#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx3 s ALA 2 N 0.00 -2.62 0.07 -5.12 0.00 -1.26 -4.79 121.76 108.04 1yx3 s ALA 2 Ca 0.00 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1yx3 s ALA 2 Cb 0.00 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1yx3 s ALA 2 CO 0.00 -1.11 0.15 0.34 0.00 0.00 0.00 175.76 175.14 1yx3 s ASP 3 N -3.35 5.96 -0.16 0.00 2.15 -0.60 -4.95 116.67 115.71 1yx3 s ASP 3 Ca 0.21 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1yx3 s ASP 3 Cb 0.05 -1.73 0.03 0.00 -0.30 0.00 0.00 42.92 40.98 1yx3 s ASP 3 CO -0.05 0.17 -0.11 0.42 -0.17 0.00 0.00 175.17 175.43 1yx3 s THR 4 N -1.46 1.45 -0.17 1.71 -4.23 -1.26 -0.02 115.64 111.67 1yx3 s THR 4 Ca 0.32 -0.71 -0.16 0.00 -1.18 0.00 0.00 61.69 59.96 1yx3 s THR 4 Cb -0.13 -1.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.20 1yx3 s THR 4 CO 0.25 0.30 0.39 0.27 -0.54 0.00 0.00 174.62 175.29 1yx3 s ILE 5 N 1.51 5.23 -0.68 2.99 -4.36 -0.40 -4.82 121.20 120.67 1yx3 s ILE 5 Ca 0.02 0.73 -0.23 0.00 -0.26 0.00 0.00 60.65 60.92 1yx3 s ILE 5 Cb -0.14 -3.73 0.07 0.00 1.25 0.00 0.00 42.46 39.91 1yx3 s ILE 5 CO -0.09 0.31 1.00 -0.70 0.24 0.00 0.00 174.94 175.70 1yx3 s GLU 6 N 0.88 3.15 -0.13 0.37 -6.30 -1.26 -0.65 118.70 114.75 1yx3 s GLU 6 Ca 0.20 -0.85 0.02 0.00 -2.50 0.00 0.00 54.97 51.84 1yx3 s GLU 6 Cb -0.14 -4.28 0.01 0.00 0.00 0.00 0.00 34.13 29.72 1yx3 s GLU 6 CO 0.07 -1.84 -0.19 0.08 0.02 0.00 0.00 175.26 173.40 1yx3 s VAL 7 N 4.10 1.81 0.00 3.70 1.01 -0.26 -4.68 120.40 126.09 1yx3 s VAL 7 Ca 0.24 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1yx3 s VAL 7 Cb -0.16 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1yx3 s VAL 7 CO 0.09 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 175.02 1yx3 n ASP 8 N 4.16 -3.50 0.00 3.32 2.03 -1.26 -0.80 116.55 120.49 1yx3 n ASP 8 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1yx3 n ASP 8 Cb 0.51 -1.90 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yx3 n GLY 9 N -1.16 0.39 3.61 0.27 0.00 -1.26 -5.06 105.19 101.97 1yx3 n GLY 9 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1yx3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx3 s LYS 10 N -0.95 3.62 -0.53 1.61 2.20 0.02 -5.06 119.74 120.65 1yx3 s LYS 10 Ca 0.00 -0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 54.92 1yx3 s LYS 10 Cb 0.00 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.34 1yx3 s LYS 10 CO 0.00 0.39 1.13 -0.65 -0.36 0.00 0.00 175.35 175.86 1yx3 s GLN 11 N 0.01 3.58 -0.43 4.03 -1.52 -1.26 -1.10 119.66 122.97 1yx3 s GLN 11 Ca 0.04 0.32 -0.21 0.00 -1.95 0.00 0.00 55.36 53.56 1yx3 s GLN 11 Cb -0.13 -3.97 0.02 0.00 -0.22 0.00 0.00 33.01 28.72 1yx3 s GLN 11 CO 0.02 -1.51 0.65 -0.06 -0.25 0.00 0.00 175.29 174.13 1yx3 s PHE 12 N 4.58 3.07 -0.12 0.91 0.08 0.17 -4.87 117.98 121.81 1yx3 s PHE 12 Ca 0.43 0.00 -0.29 0.00 0.12 0.00 0.00 56.93 57.19 1yx3 s PHE 12 Cb -0.08 -3.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.02 1yx3 s PHE 12 CO 0.28 -0.84 1.30 0.00 -0.10 0.00 0.00 175.22 175.86 1yx3 s ALA 13 N 2.82 3.62 0.05 5.36 0.00 -1.26 -1.27 121.76 131.08 1yx3 s ALA 13 Ca 0.23 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1yx3 s ALA 13 Cb -0.14 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1yx3 s ALA 13 CO 0.19 -1.11 -0.24 0.14 0.00 0.00 0.00 175.76 174.74 1yx3 s VAL 14 N 3.25 1.96 0.96 0.00 -7.23 0.97 -1.46 120.40 118.85 1yx3 s VAL 14 Ca 0.58 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 59.31 1yx3 s VAL 14 Cb -0.24 -1.69 0.16 0.00 0.56 0.00 0.00 36.38 35.18 1yx3 s VAL 14 CO 0.18 0.30 1.09 -1.81 -0.31 0.00 0.00 175.10 174.55 1yx3 s ASP 15 N -1.23 2.87 0.56 4.85 1.01 0.71 -1.56 116.67 123.87 1yx3 s ASP 15 Ca 0.10 1.57 0.23 0.00 0.71 0.00 0.00 52.55 55.17 1yx3 s ASP 15 Cb -0.10 -2.23 1.55 0.00 1.01 0.00 0.00 42.92 43.15 1yx3 s ASP 15 CO 0.02 -3.03 2.19 -0.08 0.21 0.00 0.00 175.17 174.47 1yx3 h GLU 16 N -1.82 0.00 0.00 8.23 4.22 -1.89 0.15 114.58 123.47 1yx3 h GLU 16 Ca -0.51 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1yx3 h GLU 16 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1yx3 h GLU 16 CO 0.52 0.00 0.00 0.39 -2.18 0.00 0.00 179.01 177.74 1yx3 n GLU 17 N -4.17 0.27 -1.72 1.92 1.02 -1.26 -4.87 120.64 111.83 1yx3 n GLU 17 Ca -0.02 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 1yx3 n GLU 17 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yx3 n GLY 18 N 0.63 0.96 3.20 0.62 0.00 0.52 -5.09 105.19 106.04 1yx3 n GLY 18 Ca 0.10 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 1yx3 n GLY 18 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx3 s TYR 19 N -2.65 1.64 -0.21 1.61 1.51 -1.24 -4.92 117.35 113.10 1yx3 s TYR 19 Ca 0.00 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.43 1yx3 s TYR 19 Cb 0.00 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1yx3 s TYR 19 CO 0.00 0.03 1.72 -1.17 -1.11 0.00 0.00 175.55 175.02 1yx3 s LEU 20 N -0.85 3.87 0.32 -1.29 2.96 -1.26 -0.21 118.68 122.21 1yx3 s LEU 20 Ca 0.06 1.71 0.18 0.00 -0.22 0.00 0.00 54.13 55.87 1yx3 s LEU 20 Cb -0.08 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.22 1yx3 s LEU 20 CO 0.01 -1.34 1.44 0.28 -1.32 0.00 0.00 176.35 175.41 1yx3 h SER 21 N 11.28 0.00 -3.44 3.68 0.02 -1.59 -3.41 113.55 120.09 1yx3 h SER 21 Ca -0.36 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 59.85 1yx3 h SER 21 Cb 1.17 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.42 1yx3 h SER 21 CO 0.99 0.30 -0.28 0.21 -1.14 0.00 0.00 176.83 176.92 1yx3 s ASN 22 N -6.26 5.91 -0.51 3.07 2.47 -1.23 -4.92 114.94 113.47 1yx3 s ASN 22 Ca 0.04 -2.13 0.00 0.00 0.42 0.00 0.00 52.86 51.20 1yx3 s ASN 22 Cb 0.07 -2.06 0.47 0.00 -1.45 0.00 0.00 41.25 38.28 1yx3 s ASN 22 CO 0.73 -0.67 1.94 0.18 -3.72 0.00 0.00 177.10 175.56 1yx3 n LEU 23 N 4.65 6.95 -0.07 3.21 4.77 -1.26 -4.47 117.00 130.78 1yx3 n LEU 23 Ca -0.04 -3.76 -0.15 0.00 -0.03 0.00 0.00 56.01 52.03 1yx3 n LEU 23 Cb 0.41 -0.92 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 1yx3 n LEU 23 CO 0.42 1.23 0.44 -1.13 -1.33 0.00 0.00 177.39 177.03 1yx3 h ASN 24 N 1.46 0.90 0.00 -1.43 -1.24 -1.98 -3.45 115.58 109.85 1yx3 h ASN 24 Ca 0.54 -0.54 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1yx3 h ASN 24 Cb 1.58 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1yx3 h ASN 24 CO 1.22 1.27 0.00 -0.67 -1.29 0.00 0.00 177.43 177.96 1yx3 n ASP 25 N -4.08 -0.05 -1.00 1.15 2.03 -1.26 -5.16 116.55 108.18 1yx3 n ASP 25 Ca -0.05 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1yx3 n ASP 25 Cb 0.60 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1yx3 n TRP 26 N -3.07 -2.08 -4.45 -0.67 -0.00 -1.26 -5.08 117.44 100.83 1yx3 n TRP 26 Ca 0.00 1.18 -0.25 0.00 -0.00 0.00 0.00 57.50 58.43 1yx3 n TRP 26 Cb 0.00 -2.59 -0.11 0.00 -0.00 0.00 0.00 31.31 28.61 1yx3 n TRP 26 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 1yx3 s VAL 27 N -0.74 2.39 0.50 5.87 -7.23 -1.26 -5.03 120.40 114.89 1yx3 s VAL 27 Ca 0.00 -2.25 0.20 0.00 -1.81 0.00 0.00 61.98 58.12 1yx3 s VAL 27 Cb 0.00 -2.22 0.35 0.00 0.56 0.00 0.00 36.38 35.08 1yx3 s VAL 27 CO 0.00 -0.30 2.02 1.55 -0.31 0.00 0.00 175.10 178.06 1yx3 h PRO 28 N 2.64 0.13 -0.05 4.82 0.13 -1.98 -0.98 132.00 136.71 1yx3 h PRO 28 Ca -0.42 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1yx3 h PRO 28 Cb 1.24 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yx3 h PRO 28 CO 0.55 0.09 0.01 0.78 -0.23 0.00 0.00 178.00 179.20 1yx3 h GLY 29 N 0.13 0.07 0.92 1.56 0.00 -1.99 -1.74 103.07 102.01 1yx3 h GLY 29 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1yx3 h GLY 29 CO -0.03 0.03 0.11 -2.08 0.00 0.00 0.00 176.54 174.57 1yx3 h VAL 30 N 0.07 1.16 -0.73 4.60 2.07 -1.55 -1.67 116.25 120.19 1yx3 h VAL 30 Ca 0.02 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1yx3 h VAL 30 Cb 0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1yx3 h VAL 30 CO -0.00 0.16 0.21 0.00 0.02 0.00 0.00 177.57 177.97 1yx3 h ALA 31 N 0.96 0.96 0.61 1.67 0.00 -1.48 -1.33 119.26 120.66 1yx3 h ALA 31 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1yx3 h ALA 31 Cb 0.15 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yx3 h ALA 31 CO -0.01 0.66 -0.29 0.22 0.00 0.00 0.00 179.25 179.83 1yx3 h ASP 32 N 1.10 -0.69 -0.42 0.00 1.82 -1.11 0.14 116.42 117.25 1yx3 h ASP 32 Ca 0.23 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.83 1yx3 h ASP 32 Cb 0.33 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1yx3 h ASP 32 CO -0.00 -0.48 0.08 0.58 -1.61 0.00 0.00 179.24 177.81 1yx3 h VAL 33 N -0.84 1.22 0.00 2.25 2.07 -1.29 -2.17 116.25 117.49 1yx3 h VAL 33 Ca -0.08 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1yx3 h VAL 33 Cb 0.63 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1yx3 h VAL 33 CO 0.14 0.31 -0.03 -0.03 0.02 0.00 0.00 177.57 177.98 1yx3 h MET 34 N 0.73 0.00 0.05 1.57 1.85 -1.10 -2.92 114.93 115.11 1yx3 h MET 34 Ca 0.16 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 59.01 1yx3 h MET 34 Cb 0.33 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.36 1yx3 h MET 34 CO 0.00 0.03 -1.04 0.00 -0.40 0.00 0.00 176.91 175.50 1yx3 h ALA 35 N 1.97 0.30 0.00 0.39 0.00 -0.12 -3.15 119.26 118.66 1yx3 h ALA 35 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1yx3 h ALA 35 Cb 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1yx3 h ALA 35 CO 0.00 0.92 -0.07 0.87 0.00 0.00 0.00 179.25 180.98 1yx3 h LYS 36 N 0.13 0.00 -0.27 0.00 1.57 -1.25 -0.76 116.57 116.00 1yx3 h LYS 36 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1yx3 h LYS 36 Cb 1.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.01 1yx3 h LYS 36 CO 0.17 0.07 0.18 1.96 -0.57 0.00 0.00 179.45 181.26 1yx3 h GLN 37 N 0.00 0.34 -0.34 3.15 4.20 -1.52 -1.45 115.11 119.50 1yx3 h GLN 37 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1yx3 h GLN 37 Cb 0.21 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1yx3 h GLN 37 CO 0.01 0.23 0.00 -0.25 -0.67 0.00 0.00 178.83 178.15 1yx3 n ASP 38 N -4.50 3.02 -1.78 1.46 9.92 -0.40 -4.95 116.55 119.32 1yx3 n ASP 38 Ca 0.01 -1.89 -0.20 0.00 -0.53 0.00 0.00 54.79 52.19 1yx3 n ASP 38 Cb 0.08 -0.22 -0.06 0.00 -0.64 0.00 0.00 41.12 40.28 1yx3 n ASP 38 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1yx3 n ASN 39 N 0.98 -5.47 -4.53 -2.24 3.02 -0.55 -4.94 115.26 101.54 1yx3 n ASN 39 Ca 0.15 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.57 1yx3 n ASN 39 Cb 0.48 -4.62 -0.07 0.00 -0.61 0.00 0.00 39.78 34.95 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1yx3 s LEU 40 N -4.90 4.48 -0.29 3.41 2.96 -0.54 -4.95 118.68 118.84 1yx3 s LEU 40 Ca 0.00 -0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1yx3 s LEU 40 Cb 0.00 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1yx3 s LEU 40 CO 0.00 -0.72 1.39 -0.70 -1.32 0.00 0.00 176.35 175.01 1yx3 s GLU 41 N 2.72 3.86 -0.37 1.98 2.12 -1.26 -4.38 118.70 123.37 1yx3 s GLU 41 Ca 0.22 1.33 -0.29 0.00 0.36 0.00 0.00 54.97 56.59 1yx3 s GLU 41 Cb -0.14 -3.93 -0.00 0.00 0.26 0.00 0.00 34.13 30.31 1yx3 s GLU 41 CO 0.18 -1.20 1.56 -0.51 -0.54 0.00 0.00 175.26 174.75 1yx3 s LEU 42 N 4.67 3.56 0.76 2.70 1.43 -1.26 -4.98 118.68 125.57 1yx3 s LEU 42 Ca 0.61 1.03 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1yx3 s LEU 42 Cb -0.19 -3.53 0.15 0.00 0.03 0.00 0.00 46.19 42.65 1yx3 s LEU 42 CO 0.25 -1.53 1.04 0.42 0.23 0.00 0.00 176.35 176.76 1yx3 s THR 43 N 5.97 2.04 0.43 5.49 -4.23 -1.26 -4.84 115.64 119.23 1yx3 s THR 43 Ca 0.69 -0.58 0.11 0.00 -1.18 0.00 0.00 61.69 60.72 1yx3 s THR 43 Cb -0.17 -2.45 0.21 0.00 1.34 0.00 0.00 72.50 71.42 1yx3 s THR 43 CO 0.33 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 176.08 1yx3 h GLU 44 N -0.65 0.24 -0.42 3.99 5.08 -1.98 0.24 114.58 121.07 1yx3 h GLU 44 Ca -0.35 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 1yx3 h GLU 44 Cb 1.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1yx3 h GLU 44 CO 0.37 0.28 -0.07 0.93 -1.00 0.00 0.00 179.01 179.52 1yx3 h GLU 45 N 0.23 0.80 -0.03 2.33 4.39 -1.99 -0.52 114.58 119.80 1yx3 h GLU 45 Ca 0.06 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 1yx3 h GLU 45 Cb 0.19 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1yx3 h GLU 45 CO 0.01 0.90 0.01 0.45 -1.16 0.00 0.00 179.01 179.22 1yx3 h HIS 46 N 0.62 0.05 0.00 4.33 3.86 -1.66 -2.56 115.15 119.79 1yx3 h HIS 46 Ca 0.11 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1yx3 h HIS 46 Cb 0.59 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1yx3 h HIS 46 CO 0.05 0.22 -0.05 -1.49 0.86 0.00 0.00 177.93 177.52 1yx3 h TRP 47 N -0.14 0.00 -0.45 2.45 4.06 -0.52 -0.02 115.95 121.32 1yx3 h TRP 47 Ca 0.01 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.85 1yx3 h TRP 47 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 1yx3 h TRP 47 CO -0.01 0.05 -0.16 0.22 -3.56 0.00 0.00 178.44 174.99 1yx3 h ASP 48 N 0.00 0.91 -0.35 -3.49 3.58 -0.86 0.30 116.42 116.51 1yx3 h ASP 48 Ca -0.00 -0.38 -0.08 0.00 0.42 0.00 0.00 57.03 56.98 1yx3 h ASP 48 Cb 0.10 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1yx3 h ASP 48 CO 0.01 1.09 -0.10 0.40 -2.88 0.00 0.00 179.24 177.75 1yx3 h ILE 49 N 0.73 1.28 -0.48 2.25 1.08 -0.92 -1.79 117.51 119.67 1yx3 h ILE 49 Ca 0.11 -1.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.39 1yx3 h ILE 49 Cb 0.72 1.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1yx3 h ILE 49 CO 0.05 0.39 0.27 0.40 -0.69 0.00 0.00 178.15 178.57 1yx3 h ILE 50 N 0.48 1.16 -0.57 -0.67 2.04 -0.91 -1.93 117.51 117.11 1yx3 h ILE 50 Ca 0.09 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.62 1yx3 h ILE 50 Cb 0.61 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1yx3 h ILE 50 CO 0.04 0.17 0.24 -1.13 0.00 0.00 0.00 178.15 177.47 1yx3 h ASN 51 N 0.63 0.28 0.56 1.72 -0.73 -0.30 0.22 115.58 117.96 1yx3 h ASN 51 Ca 0.17 0.06 -0.02 0.00 1.87 0.00 0.00 56.30 58.38 1yx3 h ASN 51 Cb 0.04 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1yx3 h ASN 51 CO -0.03 0.18 -0.39 0.15 -0.37 0.00 0.00 177.43 176.97 1yx3 h PHE 52 N 0.44 -1.04 -0.14 0.67 3.57 -0.89 -2.67 116.94 116.88 1yx3 h PHE 52 Ca 0.27 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1yx3 h PHE 52 Cb 0.28 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1yx3 h PHE 52 CO -0.14 -0.57 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.15 1yx3 h LEU 53 N -0.91 0.21 0.30 0.59 3.38 -1.09 0.14 115.31 117.92 1yx3 h LEU 53 Ca -0.06 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yx3 h LEU 53 Cb 0.76 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1yx3 h LEU 53 CO 0.03 0.37 -0.48 -0.09 0.09 0.00 0.00 178.44 178.37 1yx3 h ARG 54 N 0.21 -0.79 0.00 1.13 9.65 -0.30 -0.35 114.38 123.93 1yx3 h ARG 54 Ca 0.04 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1yx3 h ARG 54 Cb 0.38 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1yx3 h ARG 54 CO 0.02 -0.53 -0.28 0.93 2.80 0.00 0.00 179.97 182.92 1yx3 h GLU 55 N -0.82 0.00 -0.34 0.20 3.07 -1.36 -2.54 114.58 112.79 1yx3 h GLU 55 Ca -0.03 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 1yx3 h GLU 55 Cb 0.75 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1yx3 h GLU 55 CO -0.15 0.00 -0.02 -0.92 -1.40 0.00 0.00 179.01 176.51 1yx3 h TYR 56 N 0.00 0.67 -0.02 4.33 3.20 -0.50 0.14 116.97 124.78 1yx3 h TYR 56 Ca 0.00 -0.12 -0.19 0.00 3.14 0.00 0.00 58.73 61.55 1yx3 h TYR 56 Cb 0.78 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1yx3 h TYR 56 CO 0.00 0.74 -0.82 -0.92 -1.64 0.00 0.00 178.16 175.52 1yx3 h TYR 57 N 0.41 0.40 -0.07 -3.82 3.20 -1.05 0.96 116.97 117.00 1yx3 h TYR 57 Ca 0.09 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1yx3 h TYR 57 Cb 0.49 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1yx3 h TYR 57 CO 0.04 0.98 -0.01 1.49 -1.64 0.00 0.00 178.16 179.02 1yx3 h GLU 58 N 0.17 0.14 0.08 1.82 4.57 -1.37 0.32 114.58 120.31 1yx3 h GLU 58 Ca -0.04 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 1yx3 h GLU 58 Cb 1.42 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 30.01 1yx3 h GLU 58 CO 0.13 0.45 -0.56 1.49 -1.18 0.00 0.00 179.01 179.34 1yx3 h GLU 59 N -0.19 0.18 0.00 1.92 4.81 -0.76 -3.37 114.58 117.17 1yx3 h GLU 59 Ca 0.02 -0.30 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1yx3 h GLU 59 Cb 0.39 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1yx3 h GLU 59 CO 0.01 1.14 -1.60 0.66 -0.73 0.00 0.00 179.01 178.49 1yx3 n TYR 60 N -4.30 0.80 -2.02 0.92 4.02 0.32 -4.96 117.16 111.93 1yx3 n TYR 60 Ca -0.14 0.27 -0.16 0.00 -0.01 0.00 0.00 57.90 57.86 1yx3 n TYR 60 Cb 0.70 -1.04 -0.03 0.00 -0.02 0.00 0.00 39.34 38.94 1yx3 n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1yx3 n GLN 61 N -2.84 -1.22 -5.07 -0.72 1.13 0.10 -5.00 117.38 103.77 1yx3 n GLN 61 Ca -0.13 0.87 -0.32 0.00 -1.94 0.00 0.00 57.00 55.48 1yx3 n GLN 61 Cb 0.87 -5.19 -0.15 0.00 0.11 0.00 0.00 30.24 25.88 1yx3 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yx3 s ILE 62 N -2.73 2.48 -0.38 5.09 1.01 -1.26 -5.00 121.20 120.41 1yx3 s ILE 62 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.63 1yx3 s ILE 62 Cb 0.00 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1yx3 s ILE 62 CO 0.00 0.56 0.24 0.00 0.00 0.00 0.00 174.94 175.74 1yx3 s ALA 63 N -0.05 3.37 0.27 9.38 0.00 -1.26 -4.26 121.76 129.21 1yx3 s ALA 63 Ca -0.05 -1.66 -0.29 0.00 0.00 0.00 0.00 51.96 49.95 1yx3 s ALA 63 Cb -0.14 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 1yx3 s ALA 63 CO 0.05 -1.34 1.04 -1.25 0.00 0.00 0.00 175.76 174.26 1yx3 s PRO 64 N 1.62 4.69 1.16 0.00 0.04 -1.26 -4.84 135.00 136.41 1yx3 s PRO 64 Ca 0.04 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1yx3 s PRO 64 Cb -0.19 -3.18 0.27 0.00 0.04 0.00 0.00 34.50 31.44 1yx3 s PRO 64 CO 0.08 0.30 1.09 0.00 0.04 0.00 0.00 177.00 178.52 1yx3 s ALA 65 N -1.20 0.58 0.23 8.56 0.00 -1.26 -4.58 121.76 124.10 1yx3 s ALA 65 Ca 0.44 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1yx3 s ALA 65 Cb -0.29 -2.96 0.26 0.00 0.00 0.00 0.00 23.12 20.12 1yx3 s ALA 65 CO 0.37 -3.45 1.67 -0.24 0.00 0.00 0.00 175.76 174.11 1yx3 h VAL 66 N -2.44 1.26 -0.13 0.00 3.04 -1.86 0.40 116.25 116.52 1yx3 h VAL 66 Ca -0.48 -1.25 -0.16 0.00 -1.01 0.00 0.00 66.70 63.80 1yx3 h VAL 66 Cb 1.31 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1yx3 h VAL 66 CO 0.41 0.42 -0.59 -0.09 -1.01 0.00 0.00 177.57 176.71 1yx3 h ARG 67 N 0.65 0.45 -0.09 4.17 2.43 -1.90 -2.80 114.38 117.28 1yx3 h ARG 67 Ca 0.10 -0.30 -0.14 0.00 -0.81 0.00 0.00 59.98 58.83 1yx3 h ARG 67 Cb 0.66 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1yx3 h ARG 67 CO 0.05 0.91 -0.48 0.28 -1.51 0.00 0.00 179.97 179.22 1yx3 h VAL 68 N 0.33 1.38 -0.39 0.20 2.07 -1.67 -2.77 116.25 115.41 1yx3 h VAL 68 Ca -0.00 -1.83 0.03 0.00 0.82 0.00 0.00 66.70 65.72 1yx3 h VAL 68 Cb 1.13 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1yx3 h VAL 68 CO 0.10 0.54 0.19 0.25 0.02 0.00 0.00 177.57 178.68 1yx3 h LEU 69 N 0.06 0.28 -0.81 2.57 5.85 -0.26 -0.03 115.31 122.97 1yx3 h LEU 69 Ca -0.03 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1yx3 h LEU 69 Cb 1.13 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1yx3 h LEU 69 CO 0.10 0.21 0.53 0.74 -0.34 0.00 0.00 178.44 179.67 1yx3 h THR 70 N 0.40 1.16 0.00 1.05 2.02 -1.53 0.11 112.91 116.12 1yx3 h THR 70 Ca 0.17 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 1yx3 h THR 70 Cb 0.08 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1yx3 h THR 70 CO -0.12 0.19 -0.36 0.50 0.37 0.00 0.00 175.52 176.10 1yx3 h LYS 71 N 1.05 0.00 0.07 6.66 3.64 -1.12 -1.89 116.57 124.99 1yx3 h LYS 71 Ca 0.31 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.44 1yx3 h LYS 71 Cb -0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1yx3 h LYS 71 CO -0.09 0.36 -1.10 0.00 -2.27 0.00 0.00 179.45 176.35 1yx3 h ALA 72 N 1.64 0.24 -0.43 5.00 0.00 0.07 -3.10 119.26 122.68 1yx3 h ALA 72 Ca -0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1yx3 h ALA 72 Cb 0.76 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1yx3 h ALA 72 CO 0.05 0.94 0.03 0.28 0.00 0.00 0.00 179.25 180.55 1yx3 h VAL 73 N 0.11 1.22 0.00 0.00 2.07 -0.49 -0.48 116.25 118.69 1yx3 h VAL 73 Ca -0.10 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1yx3 h VAL 73 Cb 1.79 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1yx3 h VAL 73 CO 0.18 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1yx3 n GLY 74 N -0.81 0.10 0.00 2.17 0.00 -0.74 -2.18 105.19 103.73 1yx3 n GLY 74 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1yx3 n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1yx3 n LYS 75 N -0.22 3.83 -0.11 1.61 4.81 -0.23 -4.52 118.16 123.33 1yx3 n LYS 75 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1yx3 n LYS 75 Cb 0.09 -0.58 -0.11 0.00 0.02 0.00 0.00 35.03 34.44 1yx3 n LYS 75 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yx3 n LYS 76 N -0.93 0.63 -0.91 1.64 4.81 -0.93 -4.55 118.16 117.92 1yx3 n LYS 76 Ca 0.00 0.12 -0.18 0.00 -0.87 0.00 0.00 58.31 57.38 1yx3 n LYS 76 Cb 0.00 -1.46 0.05 0.00 0.02 0.00 0.00 35.03 33.64 1yx3 n LYS 76 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yx3 n LEU 77 N -3.11 6.46 0.00 3.14 7.99 -1.07 -4.87 117.00 125.54 1yx3 n LEU 77 Ca -0.39 -3.34 0.00 0.00 -0.01 0.00 0.00 56.01 52.27 1yx3 n LEU 77 Cb 0.95 -1.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1yx3 n LEU 77 CO 0.25 1.21 0.00 0.61 -1.51 0.00 0.00 177.39 177.95 1yx3 n GLY 78 N 0.17 0.75 0.00 -0.72 0.00 -1.26 -4.59 105.19 99.53 1yx3 n GLY 78 Ca 0.33 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yx3 n LYS 79 N 0.00 0.00 -3.59 1.61 4.76 -1.26 -4.82 118.16 114.86 1yx3 n LYS 79 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1yx3 n LYS 79 Cb 0.00 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 1yx3 n LYS 79 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1yx3 s GLU 80 N 0.00 2.79 0.06 1.97 -1.05 -1.26 -4.08 118.70 117.13 1yx3 s GLU 80 Ca 0.00 -2.35 0.00 0.00 -0.15 0.00 0.00 54.97 52.47 1yx3 s GLU 80 Cb 0.00 -3.94 0.00 0.00 -0.44 0.00 0.00 34.13 29.75 1yx3 s GLU 80 CO 0.00 -1.20 0.00 1.17 0.95 0.00 0.00 175.26 176.18 1yx3 n LYS 81 N 3.91 0.00 -1.92 -4.83 4.81 -1.26 -4.87 118.16 114.00 1yx3 n LYS 81 Ca 0.06 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.14 1yx3 n LYS 81 Cb 0.41 -0.29 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yx3 n GLY 82 N 2.47 5.15 0.11 3.14 0.00 -1.26 -4.37 105.19 110.44 1yx3 n GLY 82 Ca 0.00 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.66 1yx3 n GLY 82 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1yx3 h ASN 83 N 3.60 0.45 0.00 1.61 4.21 -1.89 -3.34 115.58 120.22 1yx3 h ASN 83 Ca 0.54 -0.56 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1yx3 h ASN 83 Cb 0.39 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1yx3 h ASN 83 CO 1.21 1.45 0.00 -0.24 -1.29 0.00 0.00 177.43 178.56 1yx3 n SER 84 N -3.51 -1.10 -0.13 5.81 2.88 -1.26 -4.95 113.62 111.36 1yx3 n SER 84 Ca -0.14 0.24 -0.04 0.00 -1.33 0.00 0.00 58.87 57.60 1yx3 n SER 84 Cb 1.04 1.39 0.03 0.00 -0.75 0.00 0.00 64.21 65.92 1yx3 n SER 84 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1yx3 h LYS 85 N 0.00 0.07 -0.52 -1.46 1.79 -1.92 -2.31 116.57 112.22 1yx3 h LYS 85 Ca 0.00 -0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 1yx3 h LYS 85 Cb 0.00 -0.02 -0.10 0.00 -1.58 0.00 0.00 32.23 30.53 1yx3 h LYS 85 CO 0.00 0.05 -0.18 -0.92 -1.08 0.00 0.00 179.45 177.31 1yx3 h TYR 86 N 0.07 -0.43 -0.08 -1.35 3.20 -1.91 0.15 116.97 116.62 1yx3 h TYR 86 Ca 0.20 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.04 1yx3 h TYR 86 Cb 0.30 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1yx3 h TYR 86 CO -0.30 -0.27 -0.27 -0.07 -1.64 0.00 0.00 178.16 175.60 1yx3 h LEU 87 N -0.06 0.38 -0.53 2.82 -0.00 -1.76 -1.47 115.31 114.69 1yx3 h LEU 87 Ca 0.25 -0.61 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 1yx3 h LEU 87 Cb 0.44 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1yx3 h LEU 87 CO -0.57 0.93 0.00 -1.22 -0.00 0.00 0.00 178.44 177.58 1yx3 n TYR 88 N -4.47 0.61 0.02 1.13 4.01 -0.91 -0.65 117.16 116.90 1yx3 n TYR 88 Ca -0.08 0.24 -0.22 0.00 -0.16 0.00 0.00 57.90 57.68 1yx3 n TYR 88 Cb 0.46 -0.89 -0.14 0.00 -0.31 0.00 0.00 39.34 38.46 1yx3 n TYR 88 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1yx3 h SER 89 N 0.00 0.46 -0.31 7.72 0.02 -0.58 -3.30 113.55 117.55 1yx3 h SER 89 Ca 0.00 -0.94 -0.10 0.00 -0.84 0.00 0.00 61.79 59.91 1yx3 h SER 89 Cb 0.33 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1yx3 h SER 89 CO 0.00 1.83 -0.18 -0.07 -1.14 0.00 0.00 176.83 177.27 1yx3 h LEU 90 N 0.04 0.70 -7.31 5.07 3.38 -0.80 -3.40 115.31 113.00 1yx3 h LEU 90 Ca -0.40 -0.42 -0.59 0.00 0.09 0.00 0.00 57.88 56.56 1yx3 h LEU 90 Cb 2.02 -0.19 -0.40 0.00 0.09 0.00 0.00 40.66 42.18 1yx3 h LEU 90 CO 0.10 0.97 -0.75 -0.36 0.09 0.00 0.00 178.44 178.49 1yx3 s PHE 91 N -4.56 2.10 0.09 1.13 0.08 0.17 -5.03 117.98 111.96 1yx3 s PHE 91 Ca -0.13 -1.90 -0.25 0.00 0.12 0.00 0.00 56.93 54.78 1yx3 s PHE 91 Cb 0.09 -1.87 -0.15 0.00 -0.57 0.00 0.00 43.02 40.52 1yx3 s PHE 91 CO 0.81 -0.86 1.72 -1.35 -0.10 0.00 0.00 175.22 175.44 1yx3 h PRO 92 N 8.00 -0.17 0.15 0.24 0.11 -1.79 -3.33 132.00 135.22 1yx3 h PRO 92 Ca -0.13 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1yx3 h PRO 92 Cb 1.03 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1yx3 h PRO 92 CO 0.46 -0.11 -0.07 1.88 -0.21 0.00 0.00 178.00 179.95 1yx3 h TYR 93 N -0.17 -0.19 -1.62 0.65 0.05 -1.95 -3.46 116.97 110.27 1yx3 h TYR 93 Ca -0.01 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.68 1yx3 h TYR 93 Cb 0.14 0.06 -0.27 0.00 1.01 0.00 0.00 36.73 37.68 1yx3 h TYR 93 CO -0.08 0.17 -0.42 0.20 -1.05 0.00 0.00 178.16 176.97 1yx3 s GLY 94 N -3.39 -0.60 0.16 3.88 0.00 -1.25 -5.04 107.32 101.07 1yx3 s GLY 94 Ca -0.10 1.13 -0.20 0.00 0.00 0.00 0.00 44.72 45.55 1yx3 s GLY 94 CO 0.34 2.90 1.65 -2.55 0.00 0.00 0.00 173.10 175.44 1yx3 h PRO 95 N 8.13 -0.15 -0.51 2.90 0.11 -1.84 -1.59 132.00 139.05 1yx3 h PRO 95 Ca -0.20 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.88 1yx3 h PRO 95 Cb 1.16 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1yx3 h PRO 95 CO 0.27 -0.10 0.14 0.00 -0.21 0.00 0.00 178.00 178.10 1yx3 h ALA 96 N 1.03 0.67 -0.24 -0.75 0.00 -1.91 -1.49 119.26 116.57 1yx3 h ALA 96 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yx3 h ALA 96 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yx3 h ALA 96 CO -0.39 0.35 0.12 -0.22 0.00 0.00 0.00 179.25 179.11 1yx3 h LYS 97 N 0.70 0.34 0.01 0.00 3.64 -1.86 -1.59 116.57 117.82 1yx3 h LYS 97 Ca 0.16 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1yx3 h LYS 97 Cb 0.30 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1yx3 h LYS 97 CO -0.00 0.32 -0.55 1.96 -2.27 0.00 0.00 179.45 178.91 1yx3 h GLN 98 N 0.27 0.35 -0.47 1.90 1.08 -1.30 -2.65 115.11 114.29 1yx3 h GLN 98 Ca 0.08 -0.39 0.02 0.00 -1.45 0.00 0.00 58.65 56.91 1yx3 h GLN 98 Cb 0.09 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.61 1yx3 h GLN 98 CO -0.01 1.08 0.28 0.00 -0.95 0.00 0.00 178.83 179.23 1yx3 h ALA 99 N 0.28 0.60 -0.44 3.87 0.00 -1.25 -1.76 119.26 120.56 1yx3 h ALA 99 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1yx3 h ALA 99 Cb 1.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1yx3 h ALA 99 CO 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 1yx3 h ARG 101 N 0.62 -0.08 -0.27 0.00 2.43 -1.06 0.38 114.38 116.40 1yx3 h ARG 101 Ca 0.12 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1yx3 h ARG 101 Cb 0.50 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1yx3 h ARG 101 CO 0.02 -0.06 -0.13 0.74 -1.51 0.00 0.00 179.97 179.04 1yx3 h PHE 102 N -0.09 0.49 0.00 2.20 0.04 -1.26 -0.62 116.94 117.70 1yx3 h PHE 102 Ca 0.14 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1yx3 h PHE 102 Cb 0.29 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1yx3 h PHE 102 CO -0.30 0.58 0.00 0.00 -0.60 0.00 0.00 178.31 177.98 1yx3 n ALA 103 N -2.48 2.42 -0.59 2.45 0.00 -0.83 -4.16 120.51 117.32 1yx3 n ALA 103 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1yx3 n ALA 103 Cb 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1yx3 n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx3 n GLY 104 N 1.22 0.79 3.76 0.00 0.00 -0.24 -4.87 105.19 105.85 1yx3 n GLY 104 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1yx3 n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx3 s LEU 105 N 0.00 4.51 0.57 0.99 1.43 0.12 -4.41 118.68 121.89 1yx3 s LEU 105 Ca 0.00 2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 55.31 1yx3 s LEU 105 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1yx3 s LEU 105 CO 0.00 -0.28 1.33 -2.84 0.23 0.00 0.00 176.35 174.79 1yx3 s PRO 106 N -1.58 3.00 -0.21 1.29 0.02 -1.26 -4.06 135.00 132.20 1yx3 s PRO 106 Ca 0.46 2.17 -0.35 0.00 0.02 0.00 0.00 61.00 63.30 1yx3 s PRO 106 Cb -0.35 -2.14 -0.12 0.00 0.02 0.00 0.00 34.50 31.92 1yx3 s PRO 106 CO 0.45 -1.28 1.99 0.36 -0.33 0.00 0.00 177.00 178.19 1yx3 n LYS 107 N -1.26 1.67 -1.49 5.54 2.85 -1.26 -4.83 118.16 119.38 1yx3 n LYS 107 Ca 0.12 0.56 -0.40 0.00 -1.05 0.00 0.00 58.31 57.54 1yx3 n LYS 107 Cb 0.46 -2.56 -0.02 0.00 -0.65 0.00 0.00 35.03 32.26 1yx3 n LYS 107 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1yx3 n PRO 108 N 7.13 2.99 0.00 -1.58 -0.02 -1.26 -4.70 135.00 137.56 1yx3 n PRO 108 Ca 0.30 -2.35 0.00 0.00 -2.02 0.00 0.00 63.50 59.43 1yx3 n PRO 108 Cb 0.26 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.69 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1yx3 n THR 109 N 4.61 0.00 -0.87 3.45 -2.24 -1.26 -4.47 114.28 113.50 1yx3 n THR 109 Ca 0.60 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.38 1yx3 n THR 109 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1yx3 n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx3 n GLY 110 N 0.00 0.94 0.00 3.38 0.00 -1.26 -4.81 105.19 103.44 1yx3 n GLY 110 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32