 54.79 53.58 2yy9 n ASP 27 Cb 0.44 -0.12 -0.17 0.00 -1.14 0.00 0.00 41.12 40.14 2yy9 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2yy9 s ALA 28 N -2.23 1.59 -0.12 2.12 0.00 -0.78 -4.87 121.76 117.47 2yy9 s ALA 28 Ca 0.26 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2yy9 s ALA 28 Cb 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2yy9 s ALA 28 CO 0.27 0.21 -0.15 -0.08 0.00 0.00 0.00 175.76 176.01 2yy9 s THR 29 N 0.41 1.51 -0.14 0.00 -1.32 -1.26 -0.71 115.64 114.13 2yy9 s THR 29 Ca -0.13 -0.64 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2yy9 s THR 29 Cb -0.15 -1.39 -0.02 0.00 -1.51 0.00 0.00 72.50 69.42 2yy9 s THR 29 CO 0.05 0.44 -0.07 -0.76 -2.21 0.00 0.00 174.62 172.08 2yy9 s LEU 30 N 1.09 3.09 -0.28 9.08 1.43 0.24 -1.81 118.68 131.52 2yy9 s LEU 30 Ca -0.04 -0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.85 2yy9 s LEU 30 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2yy9 s LEU 30 CO -0.03 0.19 0.01 -0.62 0.23 0.00 0.00 176.35 176.13 2yy9 s ASP 31 N 0.21 4.77 -0.07 2.29 -1.08 0.78 0.12 116.67 123.69 2yy9 s ASP 31 Ca -0.04 -0.95 0.03 0.00 -0.52 0.00 0.00 52.55 51.07 2yy9 s ASP 31 Cb -0.14 -1.75 0.01 0.00 -1.46 0.00 0.00 42.92 39.57 2yy9 s ASP 31 CO 0.04 -0.20 -0.15 0.68 0.52 0.00 0.00 175.17 176.06 2yy9 s VAL 32 N 1.36 1.36 0.00 1.11 -7.23 0.33 -0.23 120.40 117.10 2yy9 s VAL 32 Ca -0.01 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2yy9 s VAL 32 Cb -0.18 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 35.55 2yy9 s VAL 32 CO -0.01 0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 2yy9 n GLY 33 N 3.64 4.29 0.12 2.32 0.00 -1.26 -0.13 105.19 114.18 2yy9 n GLY 33 Ca -0.21 0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2yy9 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yy9 n GLY 34 N 0.00 -0.05 3.71 -0.02 0.00 -1.26 -4.92 105.19 102.64 2yy9 n GLY 34 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2yy9 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yy9 s LEU 35 N -1.69 4.35 -0.14 0.99 1.43 0.81 -5.04 118.68 119.39 2yy9 s LEU 35 Ca 0.05 1.84 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 2yy9 s LEU 35 Cb 0.06 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2yy9 s LEU 35 CO 0.22 -0.40 0.05 0.54 0.23 0.00 0.00 176.35 176.98 2yy9 s VAL 36 N 1.22 4.68 -0.03 -1.59 0.11 -1.26 -0.51 120.40 123.02 2yy9 s VAL 36 Ca 0.55 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.56 2yy9 s VAL 36 Cb -0.25 -3.05 -0.01 0.00 -1.53 0.00 0.00 36.38 31.54 2yy9 s VAL 36 CO 0.27 0.54 -0.17 -0.36 -3.33 0.00 0.00 175.10 172.05 2yy9 s PHE 37 N -0.30 1.64 -0.03 1.54 0.08 0.32 -4.95 117.98 116.29 2yy9 s PHE 37 Ca 0.08 -0.42 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 2yy9 s PHE 37 Cb -0.12 -1.10 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2yy9 s PHE 37 CO 0.02 -0.12 0.19 0.15 -0.10 0.00 0.00 175.22 175.35 2yy9 s LYS 38 N -0.09 3.46 0.27 0.44 -0.14 -1.26 0.80 119.74 123.22 2yy9 s LYS 38 Ca -0.01 -0.24 -0.20 0.00 -1.36 0.00 0.00 55.97 54.16 2yy9 s LYS 38 Cb -0.10 -3.11 0.05 0.00 -1.68 0.00 0.00 37.83 32.99 2yy9 s LYS 38 CO 0.01 0.69 0.85 0.00 -0.76 0.00 0.00 175.35 176.14 2yy9 s ALA 39 N -1.26 -1.22 -0.18 5.17 0.00 0.11 -4.79 121.76 119.58 2yy9 s ALA 39 Ca 0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 2yy9 s ALA 39 Cb -0.13 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2yy9 s ALA 39 CO 0.15 -1.03 0.04 -1.01 0.00 0.00 0.00 175.76 173.92 2yy9 s HIS 40 N -2.99 3.18 0.28 0.00 0.09 -1.26 -1.87 115.29 112.72 2yy9 s HIS 40 Ca 0.14 -0.06 -0.02 0.00 -0.00 0.00 0.00 55.06 55.13 2yy9 s HIS 40 Cb -0.04 -2.07 0.43 0.00 -0.00 0.00 0.00 32.58 30.90 2yy9 s HIS 40 CO 0.07 0.06 1.90 -1.49 -0.00 0.00 0.00 174.74 175.27 2yy9 h TRP 41 N 6.87 1.16 -0.97 1.40 4.06 -1.92 -1.54 115.95 125.02 2yy9 h TRP 41 Ca -0.36 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.67 2yy9 h TRP 41 Cb 1.17 -0.38 -0.06 0.00 -1.00 0.00 0.00 29.16 28.89 2yy9 h TRP 41 CO 0.57 0.62 0.63 0.66 -3.56 0.00 0.00 178.44 177.36 2yy9 h SER 42 N 1.15 1.04 -0.13 -3.49 4.64 -1.99 0.96 113.55 115.74 2yy9 h SER 42 Ca 0.41 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.53 2yy9 h SER 42 Cb 0.14 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2yy9 h SER 42 CO -0.15 0.70 -0.69 0.58 -0.87 0.00 0.00 176.83 176.39 2yy9 h VAL 43 N 1.20 1.31 -0.49 0.95 2.07 -1.83 -2.97 116.25 116.49 2yy9 h VAL 43 Ca 0.39 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2yy9 h VAL 43 Cb 0.05 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2yy9 h VAL 43 CO -0.13 0.60 0.23 -0.07 0.02 0.00 0.00 177.57 178.22 2yy9 h LEU 44 N 0.38 0.62 -1.09 2.57 3.38 -0.82 -1.81 115.31 118.54 2yy9 h LEU 44 Ca -0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2yy9 h LEU 44 Cb 1.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2yy9 h LEU 44 CO 0.14 0.54 -0.25 0.00 0.09 0.00 0.00 178.44 178.97 2yy9 h ALA 45 N 1.56 1.02 0.00 1.53 0.00 -0.77 -1.51 119.26 121.09 2yy9 h ALA 45 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2yy9 h ALA 45 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2yy9 h ALA 45 CO -0.02 0.31 -0.38 0.00 0.00 0.00 0.00 179.25 179.16 2yy9 s SER 48 N -0.94 1.86 0.29 0.00 0.15 -0.57 -4.26 113.70 110.22 2yy9 s SER 48 Ca 0.00 -0.28 0.14 0.00 0.70 0.00 0.00 55.95 56.52 2yy9 s SER 48 Cb 0.01 -0.78 0.33 0.00 -1.71 0.00 0.00 66.02 63.87 2yy9 s SER 48 CO 0.03 -0.05 1.57 0.45 1.20 0.00 0.00 173.24 176.44 2yy9 h HIS 49 N 7.58 0.00 -0.45 3.44 3.86 -1.21 -2.50 115.15 125.87 2yy9 h HIS 49 Ca -0.31 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.83 2yy9 h HIS 49 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 2yy9 h HIS 49 CO 0.48 0.56 0.00 0.35 0.86 0.00 0.00 177.93 180.19 2yy9 h PHE 50 N 0.00 0.85 0.00 2.45 3.04 -1.72 -1.96 116.94 119.60 2yy9 h PHE 50 Ca -0.01 -0.15 -0.11 0.00 3.98 0.00 0.00 57.97 61.69 2yy9 h PHE 50 Cb 1.19 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 2yy9 h PHE 50 CO 0.00 0.83 -0.52 0.74 -2.02 0.00 0.00 178.31 177.34 2yy9 h PHE 51 N 0.63 0.00 -0.42 0.41 -1.00 -1.78 -2.50 116.94 112.27 2yy9 h PHE 51 Ca 0.13 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 2yy9 h PHE 51 Cb 0.49 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 2yy9 h PHE 51 CO 0.04 0.52 0.11 1.96 -1.61 0.00 0.00 178.31 179.33 2yy9 h GLN 52 N 0.00 0.67 -0.40 1.51 4.20 -1.20 -3.21 115.11 116.69 2yy9 h GLN 52 Ca -0.01 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 2yy9 h GLN 52 Cb 1.09 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2yy9 h GLN 52 CO 0.07 0.68 -0.29 0.00 -0.67 0.00 0.00 178.83 178.62 2yy9 h ARG 53 N 0.55 0.86 -0.74 1.46 3.08 -1.17 -3.19 114.38 115.22 2yy9 h ARG 53 Ca 0.13 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2yy9 h ARG 53 Cb 0.30 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2yy9 h ARG 53 CO 0.00 1.03 0.00 0.44 -1.07 0.00 0.00 179.97 180.37 2yy9 n ILE 54 N -4.08 1.45 -3.45 2.04 -5.35 -0.96 -4.84 119.36 104.16 2yy9 n ILE 54 Ca -0.01 -0.75 -0.38 0.00 -0.27 0.00 0.00 62.75 61.34 2yy9 n ILE 54 Cb 0.48 -0.33 -0.09 0.00 -1.74 0.00 0.00 39.64 37.96 2yy9 n ILE 54 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2yy9 s TYR 55 N -1.93 3.30 0.00 4.28 6.14 -1.21 -5.06 117.35 122.87 2yy9 s TYR 55 Ca 0.30 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.44 2yy9 s TYR 55 Cb 0.22 -2.49 0.00 0.00 0.42 0.00 0.00 41.96 40.12 2yy9 s TYR 55 CO 0.09 -0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.60 2yy9 n GLY 56 N 4.37 0.13 2.87 8.97 0.00 -1.26 -5.07 105.19 115.20 2yy9 n GLY 56 Ca -0.10 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2yy9 n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yy9 s GLY 61 N -0.89 0.01 0.02 -0.02 0.00 -1.26 -5.30 107.32 99.88 2yy9 s GLY 61 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2yy9 s GLY 61 CO 0.00 0.40 0.00 1.44 0.00 0.00 0.00 173.10 174.94 2yy9 n SER 62 N 3.55 -3.27 -4.26 1.64 7.64 -1.26 -5.06 113.62 112.61 2yy9 n SER 62 Ca -0.19 0.29 -0.32 0.00 1.01 0.00 0.00 58.87 59.66 2yy9 n SER 62 Cb 0.56 -1.72 -0.16 0.00 -1.01 0.00 0.00 64.21 61.88 2yy9 n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2yy9 s VAL 63 N -0.10 2.23 -0.17 0.44 1.01 -0.75 -5.04 120.40 118.03 2yy9 s VAL 63 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 2yy9 s VAL 63 Cb 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2yy9 s VAL 63 CO 0.00 0.56 0.02 -0.69 0.00 0.00 0.00 175.10 174.98 2yy9 s VAL 64 N 0.21 4.35 0.30 2.92 1.01 -1.26 -0.16 120.40 127.78 2yy9 s VAL 64 Ca -0.14 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 61.73 2yy9 s VAL 64 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2yy9 s VAL 64 CO 0.07 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 2yy9 s LEU 65 N 0.40 3.40 0.19 3.92 2.01 0.68 -4.94 118.68 124.34 2yy9 s LEU 65 Ca -0.00 -0.60 -0.33 0.00 0.01 0.00 0.00 54.13 53.21 2yy9 s LEU 65 Cb -0.13 -1.92 -0.13 0.00 0.01 0.00 0.00 46.19 44.02 2yy9 s LEU 65 CO 0.02 -0.18 1.62 -0.81 1.01 0.00 0.00 176.35 178.00 2yy9 n PRO 66 N -1.12 2.37 0.31 1.29 -0.04 -1.26 -4.17 135.00 132.38 2yy9 n PRO 66 Ca -0.05 0.86 0.19 0.00 -0.04 0.00 0.00 63.50 64.46 2yy9 n PRO 66 Cb 0.60 -2.64 1.04 0.00 -0.04 0.00 0.00 33.50 32.45 2yy9 n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yy9 h ALA 67 N 6.03 1.30 0.00 0.55 0.00 -1.92 -1.21 119.26 124.02 2yy9 h ALA 67 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2yy9 h ALA 67 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2yy9 h ALA 67 CO 0.90 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.47 2yy9 n GLY 68 N -1.21 -0.63 0.00 0.00 0.00 -1.26 -2.25 105.19 99.84 2yy9 n GLY 68 Ca -0.02 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.97 2yy9 n GLY 68 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yy9 n PHE 69 N -1.04 0.00 -0.27 1.61 0.99 -0.46 -4.64 117.46 113.66 2yy9 n PHE 69 Ca 0.14 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.59 2yy9 n PHE 69 Cb 0.08 -0.16 0.08 0.00 -1.00 0.00 0.00 39.48 38.48 2yy9 n PHE 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2yy9 h ALA 70 N 2.31 0.41 -0.98 4.37 0.00 -1.60 0.18 119.26 123.94 2yy9 h ALA 70 Ca 0.00 0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.36 2yy9 h ALA 70 Cb 0.59 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 2yy9 h ALA 70 CO 0.00 -0.46 0.61 1.49 0.00 0.00 0.00 179.25 180.89 2yy9 h GLU 71 N -0.03 0.75 -0.10 0.00 4.81 -1.82 -3.09 114.58 115.10 2yy9 h GLU 71 Ca 0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2yy9 h GLU 71 Cb 0.57 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2yy9 h GLU 71 CO -0.79 0.49 0.00 0.44 -0.73 0.00 0.00 179.01 178.42 2yy9 n ILE 72 N -4.68 0.83 -0.14 2.32 -6.64 -0.47 -4.73 119.36 105.85 2yy9 n ILE 72 Ca 0.21 -0.91 -0.01 0.00 -1.77 0.00 0.00 62.75 60.27 2yy9 n ILE 72 Cb 0.53 0.60 0.23 0.00 -1.44 0.00 0.00 39.64 39.56 2yy9 n ILE 72 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 2yy9 h PHE 73 N 0.71 0.83 -0.64 4.28 3.57 -0.62 -2.30 116.94 122.78 2yy9 h PHE 73 Ca 0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2yy9 h PHE 73 Cb 0.51 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 2yy9 h PHE 73 CO 0.07 0.64 0.33 0.78 -2.23 0.00 0.00 178.31 177.90 2yy9 h GLY 74 N 0.94 0.94 0.93 2.40 0.00 -1.85 -0.91 103.07 105.52 2yy9 h GLY 74 Ca 0.20 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2yy9 h GLY 74 CO -0.02 0.40 -0.11 1.41 0.00 0.00 0.00 176.54 178.23 2yy9 h LEU 75 N 0.89 -0.25 -0.70 3.11 3.38 -1.76 0.20 115.31 120.17 2yy9 h LEU 75 Ca 0.22 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2yy9 h LEU 75 Cb 0.04 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2yy9 h LEU 75 CO -0.03 -0.11 0.35 0.25 0.09 0.00 0.00 178.44 178.98 2yy9 h LEU 76 N -0.37 0.46 -0.26 1.67 7.12 -1.21 -0.49 115.31 122.24 2yy9 h LEU 76 Ca -0.03 0.06 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 2yy9 h LEU 76 Cb 0.29 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2yy9 h LEU 76 CO 0.05 0.27 -0.48 0.25 -0.13 0.00 0.00 178.44 178.40 2yy9 h LEU 77 N 0.61 0.86 -0.60 2.25 5.85 -0.88 -2.92 115.31 120.48 2yy9 h LEU 77 Ca 0.34 -0.54 0.07 0.00 0.84 0.00 0.00 57.88 58.60 2yy9 h LEU 77 Cb 0.34 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2yy9 h LEU 77 CO -0.26 1.24 0.27 0.44 -0.34 0.00 0.00 178.44 179.79 2yy9 h ASP 78 N 0.52 0.35 -0.99 1.25 3.32 0.05 -0.18 116.42 120.74 2yy9 h ASP 78 Ca 0.01 0.05 0.18 0.00 0.02 0.00 0.00 57.03 57.30 2yy9 h ASP 78 Cb 1.08 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 2yy9 h ASP 78 CO 0.11 0.22 0.59 0.15 -1.72 0.00 0.00 179.24 178.59 2yy9 h PHE 79 N 0.50 1.04 -0.05 4.55 3.57 -0.96 0.34 116.94 125.93 2yy9 h PHE 79 Ca 0.28 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 2yy9 h PHE 79 Cb 0.27 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2yy9 h PHE 79 CO -0.12 0.23 0.03 0.74 -2.23 0.00 0.00 178.31 176.96 2yy9 h PHE 80 N 0.75 0.06 -0.00 0.41 -1.00 -0.85 0.35 116.94 116.66 2yy9 h PHE 80 Ca 0.57 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.35 2yy9 h PHE 80 Cb 0.87 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.41 2yy9 h PHE 80 CO -0.02 0.07 -0.23 0.66 -1.61 0.00 0.00 178.31 177.18 2yy9 n TYR 81 N -5.04 0.00 0.00 -0.55 4.02 -0.51 -4.39 117.16 110.69 2yy9 n TYR 81 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 2yy9 n TYR 81 Cb 0.04 -0.36 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 2yy9 n TYR 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2yy9 n THR 82 N -1.45 0.00 -0.74 -0.72 -2.24 0.11 -4.67 114.28 104.56 2yy9 n THR 82 Ca 0.07 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2yy9 n THR 82 Cb 0.33 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 2yy9 n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yy9 n GLY 83 N 0.83 0.81 3.20 3.38 0.00 0.12 -5.00 105.19 108.53 2yy9 n GLY 83 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2yy9 n GLY 83 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yy9 s HIS 84 N -3.09 2.96 -0.42 1.61 5.65 -1.26 -4.98 115.29 115.75 2yy9 s HIS 84 Ca 0.00 -1.46 -0.19 0.00 0.25 0.00 0.00 55.06 53.66 2yy9 s HIS 84 Cb 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 32.58 29.40 2yy9 s HIS 84 CO 0.00 -0.71 0.52 -1.17 -0.65 0.00 0.00 174.74 172.72 2yy9 s LEU 85 N 1.34 4.69 -0.53 8.88 0.20 -1.26 -3.46 118.68 128.54 2yy9 s LEU 85 Ca 0.03 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.20 2yy9 s LEU 85 Cb -0.15 -2.53 -0.14 0.00 -0.43 0.00 0.00 46.19 42.95 2yy9 s LEU 85 CO -0.07 -0.65 1.75 0.00 -0.29 0.00 0.00 176.35 177.09 2yy9 n ALA 86 N 5.86 2.85 -1.61 5.97 0.00 -1.26 -4.92 120.51 127.39 2yy9 n ALA 86 Ca -0.05 -2.19 -0.33 0.00 0.00 0.00 0.00 53.44 50.87 2yy9 n ALA 86 Cb 0.48 -3.25 0.03 0.00 0.00 0.00 0.00 19.45 16.70 2yy9 n ALA 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yy9 s LEU 87 N 0.42 3.50 0.08 0.00 1.02 -1.26 -5.01 118.68 117.43 2yy9 s LEU 87 Ca 0.43 1.98 -0.21 0.00 0.02 0.00 0.00 54.13 56.36 2yy9 s LEU 87 Cb 0.11 -4.55 0.05 0.00 0.02 0.00 0.00 46.19 41.81 2yy9 s LEU 87 CO 0.09 -1.41 0.51 0.42 0.02 0.00 0.00 176.35 175.98 2yy9 s THR 88 N -2.25 0.03 0.50 5.49 -4.23 -1.26 -5.02 115.64 108.91 2yy9 s THR 88 Ca 0.67 -0.28 0.18 0.00 -1.18 0.00 0.00 61.69 61.08 2yy9 s THR 88 Cb -0.20 -1.02 0.25 0.00 1.34 0.00 0.00 72.50 72.88 2yy9 s THR 88 CO 0.37 -0.15 2.10 0.77 -0.54 0.00 0.00 174.62 177.16 2yy9 h SER 89 N 2.59 0.00 1.21 3.99 4.64 -2.00 -0.52 113.55 123.46 2yy9 h SER 89 Ca -0.32 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.89 2yy9 h SER 89 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 2yy9 h SER 89 CO 0.42 0.07 -0.53 1.23 -0.87 0.00 0.00 176.83 177.15 2yy9 h GLY 90 N 0.25 0.00 -0.44 -0.77 0.00 -2.01 -3.34 103.07 96.77 2yy9 h GLY 90 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2yy9 h GLY 90 CO 0.01 0.00 -0.28 1.16 0.00 0.00 0.00 176.54 177.43 2yy9 n ASN 91 N -3.34 1.18 -0.19 0.19 2.04 -0.89 -4.74 115.26 109.51 2yy9 n ASN 91 Ca 0.01 -1.09 -0.02 0.00 -0.44 0.00 0.00 54.58 53.04 2yy9 n ASN 91 Cb 0.69 0.55 0.05 0.00 -2.53 0.00 0.00 39.78 38.55 2yy9 n ASN 91 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 2yy9 h ARG 92 N 1.07 0.00 -0.14 -3.83 1.12 -1.23 -0.69 114.38 110.68 2yy9 h ARG 92 Ca 0.00 -0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.79 2yy9 h ARG 92 Cb 0.37 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 2yy9 h ARG 92 CO 0.00 0.00 -0.28 -0.44 -3.11 0.00 0.00 179.97 176.14 2yy9 h ASP 93 N 0.00 0.27 0.02 -3.80 3.32 -1.85 -1.37 116.42 113.00 2yy9 h ASP 93 Ca 0.27 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2yy9 h ASP 93 Cb 0.42 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2yy9 h ASP 93 CO -0.59 0.55 -0.01 1.56 -1.72 0.00 0.00 179.24 179.03 2yy9 h GLN 94 N 0.24 -0.02 -0.83 3.56 4.20 -1.60 -1.89 115.11 118.76 2yy9 h GLN 94 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2yy9 h GLN 94 Cb 0.63 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2yy9 h GLN 94 CO 0.05 0.38 0.53 0.28 -0.67 0.00 0.00 178.83 179.39 2yy9 h VAL 95 N -0.42 1.22 -0.16 -0.54 2.07 -1.09 -1.57 116.25 115.77 2yy9 h VAL 95 Ca -0.00 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 2yy9 h VAL 95 Cb 0.41 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2yy9 h VAL 95 CO 0.00 0.22 0.10 0.25 0.02 0.00 0.00 177.57 178.16 2yy9 h LEU 96 N 1.14 0.19 -0.82 2.57 6.46 -1.22 0.14 115.31 123.76 2yy9 h LEU 96 Ca 0.30 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 2yy9 h LEU 96 Cb -0.10 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 2yy9 h LEU 96 CO -0.06 0.17 0.52 0.25 -0.62 0.00 0.00 178.44 178.70 2yy9 h LEU 97 N 0.19 0.96 -0.64 2.25 5.85 -1.00 -0.79 115.31 122.13 2yy9 h LEU 97 Ca 0.06 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 2yy9 h LEU 97 Cb 0.01 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2yy9 h LEU 97 CO -0.01 0.71 -0.32 0.00 -0.34 0.00 0.00 178.44 178.48 2yy9 h ALA 98 N 1.29 0.82 -0.59 1.25 0.00 -0.95 -2.26 119.26 118.82 2yy9 h ALA 98 Ca 0.30 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 2yy9 h ALA 98 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2yy9 h ALA 98 CO -0.06 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.86 2yy9 h ALA 99 N 1.04 0.79 -0.01 0.00 0.00 -0.25 -0.99 119.26 119.83 2yy9 h ALA 99 Ca 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yy9 h ALA 99 Cb 0.84 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2yy9 h ALA 99 CO 0.07 0.59 0.00 0.87 0.00 0.00 0.00 179.25 180.79 2yy9 h LYS 100 N 0.91 0.02 -0.99 0.00 1.57 -1.05 0.99 116.57 118.02 2yy9 h LYS 100 Ca 0.17 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2yy9 h LYS 100 Cb 0.51 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2yy9 h LYS 100 CO 0.02 0.26 0.65 1.49 -0.57 0.00 0.00 179.45 181.30 2yy9 h GLU 101 N -0.22 1.26 -0.21 3.15 4.57 -1.34 -1.39 114.58 120.42 2yy9 h GLU 101 Ca 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2yy9 h GLU 101 Cb 0.24 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 2yy9 h GLU 101 CO 0.00 0.84 0.00 1.28 -1.18 0.00 0.00 179.01 179.95 2yy9 n LEU 102 N -4.42 1.27 -3.71 1.64 4.32 -0.38 -4.85 117.00 110.86 2yy9 n LEU 102 Ca 0.12 -0.60 -0.26 0.00 -0.02 0.00 0.00 56.01 55.25 2yy9 n LEU 102 Cb 0.05 -0.14 0.03 0.00 -1.62 0.00 0.00 43.42 41.74 2yy9 n LEU 102 CO 0.36 0.30 -0.10 0.54 -1.22 0.00 0.00 177.39 177.27 2yy9 n ARG 103 N 0.15 -2.87 -3.62 3.23 5.12 -0.52 -2.96 116.66 115.18 2yy9 n ARG 103 Ca 0.11 0.53 -0.37 0.00 -1.93 0.00 0.00 57.85 56.18 2yy9 n ARG 103 Cb 0.22 -4.66 -0.06 0.00 -1.16 0.00 0.00 32.46 26.80 2yy9 n ARG 103 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2yy9 s VAL 104 N -3.63 4.40 0.19 1.55 1.01 0.27 -1.13 120.40 123.07 2yy9 s VAL 104 Ca 0.23 -3.71 -0.24 0.00 0.00 0.00 0.00 61.98 58.25 2yy9 s VAL 104 Cb -0.07 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2yy9 s VAL 104 CO 0.84 -1.07 1.55 -0.65 0.00 0.00 0.00 175.10 175.77 2yy9 h PRO 105 N 6.20 -0.00 -0.74 2.72 0.11 -1.83 -0.54 132.00 137.92 2yy9 h PRO 105 Ca 0.14 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.29 2yy9 h PRO 105 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.90 2yy9 h PRO 105 CO 0.84 -0.00 0.49 0.93 -0.21 0.00 0.00 178.00 180.05 2yy9 h GLU 106 N -0.00 0.87 -0.32 1.05 5.08 -1.93 -1.91 114.58 117.42 2yy9 h GLU 106 Ca 0.25 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 2yy9 h GLU 106 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2yy9 h GLU 106 CO -0.96 0.58 -0.37 0.00 -1.00 0.00 0.00 179.01 177.25 2yy9 h ALA 107 N 1.57 0.73 -0.33 3.43 0.00 -1.49 -1.88 119.26 121.29 2yy9 h ALA 107 Ca 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2yy9 h ALA 107 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2yy9 h ALA 107 CO -0.09 0.66 0.02 -0.39 0.00 0.00 0.00 179.25 179.45 2yy9 h VAL 108 N 0.63 1.25 -0.57 0.00 -1.51 -0.89 -1.56 116.25 113.60 2yy9 h VAL 108 Ca 0.06 -0.92 0.07 0.00 -1.23 0.00 0.00 66.70 64.68 2yy9 h VAL 108 Cb 0.92 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 31.23 2yy9 h VAL 108 CO 0.08 0.30 0.25 -0.08 -1.23 0.00 0.00 177.57 176.90 2yy9 h GLU 109 N 0.38 0.45 -0.56 5.19 4.81 -1.24 0.49 114.58 124.10 2yy9 h GLU 109 Ca 0.09 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2yy9 h GLU 109 Cb 0.42 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2yy9 h GLU 109 CO 0.01 0.30 0.35 -0.07 -0.73 0.00 0.00 179.01 178.87 2yy9 h LEU 110 N 0.47 0.67 -0.40 1.64 3.38 -1.11 -0.47 115.31 119.49 2yy9 h LEU 110 Ca 0.27 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2yy9 h LEU 110 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2yy9 h LEU 110 CO -0.23 0.52 -0.04 0.00 0.09 0.00 0.00 178.44 178.77 2yy9 h GLN 112 N 0.55 0.48 0.00 0.00 4.20 -0.76 -2.84 115.11 116.74 2yy9 h GLN 112 Ca 0.11 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2yy9 h GLN 112 Cb 0.54 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2yy9 h GLN 112 CO 0.03 0.68 -0.58 0.43 -0.67 0.00 0.00 178.83 178.72 2yy9 n SER 113 N -4.14 0.72 -4.57 1.46 7.64 -0.20 -4.94 113.62 109.58 2yy9 n SER 113 Ca -0.00 0.16 -0.52 0.00 1.01 0.00 0.00 58.87 59.52 2yy9 n SER 113 Cb 0.39 0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 2yy9 n SER 113 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2yy9 n PHE 114 N -2.14 1.34 -3.85 1.43 -0.00 -0.06 -4.96 117.46 109.22 2yy9 n PHE 114 Ca 0.03 0.70 -0.30 0.00 -0.00 0.00 0.00 57.45 57.88 2yy9 n PHE 114 Cb 0.44 -2.29 -0.15 0.00 -0.00 0.00 0.00 39.48 37.48 2yy9 n PHE 114 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2yy9 s GLN 115 N 0.20 1.09 0.00 -4.13 0.74 -1.26 -5.05 119.66 111.25 2yy9 s GLN 115 Ca 0.82 -1.19 0.05 0.00 0.05 0.00 0.00 55.36 55.09 2yy9 s GLN 115 Cb -0.96 -2.42 0.29 0.00 1.10 0.00 0.00 33.01 31.03 2yy9 s GLN 115 CO 0.49 -0.86 0.77 -2.30 -0.55 0.00 0.00 175.29 172.84