#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 3.06 0.71 -5.12 0.00 -1.26 -4.99 121.76 114.17 1yx3 s ALA 2 Ca 0.00 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1yx3 s ALA 2 Cb 0.00 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.69 1yx3 s ALA 2 CO 0.00 -0.82 1.07 0.16 0.00 0.00 0.00 175.76 176.17 1yx3 s ASP 3 N -1.05 5.13 0.14 0.00 -4.77 -1.26 -4.83 116.67 110.02 1yx3 s ASP 3 Ca 0.62 1.69 0.09 0.00 -3.30 0.00 0.00 52.55 51.65 1yx3 s ASP 3 Cb -0.34 -2.50 -0.04 0.00 -1.09 0.00 0.00 42.92 38.95 1yx3 s ASP 3 CO 0.42 -1.61 -0.22 0.42 0.70 0.00 0.00 175.17 174.88 1yx3 s THR 4 N -2.98 1.93 -0.11 2.11 -4.23 -1.26 -2.30 115.64 108.80 1yx3 s THR 4 Ca 0.59 -1.75 -0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1yx3 s THR 4 Cb -0.15 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1yx3 s THR 4 CO 0.55 -0.11 -0.09 0.27 -0.54 0.00 0.00 174.62 174.70 1yx3 s ILE 5 N -1.45 3.46 -0.39 2.99 -4.36 -0.10 -4.90 121.20 116.45 1yx3 s ILE 5 Ca 0.12 -0.54 -0.17 0.00 -0.26 0.00 0.00 60.65 59.81 1yx3 s ILE 5 Cb -0.09 -2.45 0.01 0.00 1.25 0.00 0.00 42.46 41.18 1yx3 s ILE 5 CO 0.06 0.54 0.45 -0.70 0.24 0.00 0.00 174.94 175.53 1yx3 s GLU 6 N -0.09 3.31 -0.10 0.37 -6.30 -1.26 -0.51 118.70 114.12 1yx3 s GLU 6 Ca -0.00 -0.55 0.00 0.00 -2.50 0.00 0.00 54.97 51.93 1yx3 s GLU 6 Cb -0.13 -3.90 0.02 0.00 0.00 0.00 0.00 34.13 30.12 1yx3 s GLU 6 CO 0.03 -0.75 -0.09 0.08 0.02 0.00 0.00 175.26 174.56 1yx3 s VAL 7 N 2.20 1.04 0.00 3.70 1.01 -0.39 -4.74 120.40 123.21 1yx3 s VAL 7 Ca 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1yx3 s VAL 7 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1yx3 s VAL 7 CO 0.13 0.36 0.00 0.47 0.00 0.00 0.00 175.10 176.07 1yx3 n ASP 8 N 4.65 -3.67 0.00 3.32 8.00 -1.26 -0.86 116.55 126.72 1yx3 n ASP 8 Ca -0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1yx3 n ASP 8 Cb 0.50 -1.86 0.00 0.00 -0.02 0.00 0.00 41.12 39.74 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yx3 n GLY 9 N -1.18 0.84 3.84 0.44 0.00 -1.26 -5.08 105.19 102.79 1yx3 n GLY 9 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1yx3 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yx3 s LYS 10 N -0.73 3.07 -0.39 1.61 1.02 -0.04 -5.09 119.74 119.18 1yx3 s LYS 10 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 1yx3 s LYS 10 Cb 0.00 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.58 1yx3 s LYS 10 CO 0.00 0.53 0.22 -0.65 -0.92 0.00 0.00 175.35 174.53 1yx3 s GLN 11 N -2.84 2.70 -0.46 1.68 1.11 -1.26 -1.27 119.66 119.32 1yx3 s GLN 11 Ca 0.32 -1.27 -0.18 0.00 0.01 0.00 0.00 55.36 54.24 1yx3 s GLN 11 Cb -0.11 -3.72 0.04 0.00 -1.01 0.00 0.00 33.01 28.20 1yx3 s GLN 11 CO 0.25 -0.81 0.53 -0.06 0.01 0.00 0.00 175.29 175.20 1yx3 s PHE 12 N 1.48 3.12 0.04 0.91 0.08 0.33 -4.89 117.98 119.05 1yx3 s PHE 12 Ca 0.02 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 1yx3 s PHE 12 Cb -0.21 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 38.98 1yx3 s PHE 12 CO 0.04 -0.85 1.23 0.00 -0.10 0.00 0.00 175.22 175.54 1yx3 s ALA 13 N 2.38 3.43 0.20 5.36 0.00 -1.26 -0.93 121.76 130.95 1yx3 s ALA 13 Ca 0.14 0.83 0.11 0.00 0.00 0.00 0.00 51.96 53.05 1yx3 s ALA 13 Cb -0.18 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1yx3 s ALA 13 CO 0.13 -0.53 -0.23 0.14 0.00 0.00 0.00 175.76 175.27 1yx3 s VAL 14 N 1.35 2.42 0.78 0.00 -7.23 -0.97 -1.69 120.40 115.06 1yx3 s VAL 14 Ca 0.59 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 1yx3 s VAL 14 Cb -0.29 -2.18 0.06 0.00 0.56 0.00 0.00 36.38 34.53 1yx3 s VAL 14 CO 0.28 -0.16 1.10 -0.62 -0.31 0.00 0.00 175.10 175.39 1yx3 s ASP 15 N -2.80 4.39 0.61 4.85 2.15 0.14 -4.30 116.67 121.71 1yx3 s ASP 15 Ca 0.22 1.86 0.37 0.00 0.43 0.00 0.00 52.55 55.44 1yx3 s ASP 15 Cb -0.08 -2.53 1.96 0.00 -0.30 0.00 0.00 42.92 41.98 1yx3 s ASP 15 CO 0.11 -2.12 2.23 -0.08 -0.17 0.00 0.00 175.17 175.14 1yx3 h GLU 16 N -1.15 0.00 -0.09 4.34 4.81 -1.96 0.36 114.58 120.89 1yx3 h GLU 16 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1yx3 h GLU 16 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1yx3 h GLU 16 CO 0.51 0.03 0.00 0.39 -0.73 0.00 0.00 179.01 179.20 1yx3 n GLU 17 N -3.32 1.52 -2.15 1.92 1.02 -1.26 -4.92 120.64 113.44 1yx3 n GLU 17 Ca -0.02 -0.77 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 1yx3 n GLU 17 Cb 0.15 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 1.06 0.94 3.49 0.62 0.00 0.13 -5.07 105.19 106.35 1yx3 n GLY 18 Ca 0.17 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.81 2.85 0.01 1.61 1.51 -1.23 -4.87 117.35 114.42 1yx3 s TYR 19 Ca 0.00 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1yx3 s TYR 19 Cb 0.00 -1.75 -0.08 0.00 -0.11 0.00 0.00 41.96 40.02 1yx3 s TYR 19 CO 0.00 0.11 1.86 -1.17 -1.11 0.00 0.00 175.55 175.24 1yx3 s LEU 20 N -0.35 4.40 0.00 -1.29 2.96 -1.26 0.26 118.68 123.39 1yx3 s LEU 20 Ca 0.04 2.52 0.22 0.00 -0.22 0.00 0.00 54.13 56.69 1yx3 s LEU 20 Cb -0.12 -3.53 0.58 0.00 0.50 0.00 0.00 46.19 43.61 1yx3 s LEU 20 CO 0.02 -1.01 1.49 -0.24 -1.32 0.00 0.00 176.35 175.30 1yx3 n SER 21 N 7.38 3.64 -4.00 3.68 2.88 -0.68 -4.72 113.62 121.80 1yx3 n SER 21 Ca 0.19 -1.99 -0.32 0.00 -1.33 0.00 0.00 58.87 55.42 1yx3 n SER 21 Cb 0.42 -0.41 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1yx3 n SER 21 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1yx3 s ASN 22 N -1.12 4.61 -0.19 -3.46 3.84 -1.25 -4.92 114.94 112.45 1yx3 s ASN 22 Ca 0.45 -2.77 0.12 0.00 0.21 0.00 0.00 52.86 50.86 1yx3 s ASN 22 Cb 0.24 -1.69 0.69 0.00 -0.55 0.00 0.00 41.25 39.94 1yx3 s ASN 22 CO 0.32 -0.30 1.55 0.18 -2.79 0.00 0.00 177.10 176.05 1yx3 n LEU 23 N 3.47 4.95 0.19 3.21 4.77 -1.26 -4.35 117.00 127.98 1yx3 n LEU 23 Ca 0.05 -2.51 0.06 0.00 -0.03 0.00 0.00 56.01 53.58 1yx3 n LEU 23 Cb 0.35 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 41.14 1yx3 n LEU 23 CO 0.32 0.57 0.69 0.78 -1.33 0.00 0.00 177.39 178.42 1yx3 h ASN 24 N 3.36 0.00 0.00 -1.43 2.35 -2.00 -3.44 115.58 114.43 1yx3 h ASN 24 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yx3 h ASN 24 Cb 1.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.10 1yx3 h ASN 24 CO 0.41 0.35 0.00 -0.67 -1.65 0.00 0.00 177.43 175.87 1yx3 n ASP 25 N -3.50 -0.75 -1.22 5.81 2.03 -1.26 -5.16 116.55 112.50 1yx3 n ASP 25 Ca -0.00 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1yx3 n ASP 25 Cb 0.50 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.85 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 -2.76 -2.61 -4.38 -0.67 -0.00 -1.26 -5.08 117.44 100.68 1yx3 n TRP 26 Ca 0.00 1.51 -0.25 0.00 -0.00 0.00 0.00 57.50 58.76 1yx3 n TRP 26 Cb 0.00 -2.83 -0.10 0.00 -0.00 0.00 0.00 31.31 28.39 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 -0.66 2.80 0.53 5.87 -7.23 -1.26 -5.02 120.40 115.44 1yx3 s VAL 27 Ca 0.00 -2.04 0.27 0.00 -1.81 0.00 0.00 61.98 58.39 1yx3 s VAL 27 Cb 0.00 -2.43 0.42 0.00 0.56 0.00 0.00 36.38 34.93 1yx3 s VAL 27 CO 0.00 -0.26 1.97 -0.65 -0.31 0.00 0.00 175.10 175.85 1yx3 h PRO 28 N 2.58 0.00 -0.15 4.82 0.11 -1.97 0.58 132.00 137.96 1yx3 h PRO 28 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1yx3 h PRO 28 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1yx3 h PRO 28 CO 0.56 0.00 0.11 0.78 -0.21 0.00 0.00 178.00 179.23 1yx3 h GLY 29 N 0.00 0.03 1.00 -0.55 0.00 -1.98 -1.48 103.07 100.09 1yx3 h GLY 29 Ca 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1yx3 h GLY 29 CO -0.00 0.01 0.25 -2.08 0.00 0.00 0.00 176.54 174.71 1yx3 h VAL 30 N 0.03 1.23 -0.49 4.60 2.07 -1.24 0.44 116.25 122.88 1yx3 h VAL 30 Ca 0.07 -0.71 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1yx3 h VAL 30 Cb 0.25 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1yx3 h VAL 30 CO -0.00 0.28 -0.15 0.00 0.02 0.00 0.00 177.57 177.71 1yx3 h ALA 31 N 1.09 0.79 0.17 1.67 0.00 -1.40 0.21 119.26 121.80 1yx3 h ALA 31 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1yx3 h ALA 31 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yx3 h ALA 31 CO -0.02 0.66 -0.08 0.22 0.00 0.00 0.00 179.25 180.03 1yx3 h ASP 32 N 0.84 -0.20 -0.23 0.00 3.58 -0.97 0.12 116.42 119.56 1yx3 h ASP 32 Ca 0.12 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 1yx3 h ASP 32 Cb 0.71 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.79 1yx3 h ASP 32 CO 0.05 -0.07 -0.06 0.58 -2.88 0.00 0.00 179.24 176.86 1yx3 h VAL 33 N -0.31 1.23 -0.30 2.25 2.07 -0.86 -2.34 116.25 117.99 1yx3 h VAL 33 Ca -0.02 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1yx3 h VAL 33 Cb 0.24 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1yx3 h VAL 33 CO 0.04 0.32 0.03 -0.03 0.02 0.00 0.00 177.57 177.96 1yx3 h MET 34 N 0.55 0.50 -0.34 1.57 1.85 -0.73 -2.99 114.93 115.33 1yx3 h MET 34 Ca 0.11 -0.14 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1yx3 h MET 34 Cb 0.44 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.40 1yx3 h MET 34 CO 0.02 0.62 0.20 0.00 -0.40 0.00 0.00 176.91 177.35 1yx3 h ALA 35 N 0.86 1.72 0.00 0.39 0.00 -0.43 -0.82 119.26 120.99 1yx3 h ALA 35 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1yx3 h ALA 35 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1yx3 h ALA 35 CO 0.01 0.25 -0.14 0.87 0.00 0.00 0.00 179.25 180.24 1yx3 h LYS 36 N 0.46 0.00 -0.14 0.00 1.57 -1.28 0.19 116.57 117.37 1yx3 h LYS 36 Ca 0.12 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 1yx3 h LYS 36 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1yx3 h LYS 36 CO -0.02 0.14 -0.58 1.96 -0.57 0.00 0.00 179.45 180.38 1yx3 h GLN 37 N 0.00 0.46 0.00 3.15 4.20 -1.14 -3.05 115.11 118.73 1yx3 h GLN 37 Ca -0.00 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1yx3 h GLN 37 Cb 0.25 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1yx3 h GLN 37 CO 0.02 0.91 -0.53 -0.25 -0.67 0.00 0.00 178.83 178.30 1yx3 n ASP 38 N -3.93 0.52 -1.87 1.46 8.00 -0.80 -4.93 116.55 115.00 1yx3 n ASP 38 Ca -0.03 -0.18 -0.19 0.00 0.71 0.00 0.00 54.79 55.11 1yx3 n ASP 38 Cb 0.61 0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.92 1yx3 n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yx3 n ASN 39 N -1.61 -5.36 -4.29 -2.24 3.02 -0.01 -4.97 115.26 99.80 1yx3 n ASN 39 Ca 0.05 0.16 -0.39 0.00 -0.03 0.00 0.00 54.58 54.38 1yx3 n ASN 39 Cb 0.36 -4.45 -0.12 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.97 4.61 0.17 3.41 0.20 -0.96 -5.03 118.68 116.12 1yx3 s LEU 40 Ca 0.00 -1.22 -0.30 0.00 0.69 0.00 0.00 54.13 53.30 1yx3 s LEU 40 Cb 0.00 -1.93 -0.08 0.00 -0.43 0.00 0.00 46.19 43.75 1yx3 s LEU 40 CO 0.00 -0.39 1.24 -1.83 -0.29 0.00 0.00 176.35 175.08 1yx3 s GLU 41 N 1.43 4.44 -0.45 1.98 1.03 -1.26 -4.66 118.70 121.21 1yx3 s GLU 41 Ca 0.00 1.93 -0.21 0.00 0.03 0.00 0.00 54.97 56.72 1yx3 s GLU 41 Cb -0.20 -3.24 0.03 0.00 -0.80 0.00 0.00 34.13 29.92 1yx3 s GLU 41 CO 0.03 -0.18 0.69 -0.51 -1.33 0.00 0.00 175.26 173.96 1yx3 s LEU 42 N -0.01 4.45 0.92 1.83 1.43 -1.26 -5.00 118.68 121.05 1yx3 s LEU 42 Ca 0.55 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 1yx3 s LEU 42 Cb -0.34 -2.77 0.17 0.00 0.03 0.00 0.00 46.19 43.28 1yx3 s LEU 42 CO 0.36 -0.83 1.28 0.42 0.23 0.00 0.00 176.35 177.81 1yx3 s THR 43 N 2.96 2.01 0.41 5.49 -4.23 -1.26 -4.77 115.64 116.25 1yx3 s THR 43 Ca 0.24 -0.03 0.09 0.00 -1.18 0.00 0.00 61.69 60.81 1yx3 s THR 43 Cb -0.14 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1yx3 s THR 43 CO 0.20 0.00 2.02 -0.33 -0.54 0.00 0.00 174.62 175.96 1yx3 h GLU 44 N -1.48 0.52 -0.03 3.99 5.08 -1.98 0.97 114.58 121.66 1yx3 h GLU 44 Ca -0.44 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 57.67 1yx3 h GLU 44 Cb 1.25 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1yx3 h GLU 44 CO 0.43 0.35 -0.87 0.93 -1.00 0.00 0.00 179.01 178.85 1yx3 h GLU 45 N 0.54 0.40 -0.09 2.33 5.08 -1.99 -1.32 114.58 119.53 1yx3 h GLU 45 Ca 0.22 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1yx3 h GLU 45 Cb 0.18 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1yx3 h GLU 45 CO -0.06 1.06 0.02 0.45 -1.00 0.00 0.00 179.01 179.48 1yx3 h HIS 46 N 0.24 0.16 -0.12 4.33 3.86 -1.66 -2.31 115.15 119.65 1yx3 h HIS 46 Ca -0.06 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1yx3 h HIS 46 Cb 1.49 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.91 1yx3 h HIS 46 CO 0.05 0.35 0.04 -1.49 0.86 0.00 0.00 177.93 177.75 1yx3 h TRP 47 N -0.08 0.16 -0.53 2.45 4.06 -0.84 -1.15 115.95 120.01 1yx3 h TRP 47 Ca 0.03 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.93 1yx3 h TRP 47 Cb 0.28 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 1yx3 h TRP 47 CO 0.01 0.14 0.15 0.22 -3.56 0.00 0.00 178.44 175.40 1yx3 h ASP 48 N 0.17 0.79 -0.41 -3.49 3.58 -0.94 0.32 116.42 116.44 1yx3 h ASP 48 Ca 0.04 -0.22 -0.11 0.00 0.42 0.00 0.00 57.03 57.17 1yx3 h ASP 48 Cb 0.05 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 1yx3 h ASP 48 CO -0.00 0.80 -0.17 0.40 -2.88 0.00 0.00 179.24 177.39 1yx3 h ILE 49 N 0.74 1.28 -0.56 2.25 1.08 -0.81 0.13 117.51 121.62 1yx3 h ILE 49 Ca 0.17 -1.29 0.03 0.00 -0.39 0.00 0.00 64.86 63.37 1yx3 h ILE 49 Cb 0.31 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 1yx3 h ILE 49 CO -0.00 0.43 0.34 0.40 -0.69 0.00 0.00 178.15 178.63 1yx3 h ILE 50 N 0.65 1.06 -0.45 -0.67 2.04 -1.05 -1.31 117.51 117.77 1yx3 h ILE 50 Ca 0.09 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.75 1yx3 h ILE 50 Cb 0.72 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1yx3 h ILE 50 CO 0.05 0.12 0.27 -1.13 0.00 0.00 0.00 178.15 177.46 1yx3 h ASN 51 N 0.67 0.43 -0.48 1.72 -1.24 -0.07 -1.32 115.58 115.30 1yx3 h ASN 51 Ca 0.23 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.28 1yx3 h ASN 51 Cb 0.02 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 1yx3 h ASN 51 CO -0.10 0.31 0.23 0.15 -1.29 0.00 0.00 177.43 176.73 1yx3 h PHE 52 N 0.54 0.42 -0.39 0.67 3.57 -0.17 0.21 116.94 121.79 1yx3 h PHE 52 Ca 0.18 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1yx3 h PHE 52 Cb 0.01 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1yx3 h PHE 52 CO -0.07 0.20 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.13 1yx3 h LEU 53 N 0.45 0.59 -0.37 0.59 3.38 -1.01 -0.90 115.31 118.04 1yx3 h LEU 53 Ca 0.21 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1yx3 h LEU 53 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1yx3 h LEU 53 CO -0.16 0.67 -0.18 0.03 0.09 0.00 0.00 178.44 178.89 1yx3 h ARG 54 N 0.59 0.78 -0.66 1.13 2.47 -0.14 0.97 114.38 119.53 1yx3 h ARG 54 Ca 0.12 -0.34 0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1yx3 h ARG 54 Cb 0.39 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 1yx3 h ARG 54 CO 0.01 0.96 0.43 0.93 0.56 0.00 0.00 179.97 182.87 1yx3 h GLU 55 N 0.58 0.85 -0.26 0.04 5.08 -0.32 0.40 114.58 120.95 1yx3 h GLU 55 Ca 0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1yx3 h GLU 55 Cb 0.73 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1yx3 h GLU 55 CO 0.05 0.56 0.03 -0.92 -1.00 0.00 0.00 179.01 177.73 1yx3 h TYR 56 N 0.88 0.47 -0.24 4.33 5.03 -0.98 -1.38 116.97 125.07 1yx3 h TYR 56 Ca 0.24 -0.07 -0.19 0.00 2.58 0.00 0.00 58.73 61.29 1yx3 h TYR 56 Cb -0.09 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.07 1yx3 h TYR 56 CO -0.03 0.57 -0.61 -0.92 -1.32 0.00 0.00 178.16 175.85 1yx3 h TYR 57 N 0.24 1.04 0.00 -3.82 3.20 -0.61 0.30 116.97 117.31 1yx3 h TYR 57 Ca 0.08 -0.39 -0.03 0.00 3.14 0.00 0.00 58.73 61.53 1yx3 h TYR 57 Cb 0.36 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 1yx3 h TYR 57 CO 0.03 1.21 -0.13 1.49 -1.64 0.00 0.00 178.16 179.12 1yx3 h GLU 58 N 0.60 0.00 0.00 1.82 4.57 -0.16 0.18 114.58 121.60 1yx3 h GLU 58 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yx3 h GLU 58 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1yx3 h GLU 58 CO 0.13 0.13 -0.65 -1.91 -1.18 0.00 0.00 179.01 175.53 1yx3 n GLU 59 N -3.52 0.46 0.08 1.92 4.07 -0.53 -4.67 120.64 118.45 1yx3 n GLU 59 Ca -0.01 0.41 0.11 0.00 -0.06 0.00 0.00 57.16 57.61 1yx3 n GLU 59 Cb 0.28 -1.56 -0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1yx3 n GLU 59 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1yx3 n TYR 60 N -4.47 0.74 -1.76 4.31 4.01 0.10 -4.94 117.16 115.16 1yx3 n TYR 60 Ca -0.09 0.22 -0.18 0.00 -0.16 0.00 0.00 57.90 57.68 1yx3 n TYR 60 Cb 0.34 -0.82 -0.06 0.00 -0.31 0.00 0.00 39.34 38.49 1yx3 n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1yx3 n GLN 61 N -2.49 -1.33 -5.20 -0.72 1.13 0.64 -4.99 117.38 104.43 1yx3 n GLN 61 Ca 0.00 1.07 -0.31 0.00 -1.94 0.00 0.00 57.00 55.83 1yx3 n GLN 61 Cb 0.53 -5.42 -0.16 0.00 0.11 0.00 0.00 30.24 25.30 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 -2.74 1.95 -0.34 5.09 1.01 -1.26 -5.01 121.20 119.90 1yx3 s ILE 62 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1yx3 s ILE 62 Cb 0.00 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1yx3 s ILE 62 CO 0.00 0.55 0.60 0.00 0.00 0.00 0.00 174.94 176.08 1yx3 s ALA 63 N -0.17 3.48 0.26 9.38 0.00 -1.26 -4.32 121.76 129.13 1yx3 s ALA 63 Ca -0.02 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1yx3 s ALA 63 Cb -0.13 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1yx3 s ALA 63 CO 0.03 -1.24 1.28 -2.14 0.00 0.00 0.00 175.76 173.69 1yx3 s PRO 64 N 2.60 4.41 0.93 0.00 0.02 -1.26 -5.00 135.00 136.70 1yx3 s PRO 64 Ca 0.23 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 1yx3 s PRO 64 Cb -0.15 -3.15 0.15 0.00 0.02 0.00 0.00 34.50 31.38 1yx3 s PRO 64 CO 0.14 -0.17 1.14 0.00 -0.33 0.00 0.00 177.00 177.78 1yx3 s ALA 65 N -0.52 1.68 0.41 -1.55 0.00 -1.26 -4.63 121.76 115.89 1yx3 s ALA 65 Ca 0.52 -0.58 0.09 0.00 0.00 0.00 0.00 51.96 52.00 1yx3 s ALA 65 Cb -0.37 -3.02 0.88 0.00 0.00 0.00 0.00 23.12 20.62 1yx3 s ALA 65 CO 0.44 -2.40 2.01 -0.24 0.00 0.00 0.00 175.76 175.57 1yx3 h VAL 66 N -1.59 1.02 0.00 0.00 3.04 -1.77 0.23 116.25 117.18 1yx3 h VAL 66 Ca -0.50 -0.19 -0.03 0.00 -1.01 0.00 0.00 66.70 64.97 1yx3 h VAL 66 Cb 1.33 0.41 -0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1yx3 h VAL 66 CO 0.59 0.10 -0.15 0.03 -1.01 0.00 0.00 177.57 177.13 1yx3 h ARG 67 N 0.56 0.00 0.02 4.17 3.08 -1.89 -3.08 114.38 117.24 1yx3 h ARG 67 Ca 0.23 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.92 1yx3 h ARG 67 Cb 0.21 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1yx3 h ARG 67 CO -0.06 0.15 -2.00 0.28 -1.07 0.00 0.00 179.97 177.27 1yx3 n VAL 68 N -3.25 1.57 0.22 2.04 0.31 0.02 -3.97 118.33 115.28 1yx3 n VAL 68 Ca 0.01 -0.34 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 1yx3 n VAL 68 Cb 0.43 -1.84 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 1yx3 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1yx3 h LEU 69 N -0.67 -0.92 -0.80 7.52 5.85 -0.74 0.73 115.31 126.28 1yx3 h LEU 69 Ca -0.52 0.08 0.11 0.00 0.84 0.00 0.00 57.88 58.40 1yx3 h LEU 69 Cb 1.62 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.88 1yx3 h LEU 69 CO -0.21 -0.48 0.43 0.74 -0.34 0.00 0.00 178.44 178.57 1yx3 h THR 70 N -0.72 0.83 0.00 1.05 2.02 -1.77 -0.61 112.91 113.71 1yx3 h THR 70 Ca -0.02 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.76 1yx3 h THR 70 Cb 0.64 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1yx3 h THR 70 CO -0.06 0.12 -0.79 0.50 0.37 0.00 0.00 175.52 175.67 1yx3 h LYS 71 N 0.68 0.00 -0.05 6.66 3.64 -1.63 -3.11 116.57 122.76 1yx3 h LYS 71 Ca 0.41 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.63 1yx3 h LYS 71 Cb 0.47 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1yx3 h LYS 71 CO -0.30 0.79 -0.68 0.00 -2.27 0.00 0.00 179.45 176.99 1yx3 h ALA 72 N 1.21 0.76 -0.21 5.00 0.00 0.21 -2.95 119.26 123.28 1yx3 h ALA 72 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 54.91 54.36 1yx3 h ALA 72 Cb 1.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1yx3 h ALA 72 CO 0.10 0.78 0.15 0.28 0.00 0.00 0.00 179.25 180.56 1yx3 h VAL 73 N 0.16 0.93 0.00 0.00 2.07 -1.08 -0.85 116.25 117.47 1yx3 h VAL 73 Ca -0.02 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1yx3 h VAL 73 Cb 1.21 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1yx3 h VAL 73 CO 0.10 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.32 1yx3 n GLY 74 N -1.56 -1.04 0.00 2.17 0.00 -1.11 -0.50 105.19 103.15 1yx3 n GLY 74 Ca 0.02 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1yx3 n GLY 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yx3 n LYS 75 N -2.22 0.56 -0.01 1.61 5.02 -0.33 -2.39 118.16 120.40 1yx3 n LYS 75 Ca 0.00 -0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.19 1yx3 n LYS 75 Cb 0.12 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1yx3 n LYS 75 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yx3 n LYS 76 N -1.84 3.43 -0.01 1.97 0.00 -0.81 -4.84 118.16 116.06 1yx3 n LYS 76 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1yx3 n LYS 76 Cb 0.42 -1.06 -0.01 0.00 0.00 0.00 0.00 35.03 34.38 1yx3 n LYS 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1yx3 n LEU 77 N -2.11 0.00 0.00 3.14 7.94 0.34 -5.07 117.00 121.24 1yx3 n LEU 77 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 1yx3 n LEU 77 Cb 0.57 0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1yx3 n LEU 77 CO 0.04 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 1yx3 n GLY 78 N 2.82 1.76 0.28 -3.96 0.00 -1.07 -4.93 105.19 100.08 1yx3 n GLY 78 Ca -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yx3 h LYS 79 N 0.00 0.77 -0.26 1.61 1.57 -1.76 -2.50 116.57 116.00 1yx3 h LYS 79 Ca 0.00 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1yx3 h LYS 79 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1yx3 h LYS 79 CO 0.00 0.78 0.00 0.39 -0.57 0.00 0.00 179.45 180.05 1yx3 n GLU 80 N -4.22 2.03 0.00 3.15 4.71 -1.26 -4.78 120.64 120.27 1yx3 n GLU 80 Ca 0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1yx3 n GLU 80 Cb 0.30 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1yx3 n GLU 80 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1yx3 n LYS 81 N 0.84 0.00 -1.14 3.49 4.81 -0.95 -4.52 118.16 120.69 1yx3 n LYS 81 Ca 0.12 0.20 -0.18 0.00 -0.87 0.00 0.00 58.31 57.58 1yx3 n LYS 81 Cb 0.43 -0.64 -0.06 0.00 0.02 0.00 0.00 35.03 34.78 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 1.99 3.80 0.10 3.14 0.00 -1.20 -4.26 105.19 108.76 1yx3 n GLY 82 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.68 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 2.46 0.00 0.00 1.61 2.35 -1.80 -3.42 115.58 116.78 1yx3 h ASN 83 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1yx3 h ASN 83 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1yx3 h ASN 83 CO 0.61 0.42 0.00 -0.24 -1.65 0.00 0.00 177.43 176.57 1yx3 n SER 84 N -2.86 0.00 -0.30 5.81 2.88 -1.26 -4.94 113.62 112.95 1yx3 n SER 84 Ca -0.06 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.60 1yx3 n SER 84 Cb 0.76 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 64.57 1yx3 n SER 84 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1yx3 h LYS 85 N 0.00 0.71 -0.02 -1.46 3.64 -1.93 -1.98 116.57 115.53 1yx3 h LYS 85 Ca 0.00 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1yx3 h LYS 85 Cb 0.00 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1yx3 h LYS 85 CO 0.00 0.47 -0.35 -0.92 -2.27 0.00 0.00 179.45 176.38 1yx3 h TYR 86 N 0.73 -0.97 0.01 1.91 3.20 -1.93 0.30 116.97 120.22 1yx3 h TYR 86 Ca 0.48 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 62.20 1yx3 h TYR 86 Cb 0.75 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 39.43 1yx3 h TYR 86 CO -0.00 -0.44 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.14 1yx3 h LEU 87 N -0.50 0.11 -0.88 2.82 3.38 -1.70 -2.24 115.31 116.30 1yx3 h LEU 87 Ca 0.06 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1yx3 h LEU 87 Cb 0.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1yx3 h LEU 87 CO -0.29 0.92 -0.22 1.88 0.09 0.00 0.00 178.44 180.82 1yx3 h TYR 88 N 0.04 0.00 0.00 1.13 0.05 -1.18 0.13 116.97 117.14 1yx3 h TYR 88 Ca -0.03 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.54 1yx3 h TYR 88 Cb 1.51 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.21 1yx3 h TYR 88 CO 0.01 0.22 -1.22 1.03 -1.05 0.00 0.00 178.16 177.15 1yx3 h SER 89 N 0.00 0.00 -0.07 3.88 0.87 -0.83 -3.23 113.55 114.17 1yx3 h SER 89 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1yx3 h SER 89 Cb 0.84 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1yx3 h SER 89 CO 0.03 0.88 -0.09 -0.07 -0.53 0.00 0.00 176.83 177.06 1yx3 h LEU 90 N 0.00 0.19 -7.25 2.23 3.38 -0.95 -3.41 115.31 109.51 1yx3 h LEU 90 Ca -0.12 -0.52 -0.61 0.00 0.09 0.00 0.00 57.88 56.72 1yx3 h LEU 90 Cb 1.78 -0.05 -0.40 0.00 0.09 0.00 0.00 40.66 42.07 1yx3 h LEU 90 CO 0.09 0.67 -0.73 -0.36 0.09 0.00 0.00 178.44 178.20 1yx3 s PHE 91 N -4.15 2.38 -0.94 1.13 0.08 -0.01 -4.98 117.98 111.49 1yx3 s PHE 91 Ca -0.15 -2.34 0.14 0.00 0.12 0.00 0.00 56.93 54.70 1yx3 s PHE 91 Cb 0.03 -2.13 0.61 0.00 -0.57 0.00 0.00 43.02 40.96 1yx3 s PHE 91 CO 0.72 -0.86 1.46 -2.30 -0.10 0.00 0.00 175.22 174.14 1yx3 n PRO 92 N 4.20 0.02 -0.26 0.24 -0.02 -1.22 -1.43 135.00 136.52 1yx3 n PRO 92 Ca 0.03 0.29 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1yx3 n PRO 92 Cb 0.39 -1.54 0.25 0.00 -0.02 0.00 0.00 33.50 32.58 1yx3 n PRO 92 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1yx3 n TYR 93 N -1.59 0.70 0.00 6.00 4.01 -1.26 -5.01 117.16 120.01 1yx3 n TYR 93 Ca 0.03 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1yx3 n TYR 93 Cb 0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx3 n GLY 94 N 1.44 2.30 0.40 2.72 0.00 -0.52 -4.74 105.19 106.80 1yx3 n GLY 94 Ca 0.21 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.01 1yx3 n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yx3 h PRO 95 N 0.00 -0.51 -0.48 1.61 0.13 -1.78 -1.76 132.00 129.21 1yx3 h PRO 95 Ca 0.00 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1yx3 h PRO 95 Cb 0.00 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.22 1yx3 h PRO 95 CO 0.00 -0.34 0.29 0.00 -0.23 0.00 0.00 178.00 177.72 1yx3 h ALA 96 N 0.05 1.62 0.48 -0.56 0.00 -1.93 -1.01 119.26 117.90 1yx3 h ALA 96 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yx3 h ALA 96 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yx3 h ALA 96 CO -0.35 0.34 -0.23 -0.22 0.00 0.00 0.00 179.25 178.79 1yx3 h LYS 97 N 0.65 -0.62 -0.24 0.00 3.64 -1.69 -2.67 116.57 115.64 1yx3 h LYS 97 Ca 0.17 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.44 1yx3 h LYS 97 Cb -0.03 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1yx3 h LYS 97 CO -0.03 -0.33 -0.48 1.96 -2.27 0.00 0.00 179.45 178.30 1yx3 h GLN 98 N -1.07 0.65 -0.26 1.90 1.08 -1.31 -2.63 115.11 113.47 1yx3 h GLN 98 Ca -0.07 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1yx3 h GLN 98 Cb 0.57 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1yx3 h GLN 98 CO 0.11 0.98 0.11 0.00 -0.95 0.00 0.00 178.83 179.08 1yx3 h ALA 99 N 0.95 0.34 -0.12 3.87 0.00 -1.27 -2.23 119.26 120.81 1yx3 h ALA 99 Ca 0.03 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1yx3 h ALA 99 Cb 1.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1yx3 h ALA 99 CO 0.10 -0.08 -0.37 0.00 0.00 0.00 0.00 179.25 178.90 1yx3 h ARG 101 N 0.22 0.95 0.14 0.00 2.43 -1.09 0.36 114.38 117.39 1yx3 h ARG 101 Ca 0.02 -0.06 -0.31 0.00 -0.81 0.00 0.00 59.98 58.82 1yx3 h ARG 101 Cb 0.77 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1yx3 h ARG 101 CO 0.06 0.63 -1.55 0.74 -1.51 0.00 0.00 179.97 178.34 1yx3 h PHE 102 N 0.98 0.52 0.00 2.20 0.04 -0.88 -3.31 116.94 116.49 1yx3 h PHE 102 Ca 0.41 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1yx3 h PHE 102 Cb 0.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1yx3 h PHE 102 CO -0.03 1.43 0.00 0.00 -0.60 0.00 0.00 178.31 179.11 1yx3 n ALA 103 N -2.69 2.17 -2.44 2.45 0.00 0.62 -3.93 120.51 116.69 1yx3 n ALA 103 Ca -0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.08 1yx3 n ALA 103 Cb 1.05 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 19.18 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 0.52 -0.13 3.34 0.00 0.00 -0.33 -4.94 105.19 103.65 1yx3 n GLY 104 Ca 0.12 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.23 2.43 0.60 0.99 1.43 -0.03 -4.93 118.68 114.94 1yx3 s LEU 105 Ca 0.21 -0.85 -0.19 0.00 -1.03 0.00 0.00 54.13 52.27 1yx3 s LEU 105 Cb -0.03 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.31 1yx3 s LEU 105 CO 0.38 -0.02 1.23 -2.16 0.23 0.00 0.00 176.35 176.02 1yx3 s PRO 106 N -2.73 2.90 -0.29 1.29 0.04 -1.26 -4.61 135.00 130.35 1yx3 s PRO 106 Ca 0.15 1.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1yx3 s PRO 106 Cb -0.06 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1yx3 s PRO 106 CO 0.07 -1.28 2.14 0.21 0.04 0.00 0.00 177.00 178.18 1yx3 s LYS 107 N -3.31 3.03 -0.12 4.56 2.20 -1.26 -4.86 119.74 119.98 1yx3 s LYS 107 Ca 0.78 1.78 -0.08 0.00 -0.36 0.00 0.00 55.97 58.09 1yx3 s LYS 107 Cb -0.32 -4.36 -0.03 0.00 -1.51 0.00 0.00 37.83 31.60 1yx3 s LYS 107 CO 0.35 -2.22 -0.16 -0.35 -0.36 0.00 0.00 175.35 172.61 1yx3 n PRO 108 N 8.74 0.37 0.00 4.03 -0.04 -1.26 -4.96 135.00 141.88 1yx3 n PRO 108 Ca 0.29 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1yx3 n PRO 108 Cb 0.47 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 1yx3 n PRO 108 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1yx3 n THR 109 N -4.17 0.00 -1.74 0.52 -1.04 -1.26 -4.68 114.28 101.92 1yx3 n THR 109 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1yx3 n THR 109 Cb 0.24 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.71 1yx3 n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx3 n GLY 110 N 0.00 0.83 3.23 3.41 0.00 -1.26 -3.31 105.19 108.09 1yx3 n GLY 110 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32