#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx3 n ALA 2 N 0.00 0.83 -3.09 3.04 0.00 -1.26 -4.67 120.51 115.36 1yx3 n ALA 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1yx3 n ALA 2 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1yx3 n ALA 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx3 n ASP 3 N -2.25 0.45 -3.87 0.00 2.03 0.13 -4.98 116.55 108.06 1yx3 n ASP 3 Ca 0.15 -0.41 -0.17 0.00 0.52 0.00 0.00 54.79 54.87 1yx3 n ASP 3 Cb 0.49 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.73 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 -1.06 0.32 -0.17 5.18 -4.23 -1.26 -0.43 115.64 113.99 1yx3 s THR 4 Ca 0.00 -0.03 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1yx3 s THR 4 Cb 0.00 -0.36 -0.04 0.00 1.34 0.00 0.00 72.50 73.43 1yx3 s THR 4 CO 0.00 0.16 0.34 0.27 -0.54 0.00 0.00 174.62 174.85 1yx3 s ILE 5 N 0.76 5.26 -0.56 2.99 -4.36 0.21 -4.78 121.20 120.71 1yx3 s ILE 5 Ca -0.08 0.63 -0.20 0.00 -0.26 0.00 0.00 60.65 60.74 1yx3 s ILE 5 Cb -0.12 -3.68 0.08 0.00 1.25 0.00 0.00 42.46 39.99 1yx3 s ILE 5 CO -0.01 0.33 0.71 -0.70 0.24 0.00 0.00 174.94 175.52 1yx3 s GLU 6 N 0.79 3.09 -0.17 0.37 2.12 -1.26 -0.06 118.70 123.59 1yx3 s GLU 6 Ca 0.18 -1.07 -0.05 0.00 0.36 0.00 0.00 54.97 54.39 1yx3 s GLU 6 Cb -0.14 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.03 1yx3 s GLU 6 CO 0.06 -1.44 0.00 0.08 -0.54 0.00 0.00 175.26 173.42 1yx3 s VAL 7 N 2.85 4.22 0.00 3.70 1.01 -0.24 -4.83 120.40 127.11 1yx3 s VAL 7 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1yx3 s VAL 7 Cb -0.21 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1yx3 s VAL 7 CO 0.09 0.48 0.00 -0.67 0.00 0.00 0.00 175.10 175.00 1yx3 n ASP 8 N 3.59 0.00 0.00 3.32 2.03 -1.26 -1.12 116.55 123.11 1yx3 n ASP 8 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1yx3 n ASP 8 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.49 3.49 0.27 0.00 -1.26 -5.11 105.19 102.08 1yx3 n GLY 9 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.83 -0.48 1.61 3.01 -0.28 -5.08 119.74 121.36 1yx3 s LYS 10 Ca 0.00 -0.63 -0.23 0.00 -1.01 0.00 0.00 55.97 54.10 1yx3 s LYS 10 Cb 0.00 -2.53 0.03 0.00 -1.01 0.00 0.00 37.83 34.32 1yx3 s LYS 10 CO 0.00 0.53 0.78 1.14 0.51 0.00 0.00 175.35 178.31 1yx3 s GLN 11 N -0.47 3.34 -0.19 1.68 1.03 -1.26 -1.08 119.66 122.71 1yx3 s GLN 11 Ca 0.06 -0.26 -0.19 0.00 0.04 0.00 0.00 55.36 55.02 1yx3 s GLN 11 Cb -0.12 -3.98 -0.03 0.00 0.03 0.00 0.00 33.01 28.91 1yx3 s GLN 11 CO 0.02 -1.19 0.55 -0.06 -2.54 0.00 0.00 175.29 172.06 1yx3 s PHE 12 N 3.29 3.38 -0.03 9.60 0.40 0.92 -4.81 117.98 130.73 1yx3 s PHE 12 Ca 0.27 0.82 -0.30 0.00 -0.60 0.00 0.00 56.93 57.13 1yx3 s PHE 12 Cb -0.13 -2.70 -0.05 0.00 0.51 0.00 0.00 43.02 40.65 1yx3 s PHE 12 CO 0.20 -0.10 1.46 0.00 0.70 0.00 0.00 175.22 177.48 1yx3 s ALA 13 N 1.63 3.61 0.08 5.36 0.00 -1.26 -0.62 121.76 130.56 1yx3 s ALA 13 Ca 0.25 0.86 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1yx3 s ALA 13 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1yx3 s ALA 13 CO 0.10 -1.07 -0.11 0.14 0.00 0.00 0.00 175.76 174.82 1yx3 s VAL 14 N 2.93 0.89 0.75 0.00 -7.23 0.43 0.05 120.40 118.22 1yx3 s VAL 14 Ca 0.65 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.36 1yx3 s VAL 14 Cb -0.31 -1.11 0.16 0.00 0.56 0.00 0.00 36.38 35.68 1yx3 s VAL 14 CO 0.26 -0.43 1.02 -0.90 -0.31 0.00 0.00 175.10 174.74 1yx3 n ASP 15 N 0.96 0.93 0.19 4.85 5.75 -0.05 -0.69 116.55 128.49 1yx3 n ASP 15 Ca -0.19 -1.89 0.06 0.00 -0.01 0.00 0.00 54.79 52.77 1yx3 n ASP 15 Cb 0.56 -0.70 0.31 0.00 -1.03 0.00 0.00 41.12 40.26 1yx3 n ASP 15 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1yx3 h GLU 16 N 0.00 0.00 0.00 0.11 5.08 -1.90 -1.50 114.58 116.37 1yx3 h GLU 16 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1yx3 h GLU 16 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1yx3 h GLU 16 CO 0.32 0.35 0.00 0.93 -1.00 0.00 0.00 179.01 179.61 1yx3 h GLU 17 N 0.00 0.00 0.00 2.33 5.08 -1.98 -3.47 114.58 116.54 1yx3 h GLU 17 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1yx3 h GLU 17 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1yx3 h GLU 17 CO 0.05 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 1yx3 n GLY 18 N 0.89 1.24 3.79 -3.84 0.00 -0.56 -5.09 105.19 101.62 1yx3 n GLY 18 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.85 -0.10 1.61 1.51 -1.26 -4.78 117.35 116.19 1yx3 s TYR 19 Ca 0.00 1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 57.20 1yx3 s TYR 19 Cb 0.00 -2.62 -0.06 0.00 -0.11 0.00 0.00 41.96 39.17 1yx3 s TYR 19 CO 0.00 0.55 1.87 -1.17 -1.11 0.00 0.00 175.55 175.70 1yx3 s LEU 20 N -1.11 4.08 0.30 -1.29 2.96 -1.26 -0.87 118.68 121.49 1yx3 s LEU 20 Ca 0.32 2.17 0.21 0.00 -0.22 0.00 0.00 54.13 56.61 1yx3 s LEU 20 Cb -0.21 -3.53 0.14 0.00 0.50 0.00 0.00 46.19 43.09 1yx3 s LEU 20 CO 0.22 -1.27 1.32 0.28 -1.32 0.00 0.00 176.35 175.59 1yx3 h SER 21 N 11.34 0.00 -3.92 3.68 0.02 -0.70 -3.38 113.55 120.59 1yx3 h SER 21 Ca -0.42 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 59.79 1yx3 h SER 21 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.43 1yx3 h SER 21 CO 0.96 0.13 -0.11 0.21 -1.14 0.00 0.00 176.83 176.88 1yx3 s ASN 22 N -5.93 6.01 -0.57 3.07 3.84 -1.20 -5.02 114.94 115.14 1yx3 s ASN 22 Ca 0.03 -2.95 -0.24 0.00 0.21 0.00 0.00 52.86 49.91 1yx3 s ASN 22 Cb 0.07 -2.02 0.04 0.00 -0.55 0.00 0.00 41.25 38.80 1yx3 s ASN 22 CO 0.73 -0.42 0.97 -0.22 -2.79 0.00 0.00 177.10 175.38 1yx3 s LEU 23 N -0.21 4.07 0.00 3.21 1.98 -1.26 -4.66 118.68 121.80 1yx3 s LEU 23 Ca 0.19 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1yx3 s LEU 23 Cb -0.14 -2.80 0.00 0.00 0.66 0.00 0.00 46.19 43.91 1yx3 s LEU 23 CO -0.07 -1.28 0.00 -3.20 -1.89 0.00 0.00 176.35 169.91 1yx3 n ASN 24 N 7.60 0.00 -0.06 3.68 5.15 -1.26 -5.05 115.26 125.32 1yx3 n ASN 24 Ca 0.02 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.93 1yx3 n ASN 24 Cb 0.47 0.16 -0.02 0.00 -0.53 0.00 0.00 39.78 39.86 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1yx3 n ASP 25 N -2.29 1.38 -1.40 1.20 5.68 -1.26 -5.13 116.55 114.74 1yx3 n ASP 25 Ca 0.00 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 1yx3 n ASP 25 Cb 0.00 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1yx3 n TRP 26 N -3.89 -3.35 -4.28 2.11 -0.00 -1.26 -5.08 117.44 101.69 1yx3 n TRP 26 Ca -0.10 1.86 -0.19 0.00 -0.00 0.00 0.00 57.50 59.07 1yx3 n TRP 26 Cb 0.36 -3.07 -0.11 0.00 -0.00 0.00 0.00 31.31 28.49 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 -1.15 1.53 0.44 5.87 -7.23 -1.26 -5.04 120.40 113.56 1yx3 s VAL 27 Ca 0.00 -1.85 0.21 0.00 -1.81 0.00 0.00 61.98 58.53 1yx3 s VAL 27 Cb 0.00 -1.70 0.41 0.00 0.56 0.00 0.00 36.38 35.64 1yx3 s VAL 27 CO 0.00 -0.41 1.84 -0.65 -0.31 0.00 0.00 175.10 175.56 1yx3 h PRO 28 N 3.30 0.32 -0.04 4.82 0.11 -1.97 -0.02 132.00 138.51 1yx3 h PRO 28 Ca -0.40 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.70 1yx3 h PRO 28 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1yx3 h PRO 28 CO 0.52 0.21 0.04 0.78 -0.21 0.00 0.00 178.00 179.34 1yx3 h GLY 29 N 0.33 0.00 0.73 -0.55 0.00 -1.98 0.63 103.07 102.23 1yx3 h GLY 29 Ca 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.82 1yx3 h GLY 29 CO -0.17 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 174.26 1yx3 h VAL 30 N 0.00 1.13 -0.16 4.60 2.07 -1.39 -1.74 116.25 120.76 1yx3 h VAL 30 Ca 0.02 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1yx3 h VAL 30 Cb 0.10 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1yx3 h VAL 30 CO -0.00 0.15 -0.44 0.00 0.02 0.00 0.00 177.57 177.30 1yx3 h ALA 31 N 0.59 0.95 0.35 1.67 0.00 -1.53 -2.11 119.26 119.18 1yx3 h ALA 31 Ca -0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1yx3 h ALA 31 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1yx3 h ALA 31 CO 0.01 0.64 -0.44 0.22 0.00 0.00 0.00 179.25 179.67 1yx3 h ASP 32 N 0.31 -1.25 -0.79 0.00 3.58 -0.76 0.82 116.42 118.34 1yx3 h ASP 32 Ca 0.02 0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1yx3 h ASP 32 Cb 0.90 0.43 -0.04 0.00 1.72 0.00 0.00 39.33 42.34 1yx3 h ASP 32 CO 0.08 -0.55 0.37 0.58 -2.88 0.00 0.00 179.24 176.84 1yx3 h VAL 33 N -0.81 1.25 -0.31 2.25 2.07 -1.34 -2.20 116.25 117.17 1yx3 h VAL 33 Ca -0.04 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1yx3 h VAL 33 Cb 0.73 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1yx3 h VAL 33 CO -0.11 0.30 0.18 -0.03 0.02 0.00 0.00 177.57 177.94 1yx3 h MET 34 N 1.14 0.42 0.00 1.57 1.85 -1.14 -2.51 114.93 116.26 1yx3 h MET 34 Ca 0.27 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.25 1yx3 h MET 34 Cb 0.13 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 1yx3 h MET 34 CO -0.03 0.33 -0.35 0.00 -0.40 0.00 0.00 176.91 176.45 1yx3 h ALA 35 N 1.07 1.01 0.00 0.39 0.00 -0.67 -2.88 119.26 118.18 1yx3 h ALA 35 Ca 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1yx3 h ALA 35 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yx3 h ALA 35 CO -0.02 0.44 -0.24 0.87 0.00 0.00 0.00 179.25 180.30 1yx3 h LYS 36 N 0.00 0.00 0.03 0.00 1.57 -0.95 0.13 116.57 117.34 1yx3 h LYS 36 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yx3 h LYS 36 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1yx3 h LYS 36 CO 0.05 0.24 -0.01 1.96 -0.57 0.00 0.00 179.45 181.11 1yx3 h GLN 37 N 0.00 -0.03 0.00 3.15 4.20 -1.30 -3.21 115.11 117.92 1yx3 h GLN 37 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yx3 h GLN 37 Cb 0.64 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1yx3 h GLN 37 CO 0.03 0.64 0.00 -0.44 -0.67 0.00 0.00 178.83 178.39 1yx3 h ASP 38 N -0.78 0.00 -4.69 1.46 5.19 -1.51 -3.47 116.42 112.62 1yx3 h ASP 38 Ca -0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.26 1yx3 h ASP 38 Cb 0.69 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.32 1yx3 h ASP 38 CO 0.01 0.00 -0.49 -3.20 -3.12 0.00 0.00 179.24 172.43 1yx3 n ASN 39 N -2.54 -5.38 -3.87 6.45 5.15 0.24 -5.05 115.26 110.25 1yx3 n ASN 39 Ca 0.01 -0.41 -0.28 0.00 -0.60 0.00 0.00 54.58 53.29 1yx3 n ASN 39 Cb 0.21 -3.82 -0.16 0.00 -0.53 0.00 0.00 39.78 35.48 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1yx3 s LEU 40 N -4.44 1.70 -0.62 1.20 2.96 -0.04 -5.03 118.68 114.42 1yx3 s LEU 40 Ca 0.26 -0.78 -0.27 0.00 -0.22 0.00 0.00 54.13 53.13 1yx3 s LEU 40 Cb -0.03 -0.90 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 1yx3 s LEU 40 CO 0.52 -0.22 1.66 -1.61 -1.32 0.00 0.00 176.35 175.38 1yx3 s GLU 41 N 1.63 2.88 -0.53 1.98 2.02 -1.26 -4.57 118.70 120.85 1yx3 s GLU 41 Ca -0.01 0.42 -0.27 0.00 0.02 0.00 0.00 54.97 55.13 1yx3 s GLU 41 Cb -0.16 -4.30 -0.01 0.00 0.10 0.00 0.00 34.13 29.76 1yx3 s GLU 41 CO -0.07 -2.45 1.70 -0.51 0.02 0.00 0.00 175.26 173.95 1yx3 s LEU 42 N 7.80 3.38 0.00 1.80 1.43 -1.26 -4.96 118.68 126.87 1yx3 s LEU 42 Ca 0.58 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1yx3 s LEU 42 Cb -0.12 -2.92 0.10 0.00 0.03 0.00 0.00 46.19 43.27 1yx3 s LEU 42 CO 0.20 -2.01 0.66 0.35 0.23 0.00 0.00 176.35 175.79 1yx3 n THR 43 N 7.15 0.00 -0.27 5.49 -2.24 -1.26 -4.78 114.28 118.37 1yx3 n THR 43 Ca 0.18 -1.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.06 1yx3 n THR 43 Cb 0.50 -1.08 0.36 0.00 -2.10 0.00 0.00 70.33 68.01 1yx3 n THR 43 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1yx3 h GLU 44 N 0.00 0.71 -0.16 -0.78 4.39 -1.99 0.66 114.58 117.40 1yx3 h GLU 44 Ca -0.22 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.25 1yx3 h GLU 44 Cb 0.80 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1yx3 h GLU 44 CO 0.23 0.47 -0.65 0.93 -1.16 0.00 0.00 179.01 178.83 1yx3 h GLU 45 N 0.73 0.61 -0.15 2.33 5.08 -1.98 -2.45 114.58 118.74 1yx3 h GLU 45 Ca 0.44 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1yx3 h GLU 45 Cb 0.65 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1yx3 h GLU 45 CO -0.20 1.06 -0.03 0.45 -1.00 0.00 0.00 179.01 179.29 1yx3 h HIS 46 N 0.44 0.32 -0.49 4.33 3.86 -1.49 -2.63 115.15 119.49 1yx3 h HIS 46 Ca -0.02 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1yx3 h HIS 46 Cb 1.23 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.60 1yx3 h HIS 46 CO 0.06 0.56 0.24 -1.49 0.86 0.00 0.00 177.93 178.16 1yx3 h TRP 47 N -0.01 0.66 -0.29 2.45 4.06 -0.94 -1.66 115.95 120.22 1yx3 h TRP 47 Ca 0.04 -0.01 -0.16 0.00 2.06 0.00 0.00 58.89 60.82 1yx3 h TRP 47 Cb 0.46 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.40 1yx3 h TRP 47 CO 0.05 0.49 -0.45 0.22 -3.56 0.00 0.00 178.44 175.19 1yx3 h ASP 48 N 0.68 0.82 -0.23 -3.49 3.58 -1.38 0.19 116.42 116.59 1yx3 h ASP 48 Ca 0.17 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.22 1yx3 h ASP 48 Cb 0.06 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1yx3 h ASP 48 CO -0.02 1.14 0.12 0.40 -2.88 0.00 0.00 179.24 178.00 1yx3 h ILE 49 N 0.61 1.13 -0.59 2.25 1.08 -1.05 0.92 117.51 121.85 1yx3 h ILE 49 Ca 0.04 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1yx3 h ILE 49 Cb 1.01 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 1yx3 h ILE 49 CO 0.10 0.13 0.37 0.40 -0.69 0.00 0.00 178.15 178.45 1yx3 h ILE 50 N 0.25 1.09 -0.25 -0.67 2.04 -1.19 -2.14 117.51 116.64 1yx3 h ILE 50 Ca 0.08 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1yx3 h ILE 50 Cb 0.09 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1yx3 h ILE 50 CO -0.01 0.14 -0.04 -1.13 0.00 0.00 0.00 178.15 177.10 1yx3 h ASN 51 N 0.74 -0.19 -0.80 1.72 -1.24 -0.28 -2.52 115.58 113.01 1yx3 h ASN 51 Ca 0.23 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 1yx3 h ASN 51 Cb -0.01 0.14 -0.04 0.00 0.73 0.00 0.00 38.32 39.14 1yx3 h ASN 51 CO -0.09 -0.06 0.45 0.15 -1.29 0.00 0.00 177.43 176.59 1yx3 h PHE 52 N 0.02 1.09 -0.62 0.67 3.57 -0.41 -0.53 116.94 120.73 1yx3 h PHE 52 Ca 0.12 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1yx3 h PHE 52 Cb 0.18 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1yx3 h PHE 52 CO -0.24 0.75 0.23 -0.07 -2.23 0.00 0.00 178.31 176.76 1yx3 h LEU 53 N 1.12 0.84 -0.38 0.59 3.38 -1.06 0.44 115.31 120.25 1yx3 h LEU 53 Ca 0.29 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 1yx3 h LEU 53 Cb 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1yx3 h LEU 53 CO -0.05 0.76 -0.27 -0.09 0.09 0.00 0.00 178.44 178.89 1yx3 h ARG 54 N 0.90 0.85 -0.02 1.13 2.43 -0.91 -1.95 114.38 116.81 1yx3 h ARG 54 Ca 0.21 -0.41 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1yx3 h ARG 54 Cb 0.20 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1yx3 h ARG 54 CO -0.02 1.05 -0.13 0.93 -1.51 0.00 0.00 179.97 180.29 1yx3 h GLU 55 N 0.65 -0.21 -1.00 0.20 5.08 -0.52 0.27 114.58 119.06 1yx3 h GLU 55 Ca 0.07 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1yx3 h GLU 55 Cb 0.84 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1yx3 h GLU 55 CO 0.07 -0.14 0.66 -0.92 -1.00 0.00 0.00 179.01 177.68 1yx3 h TYR 56 N -0.22 1.26 -0.20 4.33 3.20 -0.91 -0.53 116.97 123.90 1yx3 h TYR 56 Ca 0.05 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 1yx3 h TYR 56 Cb 0.28 -0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1yx3 h TYR 56 CO -0.20 0.80 -0.10 -0.92 -1.64 0.00 0.00 178.16 176.10 1yx3 h TYR 57 N 1.35 0.49 0.00 -3.82 3.20 -0.89 -0.57 116.97 116.73 1yx3 h TYR 57 Ca 0.36 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1yx3 h TYR 57 Cb -0.15 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1yx3 h TYR 57 CO 0.00 0.72 0.00 0.93 -1.64 0.00 0.00 178.16 178.17 1yx3 h GLU 58 N 0.12 0.00 0.00 1.82 5.08 -0.08 0.50 114.58 122.02 1yx3 h GLU 58 Ca 0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.15 1yx3 h GLU 58 Cb 0.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1yx3 h GLU 58 CO 0.03 0.00 -1.41 0.39 -1.00 0.00 0.00 179.01 177.02 1yx3 n GLU 59 N -2.76 0.57 0.00 2.33 1.02 -0.24 -4.65 120.64 116.92 1yx3 n GLU 59 Ca 0.01 0.54 0.06 0.00 -0.02 0.00 0.00 57.16 57.75 1yx3 n GLU 59 Cb 0.28 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1yx3 n GLU 59 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1yx3 n TYR 60 N -4.40 0.00 -2.31 -0.32 4.01 -0.23 -4.97 117.16 108.93 1yx3 n TYR 60 Ca -0.35 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 1yx3 n TYR 60 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.52 -1.66 -4.54 -0.72 1.13 0.17 -4.98 117.38 106.26 1yx3 n GLN 61 Ca 0.04 1.04 -0.31 0.00 -1.94 0.00 0.00 57.00 55.84 1yx3 n GLN 61 Cb 0.23 -5.68 -0.17 0.00 0.11 0.00 0.00 30.24 24.73 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 -3.02 1.80 -0.42 5.09 1.01 -1.25 -5.02 121.20 119.39 1yx3 s ILE 62 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1yx3 s ILE 62 Cb 0.00 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1yx3 s ILE 62 CO 0.00 0.50 0.56 0.00 0.00 0.00 0.00 174.94 176.00 1yx3 s ALA 63 N 0.92 3.39 0.66 9.38 0.00 -1.26 -3.90 121.76 130.96 1yx3 s ALA 63 Ca -0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.53 1yx3 s ALA 63 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1yx3 s ALA 63 CO -0.02 -1.62 1.05 -1.25 0.00 0.00 0.00 175.76 173.92 1yx3 s PRO 64 N 2.54 3.18 0.00 0.00 0.04 -1.26 -4.80 135.00 134.70 1yx3 s PRO 64 Ca 0.19 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1yx3 s PRO 64 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1yx3 s PRO 64 CO 0.16 -0.81 0.00 0.00 0.04 0.00 0.00 177.00 176.40 1yx3 n ALA 65 N -2.86 0.00 0.16 8.56 0.00 -1.26 -4.83 120.51 120.27 1yx3 n ALA 65 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1yx3 n ALA 65 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.96 1yx3 n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yx3 h VAL 66 N 0.06 0.00 0.00 0.00 2.07 -1.99 0.18 116.25 116.57 1yx3 h VAL 66 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1yx3 h VAL 66 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1yx3 h VAL 66 CO 0.00 0.00 -0.40 0.03 0.02 0.00 0.00 177.57 177.22 1yx3 h ARG 67 N -0.50 0.00 -0.53 1.57 2.47 -1.99 -2.05 114.38 113.35 1yx3 h ARG 67 Ca -0.04 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 1yx3 h ARG 67 Cb 0.42 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1yx3 h ARG 67 CO 0.00 0.40 -0.09 0.28 0.56 0.00 0.00 179.97 181.12 1yx3 h VAL 68 N 0.00 1.27 0.03 2.04 2.07 -1.92 -2.70 116.25 117.04 1yx3 h VAL 68 Ca -0.00 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1yx3 h VAL 68 Cb 0.84 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1yx3 h VAL 68 CO 0.05 0.44 -0.01 0.25 0.02 0.00 0.00 177.57 178.32 1yx3 h LEU 69 N 0.87 -0.04 -0.90 2.57 5.85 -0.50 -3.11 115.31 120.06 1yx3 h LEU 69 Ca 0.14 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.87 1yx3 h LEU 69 Cb 0.66 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.58 1yx3 h LEU 69 CO 0.05 0.18 0.41 0.74 -0.34 0.00 0.00 178.44 179.48 1yx3 h THR 70 N -0.25 0.50 -0.70 1.05 2.02 -1.30 -0.23 112.91 114.00 1yx3 h THR 70 Ca -0.00 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1yx3 h THR 70 Cb 0.24 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 66.62 1yx3 h THR 70 CO 0.01 0.08 0.40 0.11 0.37 0.00 0.00 175.52 176.49 1yx3 h LYS 71 N 0.43 0.72 -0.00 6.66 1.57 -1.41 -2.52 116.57 122.02 1yx3 h LYS 71 Ca 0.56 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.29 1yx3 h LYS 71 Cb 1.03 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1yx3 h LYS 71 CO -0.51 0.47 -0.41 0.00 -0.57 0.00 0.00 179.45 178.43 1yx3 n ALA 72 N -2.35 3.39 0.15 3.86 0.00 -0.21 -3.66 120.51 121.69 1yx3 n ALA 72 Ca 0.09 -0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.18 1yx3 n ALA 72 Cb 0.17 -1.11 0.44 0.00 0.00 0.00 0.00 19.45 18.95 1yx3 n ALA 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yx3 h VAL 73 N 0.52 1.15 0.00 0.00 2.07 -0.77 -1.78 116.25 117.44 1yx3 h VAL 73 Ca 0.00 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1yx3 h VAL 73 Cb 0.51 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1yx3 h VAL 73 CO 0.00 0.21 -0.11 1.23 0.02 0.00 0.00 177.57 178.92 1yx3 h GLY 74 N 0.64 0.00 1.30 2.17 0.00 -1.66 0.15 103.07 105.67 1yx3 h GLY 74 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1yx3 h GLY 74 CO 0.02 0.00 -1.15 0.50 0.00 0.00 0.00 176.54 175.91 1yx3 h LYS 75 N 0.00 0.00 0.00 4.80 1.57 -1.57 -3.34 116.57 118.04 1yx3 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yx3 h LYS 75 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1yx3 h LYS 75 CO 0.01 0.38 -0.42 -0.22 -0.57 0.00 0.00 179.45 178.63 1yx3 h LYS 76 N 0.00 0.00 0.00 3.15 1.63 -0.97 -3.45 116.57 116.93 1yx3 h LYS 76 Ca -0.11 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1yx3 h LYS 76 Cb 1.54 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1yx3 h LYS 76 CO 0.05 0.00 -0.12 -0.07 -3.45 0.00 0.00 179.45 175.87 1yx3 h LEU 77 N -0.93 0.00 0.00 5.20 4.07 -0.96 -3.52 115.31 119.18 1yx3 h LEU 77 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1yx3 h LEU 77 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1yx3 h LEU 77 CO 0.00 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.21 1yx3 n GLY 78 N 1.78 -1.26 3.61 0.83 0.00 -1.23 -5.03 105.19 103.90 1yx3 n GLY 78 Ca -0.02 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1yx3 n GLY 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx3 s LYS 79 N -0.35 3.73 -0.53 1.61 2.47 -1.26 -3.10 119.74 122.31 1yx3 s LYS 79 Ca 0.00 0.74 0.00 0.00 -1.56 0.00 0.00 55.97 55.15 1yx3 s LYS 79 Cb 0.00 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.45 1yx3 s LYS 79 CO 0.00 -1.37 0.00 0.39 0.16 0.00 0.00 175.35 174.53 1yx3 n GLU 80 N 7.78 -1.68 -0.02 4.03 4.71 -1.26 -4.84 120.64 129.37 1yx3 n GLU 80 Ca 0.13 0.64 -0.03 0.00 -0.01 0.00 0.00 57.16 57.89 1yx3 n GLU 80 Cb 0.48 -4.98 0.20 0.00 -1.01 0.00 0.00 31.44 26.13 1yx3 n GLU 80 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1yx3 h LYS 81 N 0.07 0.58 0.05 3.49 1.63 -1.90 -3.04 116.57 117.44 1yx3 h LYS 81 Ca -0.10 -0.19 -0.27 0.00 -0.85 0.00 0.00 60.65 59.24 1yx3 h LYS 81 Cb 0.99 -0.05 0.02 0.00 -0.60 0.00 0.00 32.23 32.60 1yx3 h LYS 81 CO 0.15 0.71 -1.09 0.78 -3.45 0.00 0.00 179.45 176.55 1yx3 h GLY 82 N 0.97 0.73 0.00 5.01 0.00 -1.86 -3.46 103.07 104.46 1yx3 h GLY 82 Ca 0.09 -1.37 0.00 0.00 0.00 0.00 0.00 47.33 46.05 1yx3 h GLY 82 CO 0.04 1.21 0.00 1.16 0.00 0.00 0.00 176.54 178.95 1yx3 n ASN 83 N -3.86 0.00 0.00 0.19 0.23 -1.15 -3.68 115.26 106.98 1yx3 n ASN 83 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 1yx3 n ASN 83 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.61 1yx3 n ASN 83 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1yx3 n SER 84 N 2.14 0.00 -0.33 0.53 2.88 -1.26 -4.94 113.62 112.64 1yx3 n SER 84 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yx3 n SER 84 Cb 0.00 0.25 0.17 0.00 -0.75 0.00 0.00 64.21 63.88 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 1.17 -0.53 -1.46 1.63 -1.98 -2.03 116.57 113.38 1yx3 h LYS 85 Ca 0.00 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1yx3 h LYS 85 Cb 0.00 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.33 1yx3 h LYS 85 CO 0.00 0.78 0.32 -0.92 -3.45 0.00 0.00 179.45 176.18 1yx3 h TYR 86 N 1.21 0.61 -0.84 1.91 3.20 -1.88 0.00 116.97 121.18 1yx3 h TYR 86 Ca 0.36 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.23 1yx3 h TYR 86 Cb -0.05 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1yx3 h TYR 86 CO -0.00 0.36 0.44 -0.07 -1.64 0.00 0.00 178.16 177.25 1yx3 h LEU 87 N 0.65 1.06 -0.53 2.82 -0.00 -1.47 -1.11 115.31 116.73 1yx3 h LEU 87 Ca 0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1yx3 h LEU 87 Cb -0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 40.39 1yx3 h LEU 87 CO -0.08 0.87 0.00 1.88 -0.00 0.00 0.00 178.44 181.11 1yx3 h TYR 88 N 1.17 0.00 0.03 1.13 0.05 -0.99 -1.89 116.97 116.47 1yx3 h TYR 88 Ca 0.29 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.84 1yx3 h TYR 88 Cb 0.06 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 1yx3 h TYR 88 CO 0.01 0.00 -1.15 0.77 -1.05 0.00 0.00 178.16 176.74 1yx3 h SER 89 N 0.00 0.09 -0.07 3.88 0.02 -0.05 -3.03 113.55 114.39 1yx3 h SER 89 Ca 0.00 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1yx3 h SER 89 Cb 0.70 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1yx3 h SER 89 CO 0.00 1.08 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.59 1yx3 h LEU 90 N 0.02 0.22 -7.37 5.07 3.38 -1.04 -3.41 115.31 112.18 1yx3 h LEU 90 Ca -0.07 -0.55 -0.63 0.00 0.09 0.00 0.00 57.88 56.72 1yx3 h LEU 90 Cb 1.84 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 42.13 1yx3 h LEU 90 CO 0.14 0.73 -0.70 -0.36 0.09 0.00 0.00 178.44 178.33 1yx3 s PHE 91 N -4.03 2.89 0.39 1.13 0.08 -0.73 -4.97 117.98 112.73 1yx3 s PHE 91 Ca -0.15 -2.71 0.33 0.00 0.12 0.00 0.00 56.93 54.52 1yx3 s PHE 91 Cb 0.03 -2.48 1.67 0.00 -0.57 0.00 0.00 43.02 41.67 1yx3 s PHE 91 CO 0.72 -0.85 2.12 -1.35 -0.10 0.00 0.00 175.22 175.77 1yx3 h PRO 92 N 7.22 0.00 -0.00 0.24 0.11 -1.77 -0.82 132.00 136.98 1yx3 h PRO 92 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1yx3 h PRO 92 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1yx3 h PRO 92 CO 0.55 0.06 -0.19 0.66 -0.21 0.00 0.00 178.00 178.87 1yx3 n TYR 93 N -3.34 0.00 0.00 0.65 4.02 -1.26 -4.95 117.16 112.28 1yx3 n TYR 93 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1yx3 n TYR 93 Cb 0.22 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yx3 n GLY 94 N 1.41 3.41 0.39 2.72 0.00 -0.32 -4.85 105.19 107.96 1yx3 n GLY 94 Ca 0.10 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.54 -0.20 1.61 0.13 -1.74 -1.78 132.00 129.49 1yx3 h PRO 95 Ca 0.00 0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1yx3 h PRO 95 Cb 0.00 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1yx3 h PRO 95 CO 0.00 -0.36 0.00 0.00 -0.23 0.00 0.00 178.00 177.41 1yx3 h ALA 96 N 0.02 0.26 0.12 -0.56 0.00 -1.91 -2.02 119.26 115.17 1yx3 h ALA 96 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1yx3 h ALA 96 Cb 0.63 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1yx3 h ALA 96 CO -0.28 -0.02 -0.52 0.87 0.00 0.00 0.00 179.25 179.29 1yx3 h LYS 97 N 0.10 -0.72 -0.33 0.00 1.57 -1.85 0.16 116.57 115.51 1yx3 h LYS 97 Ca 0.06 0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1yx3 h LYS 97 Cb 0.39 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1yx3 h LYS 97 CO 0.01 -0.48 -0.22 1.96 -0.57 0.00 0.00 179.45 180.15 1yx3 h GLN 98 N -0.74 0.74 -0.34 3.15 1.08 -1.40 -1.81 115.11 115.79 1yx3 h GLN 98 Ca -0.01 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1yx3 h GLN 98 Cb 0.75 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1yx3 h GLN 98 CO -0.28 0.97 0.19 0.00 -0.95 0.00 0.00 178.83 178.75 1yx3 h ALA 99 N 0.76 0.43 -0.13 3.87 0.00 -1.18 0.03 119.26 123.03 1yx3 h ALA 99 Ca 0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1yx3 h ALA 99 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1yx3 h ALA 99 CO 0.06 -0.04 -0.53 0.00 0.00 0.00 0.00 179.25 178.75 1yx3 h ARG 101 N 0.30 -0.28 0.00 0.00 2.43 -0.86 0.26 114.38 116.23 1yx3 h ARG 101 Ca 0.01 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1yx3 h ARG 101 Cb 1.02 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 1yx3 h ARG 101 CO 0.09 -0.18 -0.27 0.74 -1.51 0.00 0.00 179.97 178.84 1yx3 h PHE 102 N -0.29 0.00 0.00 2.20 0.04 -0.92 -2.38 116.94 115.59 1yx3 h PHE 102 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1yx3 h PHE 102 Cb 0.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1yx3 h PHE 102 CO -0.11 0.27 -0.06 0.00 -0.60 0.00 0.00 178.31 177.81 1yx3 h ALA 103 N 1.73 0.97 0.00 2.45 0.00 -0.75 -3.40 119.26 120.27 1yx3 h ALA 103 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1yx3 h ALA 103 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yx3 h ALA 103 CO 0.04 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1yx3 n GLY 104 N 0.84 0.97 3.59 0.00 0.00 -0.19 -4.94 105.19 105.45 1yx3 n GLY 104 Ca 0.03 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.12 -1.10 0.99 1.43 0.76 -4.59 118.68 120.28 1yx3 s LEU 105 Ca 0.00 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1yx3 s LEU 105 Cb 0.00 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 1yx3 s LEU 105 CO 0.00 -0.72 1.85 -2.16 0.23 0.00 0.00 176.35 175.55 1yx3 s PRO 106 N 3.09 2.90 -0.91 1.29 0.04 -1.26 -4.26 135.00 135.89 1yx3 s PRO 106 Ca 0.32 -1.06 -0.06 0.00 0.04 0.00 0.00 61.00 60.24 1yx3 s PRO 106 Cb -0.13 -5.26 -0.02 0.00 0.04 0.00 0.00 34.50 29.13 1yx3 s PRO 106 CO 0.16 -3.30 0.75 1.63 0.04 0.00 0.00 177.00 176.28 1yx3 n LYS 107 N 8.54 -1.50 0.25 4.56 5.02 -1.26 -4.86 118.16 128.90 1yx3 n LYS 107 Ca 0.43 1.00 0.17 0.00 -2.02 0.00 0.00 58.31 57.88 1yx3 n LYS 107 Cb 0.47 -4.79 0.73 0.00 -0.02 0.00 0.00 35.03 31.42 1yx3 n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1yx3 h PRO 108 N -0.54 0.00 0.00 1.97 0.13 -1.90 -2.31 132.00 129.34 1yx3 h PRO 108 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1yx3 h PRO 108 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1yx3 h PRO 108 CO 0.38 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.10 1yx3 h THR 109 N 0.00 0.25 -0.84 1.56 1.03 -1.88 -3.47 112.91 109.56 1yx3 h THR 109 Ca 0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 66.41 66.04 1yx3 h THR 109 Cb 0.35 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 68.71 1yx3 h THR 109 CO 0.00 0.05 0.00 0.61 -0.01 0.00 0.00 175.52 176.17 1yx3 n GLY 110 N -0.61 0.42 1.39 2.99 0.00 -0.87 -5.05 105.19 103.45 1yx3 n GLY 110 Ca -0.02 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.48 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32