#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 3.36 0.34 -5.12 0.00 -1.26 -4.48 121.76 114.60 1yx3 s ALA 2 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1yx3 s ALA 2 Cb 0.00 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1yx3 s ALA 2 CO 0.00 0.30 0.11 -3.47 0.00 0.00 0.00 175.76 172.70 1yx3 n ASP 3 N 0.48 2.61 -3.79 0.00 2.03 -1.14 -4.93 116.55 111.82 1yx3 n ASP 3 Ca -0.00 -2.37 -0.23 0.00 0.52 0.00 0.00 54.79 52.70 1yx3 n ASP 3 Cb 0.51 0.13 -0.17 0.00 -0.72 0.00 0.00 41.12 40.87 1yx3 n ASP 3 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1yx3 s THR 4 N -2.03 0.47 0.00 5.18 -4.23 -1.26 -0.39 115.64 113.39 1yx3 s THR 4 Ca 0.08 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 60.46 1yx3 s THR 4 Cb -0.01 -0.61 -0.06 0.00 1.34 0.00 0.00 72.50 73.17 1yx3 s THR 4 CO 0.05 0.28 0.55 0.27 -0.54 0.00 0.00 174.62 175.23 1yx3 s ILE 5 N 1.91 4.91 -0.47 2.99 -4.36 0.07 -4.78 121.20 121.47 1yx3 s ILE 5 Ca 0.05 1.15 -0.18 0.00 -0.26 0.00 0.00 60.65 61.41 1yx3 s ILE 5 Cb -0.12 -3.88 0.05 0.00 1.25 0.00 0.00 42.46 39.76 1yx3 s ILE 5 CO -0.06 0.46 0.50 -0.70 0.24 0.00 0.00 174.94 175.39 1yx3 s GLU 6 N -0.45 3.07 -0.20 0.37 2.12 -1.26 -0.49 118.70 121.87 1yx3 s GLU 6 Ca 0.29 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1yx3 s GLU 6 Cb -0.18 -4.07 0.02 0.00 0.26 0.00 0.00 34.13 30.16 1yx3 s GLU 6 CO 0.16 -1.06 -0.16 0.08 -0.54 0.00 0.00 175.26 173.75 1yx3 s VAL 7 N 2.20 2.33 0.00 3.70 1.01 0.17 -4.90 120.40 124.91 1yx3 s VAL 7 Ca 0.11 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1yx3 s VAL 7 Cb -0.20 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1yx3 s VAL 7 CO 0.11 0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.97 1yx3 n ASP 8 N 4.63 0.00 -0.31 3.32 2.03 -1.26 -1.01 116.55 123.95 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 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 0.78 3.45 0.27 0.00 -1.26 -5.12 105.19 103.31 1yx3 n GLY 9 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.17 -0.41 1.61 -0.14 -0.18 -5.10 119.74 117.69 1yx3 s LYS 10 Ca 0.00 -0.92 -0.08 0.00 -1.36 0.00 0.00 55.97 53.61 1yx3 s LYS 10 Cb 0.00 -2.22 0.07 0.00 -1.68 0.00 0.00 37.83 34.01 1yx3 s LYS 10 CO 0.00 0.56 0.23 -0.65 -0.76 0.00 0.00 175.35 174.73 1yx3 s GLN 11 N -1.22 2.57 -0.20 1.68 -0.21 -1.26 -0.65 119.66 120.37 1yx3 s GLN 11 Ca 0.14 -1.43 -0.19 0.00 0.02 0.00 0.00 55.36 53.89 1yx3 s GLN 11 Cb -0.10 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 30.15 1yx3 s GLN 11 CO 0.04 -0.91 0.54 -0.06 -2.12 0.00 0.00 175.29 172.78 1yx3 s PHE 12 N 1.41 3.36 0.13 0.91 0.08 0.36 -4.79 117.98 119.44 1yx3 s PHE 12 Ca 0.03 0.80 -0.31 0.00 0.12 0.00 0.00 56.93 57.56 1yx3 s PHE 12 Cb -0.22 -2.70 -0.09 0.00 -0.57 0.00 0.00 43.02 39.43 1yx3 s PHE 12 CO 0.02 -0.13 1.62 0.00 -0.10 0.00 0.00 175.22 176.62 1yx3 s ALA 13 N 1.75 3.74 0.20 5.36 0.00 -1.26 -0.75 121.76 130.81 1yx3 s ALA 13 Ca 0.25 1.32 0.09 0.00 0.00 0.00 0.00 51.96 53.61 1yx3 s ALA 13 Cb -0.16 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1yx3 s ALA 13 CO 0.10 -0.93 -0.17 0.14 0.00 0.00 0.00 175.76 174.90 1yx3 s VAL 14 N 1.82 1.88 0.60 0.00 -7.23 0.48 -1.79 120.40 116.17 1yx3 s VAL 14 Ca 0.72 -2.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.57 1yx3 s VAL 14 Cb -0.42 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1yx3 s VAL 14 CO 0.32 -0.47 1.17 -0.62 -0.31 0.00 0.00 175.10 175.19 1yx3 s ASP 15 N -3.12 5.25 0.46 4.85 -1.08 0.15 -2.86 116.67 120.31 1yx3 s ASP 15 Ca 0.21 2.27 0.31 0.00 -0.52 0.00 0.00 52.55 54.82 1yx3 s ASP 15 Cb -0.03 -2.59 1.53 0.00 -1.46 0.00 0.00 42.92 40.37 1yx3 s ASP 15 CO 0.08 -1.54 1.95 -0.08 0.52 0.00 0.00 175.17 176.09 1yx3 h GLU 16 N 0.75 0.00 0.00 4.34 4.81 -1.90 -0.02 114.58 122.57 1yx3 h GLU 16 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1yx3 h GLU 16 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1yx3 h GLU 16 CO 0.55 0.00 -1.46 -1.91 -0.73 0.00 0.00 179.01 175.46 1yx3 n GLU 17 N -2.67 0.53 0.00 1.92 2.13 -1.26 -4.99 120.64 116.29 1yx3 n GLU 17 Ca -0.01 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.76 1yx3 n GLU 17 Cb 0.15 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 30.24 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx3 n GLY 18 N 1.27 0.60 3.04 8.31 0.00 -0.02 -5.14 105.19 113.25 1yx3 n GLY 18 Ca -0.01 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.52 0.49 -0.22 1.61 1.51 -1.24 -4.74 117.35 114.24 1yx3 s TYR 19 Ca 0.00 -0.63 -0.25 0.00 -1.01 0.00 0.00 57.07 55.18 1yx3 s TYR 19 Cb 0.00 -0.32 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1yx3 s TYR 19 CO 0.00 -0.18 0.85 -1.17 -1.11 0.00 0.00 175.55 173.94 1yx3 s LEU 20 N -1.85 4.11 -0.02 -1.29 2.96 -1.22 0.29 118.68 121.66 1yx3 s LEU 20 Ca -0.08 1.11 0.13 0.00 -0.22 0.00 0.00 54.13 55.08 1yx3 s LEU 20 Cb -0.06 -3.24 0.42 0.00 0.50 0.00 0.00 46.19 43.81 1yx3 s LEU 20 CO -0.02 -0.49 1.33 -1.20 -1.32 0.00 0.00 176.35 174.64 1yx3 n SER 21 N 5.79 2.63 -3.60 3.68 7.64 -0.74 -4.56 113.62 124.46 1yx3 n SER 21 Ca 0.06 -2.07 -0.29 0.00 1.01 0.00 0.00 58.87 57.58 1yx3 n SER 21 Cb 0.48 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.21 1yx3 n SER 21 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1yx3 s ASN 22 N -0.94 3.37 -0.04 6.43 3.84 -1.26 -4.96 114.94 121.38 1yx3 s ASN 22 Ca 0.31 -2.38 0.08 0.00 0.21 0.00 0.00 52.86 51.08 1yx3 s ASN 22 Cb 0.17 -0.74 0.29 0.00 -0.55 0.00 0.00 41.25 40.42 1yx3 s ASN 22 CO 0.20 -0.29 1.14 0.18 -2.79 0.00 0.00 177.10 175.53 1yx3 n LEU 23 N 3.83 2.11 -0.01 3.21 4.77 -1.26 -3.97 117.00 125.67 1yx3 n LEU 23 Ca 0.09 -1.06 -0.16 0.00 -0.03 0.00 0.00 56.01 54.85 1yx3 n LEU 23 Cb 0.36 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1yx3 n LEU 23 CO 0.19 0.40 0.33 -1.13 -1.33 0.00 0.00 177.39 175.86 1yx3 h ASN 24 N 1.71 0.34 0.00 -1.43 -0.73 -1.98 -3.44 115.58 110.05 1yx3 h ASN 24 Ca 0.00 -0.78 0.00 0.00 1.87 0.00 0.00 56.30 57.39 1yx3 h ASN 24 Cb 0.67 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1yx3 h ASN 24 CO 0.08 1.08 0.00 -0.67 -0.37 0.00 0.00 177.43 177.54 1yx3 n ASP 25 N -4.39 0.00 -2.38 1.15 2.03 -1.25 -5.10 116.55 106.61 1yx3 n ASP 25 Ca -0.10 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.17 1yx3 n ASP 25 Cb 0.58 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 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 0.00 -4.08 -4.19 -0.67 -0.00 -1.26 -5.07 117.44 102.17 1yx3 n TRP 26 Ca 0.00 2.40 -0.22 0.00 -0.00 0.00 0.00 57.50 59.67 1yx3 n TRP 26 Cb 0.00 -3.65 -0.06 0.00 -0.00 0.00 0.00 31.31 27.60 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 -0.57 4.05 0.45 5.87 -7.23 -1.26 -5.02 120.40 116.69 1yx3 s VAL 27 Ca -0.18 -1.59 0.24 0.00 -1.81 0.00 0.00 61.98 58.63 1yx3 s VAL 27 Cb 0.01 -3.17 0.43 0.00 0.56 0.00 0.00 36.38 34.21 1yx3 s VAL 27 CO 0.50 -0.35 1.81 -0.65 -0.31 0.00 0.00 175.10 176.10 1yx3 h PRO 28 N 1.69 0.26 -0.19 4.82 0.11 -1.99 0.14 132.00 136.84 1yx3 h PRO 28 Ca -0.47 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.68 1yx3 h PRO 28 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1yx3 h PRO 28 CO 0.61 0.17 0.17 0.78 -0.21 0.00 0.00 178.00 179.51 1yx3 h GLY 29 N 0.27 0.00 0.97 -0.55 0.00 -1.99 -0.20 103.07 101.57 1yx3 h GLY 29 Ca 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 1yx3 h GLY 29 CO -0.18 0.00 0.05 -2.08 0.00 0.00 0.00 176.54 174.33 1yx3 h VAL 30 N 0.00 1.25 -0.24 4.60 2.07 -1.09 -1.89 116.25 120.95 1yx3 h VAL 30 Ca 0.09 -0.96 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 1yx3 h VAL 30 Cb 0.43 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1yx3 h VAL 30 CO -0.00 0.34 -0.36 0.00 0.02 0.00 0.00 177.57 177.57 1yx3 h ALA 31 N 0.94 0.93 0.41 1.67 0.00 -1.17 -0.79 119.26 121.25 1yx3 h ALA 31 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1yx3 h ALA 31 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yx3 h ALA 31 CO 0.01 0.62 -0.38 -0.44 0.00 0.00 0.00 179.25 179.07 1yx3 h ASP 32 N 0.45 -1.01 -0.61 0.00 3.32 -1.02 0.21 116.42 117.76 1yx3 h ASP 32 Ca 0.05 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1yx3 h ASP 32 Cb 0.83 0.33 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1yx3 h ASP 32 CO 0.07 -0.53 0.30 0.58 -1.72 0.00 0.00 179.24 177.94 1yx3 h VAL 33 N -0.80 1.21 -0.04 -1.35 2.07 -1.27 -0.92 116.25 115.16 1yx3 h VAL 33 Ca -0.04 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1yx3 h VAL 33 Cb 0.70 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1yx3 h VAL 33 CO -0.04 0.25 -0.01 -0.03 0.02 0.00 0.00 177.57 177.76 1yx3 h MET 34 N 0.90 0.08 -0.18 1.57 1.85 -0.89 -2.91 114.93 115.35 1yx3 h MET 34 Ca 0.22 -0.03 -0.06 0.00 -0.61 0.00 0.00 59.70 59.22 1yx3 h MET 34 Cb 0.11 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1yx3 h MET 34 CO -0.03 0.41 -0.14 0.00 -0.40 0.00 0.00 176.91 176.75 1yx3 h ALA 35 N 0.67 1.43 -0.58 0.39 0.00 -0.37 -1.92 119.26 118.88 1yx3 h ALA 35 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1yx3 h ALA 35 Cb 0.37 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1yx3 h ALA 35 CO 0.00 0.40 0.38 -0.22 0.00 0.00 0.00 179.25 179.82 1yx3 h LYS 36 N 0.28 0.74 -0.46 0.00 3.64 -1.06 0.16 116.57 119.87 1yx3 h LYS 36 Ca 0.05 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1yx3 h LYS 36 Cb 0.42 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1yx3 h LYS 36 CO 0.03 0.49 -0.05 1.96 -2.27 0.00 0.00 179.45 179.60 1yx3 h GLN 37 N 0.76 0.84 -0.00 1.90 1.08 -1.15 -2.29 115.11 116.25 1yx3 h GLN 37 Ca 0.22 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1yx3 h GLN 37 Cb -0.05 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1yx3 h GLN 37 CO -0.05 0.92 -0.06 -0.25 -0.95 0.00 0.00 178.83 178.44 1yx3 n ASP 38 N -4.32 0.28 -1.82 1.46 9.92 -0.92 -4.90 116.55 116.25 1yx3 n ASP 38 Ca 0.00 -0.47 -0.17 0.00 -0.53 0.00 0.00 54.79 53.62 1yx3 n ASP 38 Cb 0.34 -0.14 -0.02 0.00 -0.64 0.00 0.00 41.12 40.66 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 -1.06 -5.05 -4.87 -2.24 5.03 0.43 -4.98 115.26 102.51 1yx3 n ASN 39 Ca 0.15 0.08 -0.37 0.00 0.87 0.00 0.00 54.58 55.31 1yx3 n ASN 39 Cb 0.25 -4.13 -0.06 0.00 -1.02 0.00 0.00 39.78 34.82 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1yx3 s LEU 40 N -4.71 4.39 -0.02 3.41 2.96 -0.42 -5.00 118.68 119.29 1yx3 s LEU 40 Ca 0.00 0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 54.15 1yx3 s LEU 40 Cb 0.00 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 1yx3 s LEU 40 CO 0.00 0.39 0.88 -1.61 -1.32 0.00 0.00 176.35 174.69 1yx3 s GLU 41 N -0.96 4.52 -0.71 1.98 0.41 -1.26 -4.50 118.70 118.17 1yx3 s GLU 41 Ca 0.16 1.23 -0.15 0.00 -0.41 0.00 0.00 54.97 55.80 1yx3 s GLU 41 Cb -0.12 -3.45 0.18 0.00 -1.78 0.00 0.00 34.13 28.96 1yx3 s GLU 41 CO 0.05 0.01 0.67 -0.51 -0.49 0.00 0.00 175.26 174.99 1yx3 s LEU 42 N 0.87 6.49 0.00 1.80 1.43 -1.26 -4.91 118.68 123.10 1yx3 s LEU 42 Ca 0.47 -2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 51.25 1yx3 s LEU 42 Cb -0.20 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.83 1yx3 s LEU 42 CO 0.25 -0.70 0.19 0.41 0.23 0.00 0.00 176.35 176.72 1yx3 n THR 43 N 4.51 0.00 -0.09 5.49 -1.04 -1.26 -4.74 114.28 117.16 1yx3 n THR 43 Ca 0.03 -0.29 -0.07 0.00 -2.04 0.00 0.00 64.05 61.68 1yx3 n THR 43 Cb 0.44 -1.30 -0.01 0.00 -1.82 0.00 0.00 70.33 67.64 1yx3 n THR 43 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1yx3 h GLU 44 N 0.00 -0.21 -0.40 -2.82 3.07 -1.99 0.12 114.58 112.34 1yx3 h GLU 44 Ca -0.06 0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.69 1yx3 h GLU 44 Cb 0.23 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1yx3 h GLU 44 CO 0.07 -0.14 -0.25 0.93 -1.40 0.00 0.00 179.01 178.22 1yx3 h GLU 45 N -0.22 0.88 -0.68 2.33 5.08 -1.99 -2.17 114.58 117.81 1yx3 h GLU 45 Ca 0.17 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1yx3 h GLU 45 Cb 0.48 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1yx3 h GLU 45 CO -0.46 1.05 0.43 0.45 -1.00 0.00 0.00 179.01 179.48 1yx3 h HIS 46 N 0.70 0.81 -0.76 4.33 3.86 -1.77 -1.72 115.15 120.59 1yx3 h HIS 46 Ca 0.08 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1yx3 h HIS 46 Cb 0.82 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 1yx3 h HIS 46 CO 0.06 0.47 0.31 -1.49 0.86 0.00 0.00 177.93 178.14 1yx3 h TRP 47 N 0.85 1.15 0.00 2.45 4.06 -0.57 -2.32 115.95 121.57 1yx3 h TRP 47 Ca 0.27 -0.08 -0.07 0.00 2.06 0.00 0.00 58.89 61.06 1yx3 h TRP 47 Cb -0.01 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.79 1yx3 h TRP 47 CO -0.04 0.87 -0.34 0.22 -3.56 0.00 0.00 178.44 175.59 1yx3 h ASP 48 N 1.09 0.00 -0.25 -3.49 3.58 -0.95 0.40 116.42 116.81 1yx3 h ASP 48 Ca 0.25 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.64 1yx3 h ASP 48 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1yx3 h ASP 48 CO -0.02 0.34 -0.10 0.40 -2.88 0.00 0.00 179.24 176.98 1yx3 h ILE 49 N 0.00 1.30 -0.44 2.25 1.08 -1.04 0.37 117.51 121.03 1yx3 h ILE 49 Ca -0.00 -1.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.28 1yx3 h ILE 49 Cb 0.92 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.19 1yx3 h ILE 49 CO 0.04 0.36 0.20 0.40 -0.69 0.00 0.00 178.15 178.46 1yx3 h ILE 50 N 0.24 1.19 -0.47 -0.67 1.08 -1.04 -1.93 117.51 115.91 1yx3 h ILE 50 Ca 0.06 -0.57 0.07 0.00 -0.39 0.00 0.00 64.86 64.03 1yx3 h ILE 50 Cb 0.60 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 1yx3 h ILE 50 CO 0.03 0.21 0.14 -1.13 -0.69 0.00 0.00 178.15 176.72 1yx3 h ASN 51 N 0.57 0.12 -0.60 1.72 -1.24 -0.11 -1.67 115.58 114.37 1yx3 h ASN 51 Ca 0.15 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 1yx3 h ASN 51 Cb 0.15 0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 1yx3 h ASN 51 CO -0.02 0.10 0.36 0.15 -1.29 0.00 0.00 177.43 176.73 1yx3 h PHE 52 N 0.30 0.79 -0.81 0.67 3.57 0.12 0.15 116.94 121.73 1yx3 h PHE 52 Ca 0.22 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1yx3 h PHE 52 Cb 0.25 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1yx3 h PHE 52 CO -0.18 0.54 0.43 -0.07 -2.23 0.00 0.00 178.31 176.80 1yx3 h LEU 53 N 0.81 1.01 -0.08 0.59 3.38 -1.04 0.40 115.31 120.38 1yx3 h LEU 53 Ca 0.22 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1yx3 h LEU 53 Cb -0.02 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1yx3 h LEU 53 CO -0.04 0.82 0.05 -0.09 0.09 0.00 0.00 178.44 179.27 1yx3 h ARG 54 N 1.13 0.11 -0.15 1.13 9.65 -0.42 0.18 114.38 126.01 1yx3 h ARG 54 Ca 0.28 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1yx3 h ARG 54 Cb 0.04 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1yx3 h ARG 54 CO -0.04 0.11 0.08 0.93 2.80 0.00 0.00 179.97 183.85 1yx3 h GLU 55 N 0.08 0.20 -0.64 0.20 5.08 -0.18 -2.09 114.58 117.24 1yx3 h GLU 55 Ca 0.03 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1yx3 h GLU 55 Cb 0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1yx3 h GLU 55 CO -0.01 0.21 0.23 -0.92 -1.00 0.00 0.00 179.01 177.52 1yx3 h TYR 56 N 0.14 1.00 -0.34 4.33 3.20 -0.12 -1.92 116.97 123.27 1yx3 h TYR 56 Ca 0.05 -0.09 -0.15 0.00 3.14 0.00 0.00 58.73 61.68 1yx3 h TYR 56 Cb 0.06 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1yx3 h TYR 56 CO -0.04 0.80 -0.40 -0.92 -1.64 0.00 0.00 178.16 175.96 1yx3 h TYR 57 N 0.91 1.00 -0.44 -3.82 3.20 -0.90 0.20 116.97 117.13 1yx3 h TYR 57 Ca 0.21 -0.30 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 1yx3 h TYR 57 Cb 0.25 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1yx3 h TYR 57 CO 0.02 1.09 -0.07 0.93 -1.64 0.00 0.00 178.16 178.49 1yx3 h GLU 58 N 0.68 0.82 0.06 1.82 5.08 -1.17 0.95 114.58 122.82 1yx3 h GLU 58 Ca 0.05 -0.29 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1yx3 h GLU 58 Cb 0.97 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1yx3 h GLU 58 CO 0.09 0.91 -0.96 0.93 -1.00 0.00 0.00 179.01 178.99 1yx3 h GLU 59 N 0.65 0.14 0.00 2.33 5.08 -1.33 -3.38 114.58 118.07 1yx3 h GLU 59 Ca 0.12 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1yx3 h GLU 59 Cb 0.59 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1yx3 h GLU 59 CO 0.04 1.11 -1.07 0.66 -1.00 0.00 0.00 179.01 178.75 1yx3 n TYR 60 N -4.23 0.46 -1.84 4.33 4.02 0.70 -4.95 117.16 115.65 1yx3 n TYR 60 Ca -0.22 0.13 -0.18 0.00 -0.01 0.00 0.00 57.90 57.63 1yx3 n TYR 60 Cb 0.74 -0.61 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 1yx3 n TYR 60 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1yx3 n GLN 61 N -2.20 -1.30 -3.95 -0.72 -0.06 0.33 -4.97 117.38 104.51 1yx3 n GLN 61 Ca 0.01 1.02 -0.11 0.00 -2.00 0.00 0.00 57.00 55.92 1yx3 n GLN 61 Cb 0.48 -5.36 -0.13 0.00 -4.06 0.00 0.00 30.24 21.17 1yx3 n GLN 61 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1yx3 s ILE 62 N -2.75 0.11 -0.20 1.69 2.07 -1.26 -5.03 121.20 115.84 1yx3 s ILE 62 Ca 0.00 -0.47 -0.15 0.00 -1.41 0.00 0.00 60.65 58.62 1yx3 s ILE 62 Cb 0.00 -0.18 -0.04 0.00 0.13 0.00 0.00 42.46 42.37 1yx3 s ILE 62 CO 0.00 -0.23 0.35 0.00 -1.91 0.00 0.00 174.94 173.15 1yx3 s ALA 63 N -0.72 3.57 0.46 1.50 0.00 -1.26 -4.20 121.76 121.11 1yx3 s ALA 63 Ca -0.07 -0.57 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 1yx3 s ALA 63 Cb -0.05 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.42 1yx3 s ALA 63 CO -0.00 -0.25 1.04 -1.25 0.00 0.00 0.00 175.76 175.30 1yx3 s PRO 64 N 1.19 3.90 1.07 0.00 0.04 -1.26 -4.87 135.00 135.07 1yx3 s PRO 64 Ca 0.17 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 1yx3 s PRO 64 Cb -0.14 -2.20 0.24 0.00 0.04 0.00 0.00 34.50 32.43 1yx3 s PRO 64 CO 0.07 -0.35 1.24 0.00 0.04 0.00 0.00 177.00 178.00 1yx3 s ALA 65 N -1.91 1.55 0.19 8.56 0.00 -1.26 -4.66 121.76 124.23 1yx3 s ALA 65 Ca 0.65 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 51.37 1yx3 s ALA 65 Cb -0.17 -2.81 0.10 0.00 0.00 0.00 0.00 23.12 20.23 1yx3 s ALA 65 CO 0.21 -2.94 1.85 -0.24 0.00 0.00 0.00 175.76 174.65 1yx3 h VAL 66 N -2.05 1.16 0.03 0.00 3.04 -1.97 0.23 116.25 116.68 1yx3 h VAL 66 Ca -0.44 -0.30 -0.24 0.00 -1.01 0.00 0.00 66.70 64.71 1yx3 h VAL 66 Cb 1.26 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.77 1yx3 h VAL 66 CO 0.35 0.16 -1.16 -0.09 -1.01 0.00 0.00 177.57 175.82 1yx3 h ARG 67 N 0.83 0.06 -0.61 4.17 2.43 -1.99 -2.99 114.38 116.28 1yx3 h ARG 67 Ca 0.22 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1yx3 h ARG 67 Cb -0.09 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1yx3 h ARG 67 CO -0.05 0.98 0.04 0.28 -1.51 0.00 0.00 179.97 179.71 1yx3 h VAL 68 N 0.02 1.26 0.02 0.20 2.07 -1.80 0.83 116.25 118.85 1yx3 h VAL 68 Ca -0.08 -1.09 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1yx3 h VAL 68 Cb 1.85 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1yx3 h VAL 68 CO 0.14 0.40 -0.01 0.25 0.02 0.00 0.00 177.57 178.36 1yx3 h LEU 69 N 0.95 -0.03 -0.78 2.57 5.85 -0.60 -1.25 115.31 122.02 1yx3 h LEU 69 Ca 0.18 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1yx3 h LEU 69 Cb 0.50 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1yx3 h LEU 69 CO 0.02 0.04 0.45 0.74 -0.34 0.00 0.00 178.44 179.35 1yx3 h THR 70 N -0.09 0.96 -0.45 1.05 2.02 -1.33 0.14 112.91 115.20 1yx3 h THR 70 Ca -0.00 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 66.96 1yx3 h THR 70 Cb 0.08 0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 66.53 1yx3 h THR 70 CO 0.01 0.15 0.15 0.50 0.37 0.00 0.00 175.52 176.70 1yx3 h LYS 71 N 0.80 0.31 -0.23 6.66 3.64 -0.54 -0.16 116.57 127.05 1yx3 h LYS 71 Ca 0.36 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.52 1yx3 h LYS 71 Cb 0.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1yx3 h LYS 71 CO -0.21 0.21 -0.64 0.00 -2.27 0.00 0.00 179.45 176.53 1yx3 h ALA 72 N 1.30 0.42 -0.06 5.00 0.00 -0.26 -2.66 119.26 123.01 1yx3 h ALA 72 Ca 0.21 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1yx3 h ALA 72 Cb 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1yx3 h ALA 72 CO -0.22 0.69 -0.13 0.28 0.00 0.00 0.00 179.25 179.86 1yx3 h VAL 73 N 0.60 1.13 0.00 0.00 2.07 -0.59 0.12 116.25 119.58 1yx3 h VAL 73 Ca -0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1yx3 h VAL 73 Cb 1.26 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1yx3 h VAL 73 CO 0.14 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.51 1yx3 n GLY 74 N -1.05 -0.61 0.93 2.17 0.00 -0.09 -1.42 105.19 105.12 1yx3 n GLY 74 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.58 0.00 -0.14 1.61 4.81 -0.59 -2.67 118.16 120.61 1yx3 n LYS 75 Ca 0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.37 1yx3 n LYS 75 Cb 0.01 -0.39 -0.01 0.00 0.02 0.00 0.00 35.03 34.66 1yx3 n LYS 75 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yx3 h LYS 76 N 0.00 0.61 0.02 1.64 3.11 -0.80 -3.32 116.57 117.83 1yx3 h LYS 76 Ca 0.00 -0.11 -0.38 0.00 -2.81 0.00 0.00 60.65 57.35 1yx3 h LYS 76 Cb 0.35 -0.10 -0.06 0.00 -1.00 0.00 0.00 32.23 31.42 1yx3 h LYS 76 CO 0.00 0.58 -2.37 -0.11 -2.81 0.00 0.00 179.45 174.74 1yx3 n LEU 77 N -4.64 2.55 0.00 5.20 7.94 -0.51 -5.07 117.00 122.47 1yx3 n LEU 77 Ca -0.00 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1yx3 n LEU 77 Cb 0.15 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1yx3 n LEU 77 CO 0.37 0.86 0.00 0.61 -1.11 0.00 0.00 177.39 178.13 1yx3 n GLY 78 N 2.14 3.72 0.28 -3.96 0.00 -0.86 -4.79 105.19 101.72 1yx3 n GLY 78 Ca -0.41 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1yx3 n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1yx3 h LYS 79 N 0.00 0.96 0.00 1.61 3.64 -1.78 0.39 116.57 121.38 1yx3 h LYS 79 Ca 0.00 -0.26 -0.25 0.00 -1.27 0.00 0.00 60.65 58.87 1yx3 h LYS 79 Cb 0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.67 1yx3 h LYS 79 CO 0.00 0.91 -1.49 1.49 -2.27 0.00 0.00 179.45 178.09 1yx3 h GLU 80 N 0.85 0.00 -0.16 1.90 4.81 -1.94 -3.37 114.58 116.67 1yx3 h GLU 80 Ca 0.18 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.23 1yx3 h GLU 80 Cb 0.42 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1yx3 h GLU 80 CO 0.01 0.55 -0.58 -0.22 -0.73 0.00 0.00 179.01 178.04 1yx3 h LYS 81 N 0.00 0.68 -2.77 1.92 1.63 -1.83 -3.30 116.57 112.89 1yx3 h LYS 81 Ca -0.21 -0.52 -0.72 0.00 -0.85 0.00 0.00 60.65 58.36 1yx3 h LYS 81 Cb 1.88 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 33.54 1yx3 h LYS 81 CO 0.08 1.13 2.95 0.41 -3.45 0.00 0.00 179.45 180.58 1yx3 n GLY 82 N 0.61 4.86 3.88 5.01 0.00 0.14 -4.86 105.19 114.81 1yx3 n GLY 82 Ca -0.07 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1yx3 n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yx3 s ASN 83 N 1.05 6.60 0.11 1.61 3.84 -1.25 -4.05 114.94 122.85 1yx3 s ASN 83 Ca 0.60 0.92 -0.22 0.00 0.21 0.00 0.00 52.86 54.37 1yx3 s ASN 83 Cb 0.18 -2.23 -0.09 0.00 -0.55 0.00 0.00 41.25 38.56 1yx3 s ASN 83 CO -0.08 -0.12 1.71 0.28 -2.79 0.00 0.00 177.10 176.10 1yx3 h SER 84 N 2.30 -0.15 -0.70 -4.21 0.02 -1.93 -0.97 113.55 107.91 1yx3 h SER 84 Ca -0.47 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.56 1yx3 h SER 84 Cb 1.17 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1yx3 h SER 84 CO 0.68 -0.07 0.46 0.50 -1.14 0.00 0.00 176.83 177.26 1yx3 h LYS 85 N -0.06 0.76 -0.50 3.45 1.63 -1.98 -2.11 116.57 117.77 1yx3 h LYS 85 Ca 0.04 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1yx3 h LYS 85 Cb 0.12 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1yx3 h LYS 85 CO -0.10 0.51 0.20 -0.92 -3.45 0.00 0.00 179.45 175.69 1yx3 h TYR 86 N 0.79 0.76 -0.80 1.91 3.20 -1.61 -0.02 116.97 121.20 1yx3 h TYR 86 Ca 0.29 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1yx3 h TYR 86 Cb 0.15 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 1yx3 h TYR 86 CO -0.00 0.64 0.40 -0.07 -1.64 0.00 0.00 178.16 177.48 1yx3 h LEU 87 N 0.67 1.03 -0.73 2.82 -0.00 -0.59 -0.50 115.31 118.01 1yx3 h LEU 87 Ca 0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1yx3 h LEU 87 Cb 0.20 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1yx3 h LEU 87 CO -0.01 0.87 0.00 1.88 -0.00 0.00 0.00 178.44 181.17 1yx3 h TYR 88 N 1.12 0.00 0.02 1.13 -1.99 -0.99 0.17 116.97 116.42 1yx3 h TYR 88 Ca 0.28 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.76 1yx3 h TYR 88 Cb 0.10 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 1yx3 h TYR 88 CO 0.01 0.00 -1.28 0.77 -0.00 0.00 0.00 178.16 177.66 1yx3 h SER 89 N 0.00 0.05 0.03 3.88 0.02 -0.20 -3.08 113.55 114.25 1yx3 h SER 89 Ca 0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1yx3 h SER 89 Cb 0.61 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1yx3 h SER 89 CO 0.00 1.06 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.66 1yx3 h LEU 90 N 0.01 -0.04 -7.57 5.07 3.38 -0.70 -3.41 115.31 112.05 1yx3 h LEU 90 Ca -0.12 -0.61 -0.65 0.00 0.09 0.00 0.00 57.88 56.58 1yx3 h LEU 90 Cb 1.87 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 42.23 1yx3 h LEU 90 CO 0.12 0.62 -0.69 -0.36 0.09 0.00 0.00 178.44 178.22 1yx3 s PHE 91 N -3.44 3.52 0.30 1.13 0.08 0.55 -4.98 117.98 115.14 1yx3 s PHE 91 Ca -0.16 -3.03 0.24 0.00 0.12 0.00 0.00 56.93 54.10 1yx3 s PHE 91 Cb -0.00 -2.86 1.15 0.00 -0.57 0.00 0.00 43.02 40.74 1yx3 s PHE 91 CO 0.63 -0.88 1.94 -1.35 -0.10 0.00 0.00 175.22 175.46 1yx3 h PRO 92 N 7.25 0.00 -0.60 0.24 0.11 -1.79 -2.48 132.00 134.74 1yx3 h PRO 92 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1yx3 h PRO 92 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1yx3 h PRO 92 CO 0.57 0.20 0.00 0.66 -0.21 0.00 0.00 178.00 179.22 1yx3 n TYR 93 N -3.59 1.02 0.00 0.65 4.01 -1.26 -4.94 117.16 113.05 1yx3 n TYR 93 Ca -0.01 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1yx3 n TYR 93 Cb 0.34 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.93 2.42 0.37 2.72 0.00 -0.94 -4.64 105.19 106.05 1yx3 n GLY 94 Ca 0.18 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 1yx3 n GLY 94 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yx3 h PRO 95 N 0.00 -0.39 -0.17 1.61 0.11 -1.79 -0.41 132.00 130.96 1yx3 h PRO 95 Ca 0.00 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1yx3 h PRO 95 Cb 0.00 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1yx3 h PRO 95 CO 0.00 -0.26 0.07 0.00 -0.21 0.00 0.00 178.00 177.60 1yx3 h ALA 96 N 0.35 0.22 0.36 -0.75 0.00 -1.93 -1.37 119.26 116.15 1yx3 h ALA 96 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yx3 h ALA 96 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yx3 h ALA 96 CO -0.43 -0.20 -0.21 0.87 0.00 0.00 0.00 179.25 179.28 1yx3 h LYS 97 N 0.12 -0.52 -0.19 0.00 1.57 -1.78 0.19 116.57 115.96 1yx3 h LYS 97 Ca 0.06 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1yx3 h LYS 97 Cb 0.16 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1yx3 h LYS 97 CO -0.01 -0.35 0.07 1.96 -0.57 0.00 0.00 179.45 180.56 1yx3 h GLN 98 N -0.54 0.29 -0.23 3.15 1.08 -1.12 -2.43 115.11 115.31 1yx3 h GLN 98 Ca -0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1yx3 h GLN 98 Cb 0.44 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 1yx3 h GLN 98 CO 0.05 0.38 0.11 0.00 -0.95 0.00 0.00 178.83 178.42 1yx3 h ALA 99 N 0.90 0.30 -0.49 3.87 0.00 -1.13 -2.45 119.26 120.26 1yx3 h ALA 99 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1yx3 h ALA 99 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1yx3 h ALA 99 CO -0.00 -0.14 0.17 0.00 0.00 0.00 0.00 179.25 179.27 1yx3 h ARG 101 N 0.71 0.66 0.05 0.00 2.43 -1.00 0.36 114.38 117.59 1yx3 h ARG 101 Ca 0.17 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 1yx3 h ARG 101 Cb 0.19 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1yx3 h ARG 101 CO -0.01 0.44 -1.07 0.74 -1.51 0.00 0.00 179.97 178.55 1yx3 h PHE 102 N 0.68 0.20 0.00 2.20 0.04 -0.99 -3.12 116.94 115.94 1yx3 h PHE 102 Ca 0.23 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1yx3 h PHE 102 Cb 0.03 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1yx3 h PHE 102 CO -0.06 1.09 0.00 0.00 -0.60 0.00 0.00 178.31 178.74 1yx3 n ALA 103 N -2.42 2.27 -0.62 2.45 0.00 -0.20 -4.05 120.51 117.93 1yx3 n ALA 103 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1yx3 n ALA 103 Cb 0.96 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.36 0.67 3.80 0.00 0.00 0.16 -4.92 105.19 106.26 1yx3 n GLY 104 Ca 0.07 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 4.45 0.00 0.99 1.43 0.10 -3.42 118.68 122.23 1yx3 s LEU 105 Ca 0.00 1.43 -0.21 0.00 -1.03 0.00 0.00 54.13 54.33 1yx3 s LEU 105 Cb 0.00 -3.35 0.31 0.00 0.03 0.00 0.00 46.19 43.18 1yx3 s LEU 105 CO 0.00 0.14 1.13 -0.81 0.23 0.00 0.00 176.35 177.03 1yx3 n PRO 106 N 1.18 -3.07 -1.46 1.29 -0.04 -1.26 -4.23 135.00 127.40 1yx3 n PRO 106 Ca -0.05 -1.80 -0.48 0.00 -0.04 0.00 0.00 63.50 61.14 1yx3 n PRO 106 Cb 0.50 -1.65 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1yx3 n PRO 106 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1yx3 n LYS 107 N -4.83 0.88 -0.02 0.54 3.00 -1.26 -4.82 118.16 111.66 1yx3 n LYS 107 Ca 0.15 0.20 -0.07 0.00 -0.00 0.00 0.00 58.31 58.59 1yx3 n LYS 107 Cb 0.60 -2.44 -0.13 0.00 0.00 0.00 0.00 35.03 33.05 1yx3 n LYS 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1yx3 n PRO 108 N 8.34 0.63 -2.51 1.64 -0.05 -1.26 -4.68 135.00 137.11 1yx3 n PRO 108 Ca 0.45 0.28 -0.40 0.00 -0.05 0.00 0.00 63.50 63.77 1yx3 n PRO 108 Cb 0.24 -1.79 -0.02 0.00 -0.05 0.00 0.00 33.50 31.88 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 175.50 176.40 1yx3 s THR 109 N -2.65 3.97 0.00 0.52 -4.23 -1.26 -4.50 115.64 107.50 1yx3 s THR 109 Ca -0.05 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1yx3 s THR 109 Cb 0.08 -5.04 0.00 0.00 1.34 0.00 0.00 72.50 68.88 1yx3 s THR 109 CO 0.82 -1.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.65 1yx3 n GLY 110 N 6.01 -0.85 2.61 3.99 0.00 -1.26 -5.09 105.19 110.60 1yx3 n GLY 110 Ca 0.43 0.63 -0.26 0.00 0.00 0.00 0.00 46.02 46.82 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32