#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 2.48 -2.44 -5.12 0.00 -1.26 -5.09 120.51 109.08 1yx3 n ALA 2 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1yx3 n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1yx3 n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yx3 s ASP 3 N -2.28 0.43 0.06 0.00 2.15 -1.14 -5.03 116.67 110.85 1yx3 s ASP 3 Ca 0.00 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1yx3 s ASP 3 Cb 0.00 0.47 -0.04 0.00 -0.30 0.00 0.00 42.92 43.05 1yx3 s ASP 3 CO 0.00 -0.97 -0.04 0.42 -0.17 0.00 0.00 175.17 174.41 1yx3 s THR 4 N -3.92 0.36 0.03 1.71 -4.23 -1.26 -0.22 115.64 108.11 1yx3 s THR 4 Ca 0.36 -1.63 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1yx3 s THR 4 Cb 0.04 -1.28 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 1yx3 s THR 4 CO 0.15 -0.83 -0.18 0.27 -0.54 0.00 0.00 174.62 173.49 1yx3 s ILE 5 N -3.21 1.45 -0.55 2.99 -4.36 -0.44 -4.89 121.20 112.18 1yx3 s ILE 5 Ca 0.03 -1.01 -0.21 0.00 -0.26 0.00 0.00 60.65 59.20 1yx3 s ILE 5 Cb 0.03 -1.25 0.06 0.00 1.25 0.00 0.00 42.46 42.55 1yx3 s ILE 5 CO -0.06 0.22 0.75 -0.70 0.24 0.00 0.00 174.94 175.38 1yx3 s GLU 6 N -0.93 3.16 -0.69 0.37 2.56 -1.26 -1.17 118.70 120.74 1yx3 s GLU 6 Ca 0.06 -0.80 0.00 0.00 0.00 0.00 0.00 54.97 54.23 1yx3 s GLU 6 Cb -0.08 -4.13 0.17 0.00 2.00 0.00 0.00 34.13 32.10 1yx3 s GLU 6 CO 0.01 -1.40 0.50 0.08 -0.56 0.00 0.00 175.26 173.90 1yx3 s VAL 7 N 3.10 3.49 -0.41 3.70 1.01 0.17 -4.88 120.40 126.58 1yx3 s VAL 7 Ca 0.19 -3.54 -0.19 0.00 0.00 0.00 0.00 61.98 58.44 1yx3 s VAL 7 Cb -0.18 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1yx3 s VAL 7 CO 0.13 -0.94 0.55 -0.67 0.00 0.00 0.00 175.10 174.16 1yx3 n ASP 8 N 2.79 -7.48 -1.37 3.32 2.03 -1.26 -3.27 116.55 111.32 1yx3 n ASP 8 Ca 0.13 0.49 -0.18 0.00 0.52 0.00 0.00 54.79 55.75 1yx3 n ASP 8 Cb 0.36 -4.61 -0.08 0.00 -0.72 0.00 0.00 41.12 36.07 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 -0.15 1.74 3.07 0.27 0.00 -1.26 -4.94 105.19 103.92 1yx3 n GLY 9 Ca 0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.50 0.22 -0.26 1.61 1.02 -1.20 -5.13 119.74 112.49 1yx3 s LYS 10 Ca 0.00 0.28 -0.05 0.00 0.02 0.00 0.00 55.97 56.22 1yx3 s LYS 10 Cb 0.00 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.41 1yx3 s LYS 10 CO 0.00 -0.04 0.01 -0.65 -0.92 0.00 0.00 175.35 173.75 1yx3 s GLN 11 N 0.18 3.09 -0.21 1.68 -0.21 -1.26 0.45 119.66 123.39 1yx3 s GLN 11 Ca -0.01 -0.83 -0.12 0.00 0.02 0.00 0.00 55.36 54.42 1yx3 s GLN 11 Cb -0.02 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 1yx3 s GLN 11 CO -0.00 -0.37 0.23 -0.06 -2.12 0.00 0.00 175.29 172.96 1yx3 s PHE 12 N 1.45 3.37 -0.14 0.91 0.40 -0.32 -4.87 117.98 118.77 1yx3 s PHE 12 Ca 0.03 0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 56.45 1yx3 s PHE 12 Cb -0.16 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.02 1yx3 s PHE 12 CO -0.01 0.11 1.53 0.00 0.70 0.00 0.00 175.22 177.56 1yx3 s ALA 13 N 0.90 3.51 0.20 5.36 0.00 -1.26 -1.33 121.76 129.14 1yx3 s ALA 13 Ca 0.11 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.77 1yx3 s ALA 13 Cb -0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.20 1yx3 s ALA 13 CO 0.04 -1.54 0.18 0.14 0.00 0.00 0.00 175.76 174.59 1yx3 s VAL 14 N 4.30 4.57 0.56 0.00 -7.23 0.70 -1.87 120.40 121.44 1yx3 s VAL 14 Ca 0.68 -1.18 -0.06 0.00 -1.81 0.00 0.00 61.98 59.61 1yx3 s VAL 14 Cb -0.27 -3.40 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1yx3 s VAL 14 CO 0.26 -0.22 0.87 -0.62 -0.31 0.00 0.00 175.10 175.08 1yx3 s ASP 15 N -3.46 5.84 0.57 4.85 -1.08 0.13 -2.90 116.67 120.63 1yx3 s ASP 15 Ca 0.32 0.83 0.33 0.00 -0.52 0.00 0.00 52.55 53.51 1yx3 s ASP 15 Cb -0.09 -1.93 1.73 0.00 -1.46 0.00 0.00 42.92 41.17 1yx3 s ASP 15 CO 0.25 -0.90 2.16 -0.33 0.52 0.00 0.00 175.17 176.86 1yx3 h GLU 16 N -0.06 0.00 0.00 4.34 5.08 -1.97 0.19 114.58 122.16 1yx3 h GLU 16 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1yx3 h GLU 16 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1yx3 h GLU 16 CO 0.61 0.06 0.00 0.39 -1.00 0.00 0.00 179.01 179.07 1yx3 n GLU 17 N -3.43 0.07 -0.50 2.33 -0.58 -1.26 -4.86 120.64 112.41 1yx3 n GLU 17 Ca -0.02 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1yx3 n GLU 17 Cb 0.19 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.45 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yx3 n GLY 18 N 0.60 0.71 2.22 0.62 0.00 0.68 -5.08 105.19 104.93 1yx3 n GLY 18 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 1yx3 n GLY 18 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yx3 n TYR 19 N -2.50 -3.07 -3.31 1.61 4.02 -1.23 -4.81 117.16 107.86 1yx3 n TYR 19 Ca 0.00 -1.03 -0.43 0.00 -0.01 0.00 0.00 57.90 56.43 1yx3 n TYR 19 Cb 0.00 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 38.83 1yx3 n TYR 19 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1yx3 s LEU 20 N 0.00 4.97 0.13 7.72 2.96 -1.23 0.20 118.68 133.44 1yx3 s LEU 20 Ca 0.38 -0.79 0.12 0.00 -0.22 0.00 0.00 54.13 53.62 1yx3 s LEU 20 Cb -0.02 -2.36 -0.12 0.00 0.50 0.00 0.00 46.19 44.19 1yx3 s LEU 20 CO 0.25 -0.62 1.15 0.77 -1.32 0.00 0.00 176.35 176.58 1yx3 h SER 21 N 8.76 0.00 -1.53 3.68 4.64 -1.61 -3.36 113.55 124.12 1yx3 h SER 21 Ca -0.27 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.33 1yx3 h SER 21 Cb 1.11 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.06 1yx3 h SER 21 CO 0.82 0.78 1.81 -3.20 -0.87 0.00 0.00 176.83 176.17 1yx3 n ASN 22 N -3.18 5.04 -4.63 4.97 2.85 -0.96 -4.96 115.26 114.39 1yx3 n ASN 22 Ca -0.04 -2.96 -0.43 0.00 -0.11 0.00 0.00 54.58 51.04 1yx3 n ASN 22 Cb 0.88 -1.63 -0.02 0.00 1.24 0.00 0.00 39.78 40.25 1yx3 n ASN 22 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1yx3 s LEU 23 N 2.35 3.85 0.41 1.20 1.98 -1.26 -4.64 118.68 122.57 1yx3 s LEU 23 Ca 0.47 1.43 0.00 0.00 -2.89 0.00 0.00 54.13 53.14 1yx3 s LEU 23 Cb 0.02 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.33 1yx3 s LEU 23 CO 0.02 -1.24 0.00 -3.20 -1.89 0.00 0.00 176.35 170.04 1yx3 n ASN 24 N 8.33 -2.59 0.00 3.68 5.15 -1.26 -5.06 115.26 123.51 1yx3 n ASN 24 Ca 0.18 0.75 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 1yx3 n ASN 24 Cb 0.46 2.50 0.00 0.00 -0.53 0.00 0.00 39.78 42.21 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1yx3 n ASP 25 N -3.48 0.00 -0.56 1.20 2.03 -1.26 -5.17 116.55 109.31 1yx3 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1yx3 n ASP 25 Cb 0.00 0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -2.47 -1.48 -4.35 -0.67 -0.00 -1.26 -5.06 117.44 102.15 1yx3 n TRP 26 Ca 0.00 0.78 -0.29 0.00 -0.00 0.00 0.00 57.50 57.99 1yx3 n TRP 26 Cb 0.00 -2.06 -0.12 0.00 -0.00 0.00 0.00 31.31 29.13 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 -1.73 2.54 0.54 5.87 -7.23 -1.26 -5.03 120.40 114.11 1yx3 s VAL 27 Ca 0.00 -1.65 0.24 0.00 -1.81 0.00 0.00 61.98 58.76 1yx3 s VAL 27 Cb 0.00 -2.15 0.36 0.00 0.56 0.00 0.00 36.38 35.15 1yx3 s VAL 27 CO 0.00 0.09 2.06 -0.65 -0.31 0.00 0.00 175.10 176.28 1yx3 h PRO 28 N 3.78 0.00 0.00 4.82 0.11 -1.97 -0.24 132.00 138.50 1yx3 h PRO 28 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1yx3 h PRO 28 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yx3 h PRO 28 CO 0.43 0.00 -0.00 0.78 -0.21 0.00 0.00 178.00 178.99 1yx3 h GLY 29 N 0.00 0.00 0.90 -0.55 0.00 -1.98 -1.94 103.07 99.51 1yx3 h GLY 29 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1yx3 h GLY 29 CO -0.00 0.00 0.10 -2.08 0.00 0.00 0.00 176.54 174.56 1yx3 h VAL 30 N 0.00 1.18 -0.70 4.60 2.07 -1.40 -0.59 116.25 121.41 1yx3 h VAL 30 Ca -0.00 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1yx3 h VAL 30 Cb 0.01 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1yx3 h VAL 30 CO 0.00 0.18 0.15 0.00 0.02 0.00 0.00 177.57 177.92 1yx3 h ALA 31 N 0.94 0.95 0.66 1.67 0.00 -1.52 -1.20 119.26 120.76 1yx3 h ALA 31 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1yx3 h ALA 31 Cb 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yx3 h ALA 31 CO -0.01 0.67 -0.32 0.22 0.00 0.00 0.00 179.25 179.81 1yx3 h ASP 32 N 1.06 -0.75 0.62 0.00 3.58 -1.11 0.19 116.42 120.01 1yx3 h ASP 32 Ca 0.22 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 1yx3 h ASP 32 Cb 0.40 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1yx3 h ASP 32 CO 0.01 -0.53 -0.30 1.62 -2.88 0.00 0.00 179.24 177.15 1yx3 h VAL 33 N -0.89 0.87 -0.01 2.25 3.04 -1.10 0.32 116.25 120.73 1yx3 h VAL 33 Ca -0.09 -1.18 -0.04 0.00 -1.01 0.00 0.00 66.70 64.38 1yx3 h VAL 33 Cb 0.68 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1yx3 h VAL 33 CO 0.15 0.29 -0.15 -0.03 -1.01 0.00 0.00 177.57 176.82 1yx3 h MET 34 N 0.00 0.11 0.00 4.17 1.85 -1.05 -3.01 114.93 117.00 1yx3 h MET 34 Ca -0.00 -0.11 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 1yx3 h MET 34 Cb 0.69 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.74 1yx3 h MET 34 CO 0.04 0.85 -0.24 0.00 -0.40 0.00 0.00 176.91 177.16 1yx3 h ALA 35 N 0.26 1.10 -0.50 0.39 0.00 -0.47 -1.67 119.26 118.37 1yx3 h ALA 35 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1yx3 h ALA 35 Cb 0.90 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1yx3 h ALA 35 CO 0.03 0.30 0.19 -0.22 0.00 0.00 0.00 179.25 179.55 1yx3 h LYS 36 N 0.00 0.75 -0.20 0.00 3.64 -0.96 0.32 116.57 120.12 1yx3 h LYS 36 Ca -0.00 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1yx3 h LYS 36 Cb 0.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1yx3 h LYS 36 CO 0.03 0.67 -0.52 1.96 -2.27 0.00 0.00 179.45 179.32 1yx3 h GLN 37 N 0.66 0.56 0.00 1.90 4.20 -1.31 -2.06 115.11 119.06 1yx3 h GLN 37 Ca 0.16 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1yx3 h GLN 37 Cb 0.21 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1yx3 h GLN 37 CO -0.01 0.94 0.00 -0.25 -0.67 0.00 0.00 178.83 178.84 1yx3 n ASP 38 N -3.97 0.00 -3.78 1.46 9.92 -0.67 -4.90 116.55 114.61 1yx3 n ASP 38 Ca -0.03 0.49 -0.25 0.00 -0.53 0.00 0.00 54.79 54.47 1yx3 n ASP 38 Cb 0.59 -0.50 0.03 0.00 -0.64 0.00 0.00 41.12 40.60 1yx3 n ASP 38 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1yx3 n ASN 39 N -1.50 -3.06 -4.20 -2.24 2.85 0.83 -4.97 115.26 102.97 1yx3 n ASN 39 Ca 0.05 -0.78 -0.36 0.00 -0.11 0.00 0.00 54.58 53.39 1yx3 n ASN 39 Cb 0.25 -4.07 -0.13 0.00 1.24 0.00 0.00 39.78 37.07 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1yx3 s LEU 40 N -6.97 3.97 -0.33 1.20 2.96 0.58 -5.02 118.68 115.06 1yx3 s LEU 40 Ca 0.32 -1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 52.74 1yx3 s LEU 40 Cb -0.16 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1yx3 s LEU 40 CO 0.81 -0.27 1.82 -0.70 -1.32 0.00 0.00 176.35 176.70 1yx3 s GLU 41 N 1.30 3.30 -0.65 1.98 2.12 -1.26 -4.62 118.70 120.87 1yx3 s GLU 41 Ca -0.04 1.43 -0.28 0.00 0.36 0.00 0.00 54.97 56.44 1yx3 s GLU 41 Cb -0.20 -4.21 0.03 0.00 0.26 0.00 0.00 34.13 30.01 1yx3 s GLU 41 CO -0.00 -1.90 1.22 -0.51 -0.54 0.00 0.00 175.26 173.53 1yx3 s LEU 42 N 7.06 3.35 0.00 2.70 1.43 -1.26 -4.93 118.68 127.02 1yx3 s LEU 42 Ca 0.80 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1yx3 s LEU 42 Cb -0.23 -2.90 0.16 0.00 0.03 0.00 0.00 46.19 43.25 1yx3 s LEU 42 CO 0.33 -1.63 1.02 0.35 0.23 0.00 0.00 176.35 176.65 1yx3 n THR 43 N 6.54 0.00 -0.26 5.49 -2.24 -1.26 -4.80 114.28 117.74 1yx3 n THR 43 Ca 0.06 -1.24 -0.01 0.00 -2.27 0.00 0.00 64.05 60.59 1yx3 n THR 43 Cb 0.49 -1.16 0.12 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.76 -0.62 -0.78 5.08 -1.98 0.19 114.58 117.23 1yx3 h GLU 44 Ca -0.33 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1yx3 h GLU 44 Cb 1.10 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 1yx3 h GLU 44 CO 0.31 0.50 0.36 0.93 -1.00 0.00 0.00 179.01 180.11 1yx3 h GLU 45 N 0.78 0.67 -0.06 2.33 3.07 -1.98 0.38 114.58 119.77 1yx3 h GLU 45 Ca 0.33 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 1yx3 h GLU 45 Cb 0.19 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1yx3 h GLU 45 CO -0.18 0.45 0.01 0.45 -1.40 0.00 0.00 179.01 178.33 1yx3 h HIS 46 N 0.69 0.10 -0.65 4.33 3.86 -1.68 -2.11 115.15 119.70 1yx3 h HIS 46 Ca 0.26 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1yx3 h HIS 46 Cb 0.09 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 1yx3 h HIS 46 CO -0.07 0.30 0.40 -1.49 0.86 0.00 0.00 177.93 177.93 1yx3 h TRP 47 N -0.13 0.85 -0.52 2.45 4.06 -0.28 -1.05 115.95 121.33 1yx3 h TRP 47 Ca 0.02 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.89 1yx3 h TRP 47 Cb 0.25 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 1yx3 h TRP 47 CO 0.01 0.57 -0.00 0.22 -3.56 0.00 0.00 178.44 175.67 1yx3 h ASP 48 N 0.90 0.91 -0.54 -3.49 3.58 -0.10 0.32 116.42 118.00 1yx3 h ASP 48 Ca 0.24 -0.31 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1yx3 h ASP 48 Cb -0.04 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1yx3 h ASP 48 CO -0.04 0.99 0.22 0.40 -2.88 0.00 0.00 179.24 177.93 1yx3 h ILE 49 N 0.79 1.21 0.06 2.25 1.08 -0.88 0.41 117.51 122.43 1yx3 h ILE 49 Ca 0.15 -0.66 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1yx3 h ILE 49 Cb 0.53 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1yx3 h ILE 49 CO 0.03 0.25 -0.03 0.40 -0.69 0.00 0.00 178.15 178.11 1yx3 h ILE 50 N 0.72 0.94 -0.27 -0.67 2.04 -0.92 -0.74 117.51 118.61 1yx3 h ILE 50 Ca 0.18 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1yx3 h ILE 50 Cb 0.18 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1yx3 h ILE 50 CO -0.02 0.00 0.17 -1.13 0.00 0.00 0.00 178.15 177.18 1yx3 h ASN 51 N -0.08 0.32 -0.70 1.72 -1.24 -0.14 -0.18 115.58 115.28 1yx3 h ASN 51 Ca -0.01 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 1yx3 h ASN 51 Cb 0.06 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 1yx3 h ASN 51 CO 0.01 0.25 0.37 0.15 -1.29 0.00 0.00 177.43 176.93 1yx3 h PHE 52 N 0.36 0.99 -0.27 0.67 3.57 -0.07 0.40 116.94 122.59 1yx3 h PHE 52 Ca 0.10 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 1yx3 h PHE 52 Cb -0.02 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.41 1yx3 h PHE 52 CO -0.05 0.70 -0.50 1.25 -2.23 0.00 0.00 178.31 177.48 1yx3 h LEU 53 N 1.00 0.91 -0.66 0.59 6.46 -0.84 0.39 115.31 123.17 1yx3 h LEU 53 Ca 0.25 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.46 1yx3 h LEU 53 Cb 0.06 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.69 1yx3 h LEU 53 CO -0.04 1.27 0.36 -0.09 -0.62 0.00 0.00 178.44 179.32 1yx3 h ARG 54 N 0.58 0.92 -0.37 1.25 9.65 -0.43 -0.87 114.38 125.12 1yx3 h ARG 54 Ca 0.01 -0.11 -0.10 0.00 -1.10 0.00 0.00 59.98 58.69 1yx3 h ARG 54 Cb 1.11 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 1yx3 h ARG 54 CO 0.11 0.70 -0.15 1.49 2.80 0.00 0.00 179.97 184.91 1yx3 h GLU 55 N 0.90 0.76 -0.79 0.20 4.81 -0.06 -1.20 114.58 119.20 1yx3 h GLU 55 Ca 0.23 -0.32 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1yx3 h GLU 55 Cb 0.05 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 1yx3 h GLU 55 CO -0.04 0.93 0.48 -0.92 -0.73 0.00 0.00 179.01 178.73 1yx3 h TYR 56 N 0.55 0.88 -0.25 0.92 5.03 0.01 0.21 116.97 124.32 1yx3 h TYR 56 Ca 0.09 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.38 1yx3 h TYR 56 Cb 0.69 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.68 1yx3 h TYR 56 CO 0.06 0.45 0.01 -0.92 -1.32 0.00 0.00 178.16 176.43 1yx3 h TYR 57 N 0.88 0.48 -0.48 -3.82 3.20 -0.97 0.29 116.97 116.55 1yx3 h TYR 57 Ca 0.34 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 1yx3 h TYR 57 Cb 0.16 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1yx3 h TYR 57 CO -0.05 0.60 0.15 0.93 -1.64 0.00 0.00 178.16 178.16 1yx3 h GLU 58 N 0.22 0.70 0.00 1.82 4.39 -0.69 -0.15 114.58 120.88 1yx3 h GLU 58 Ca 0.07 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1yx3 h GLU 58 Cb 0.40 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1yx3 h GLU 58 CO 0.01 0.61 -0.20 1.49 -1.16 0.00 0.00 179.01 179.76 1yx3 h GLU 59 N 0.69 0.00 -0.00 2.33 4.57 -0.44 -3.40 114.58 118.33 1yx3 h GLU 59 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1yx3 h GLU 59 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1yx3 h GLU 59 CO -0.01 0.00 -0.41 0.66 -1.18 0.00 0.00 179.01 178.07 1yx3 n TYR 60 N -4.32 0.00 -1.61 0.92 4.01 0.10 -4.92 117.16 111.34 1yx3 n TYR 60 Ca -0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.55 1yx3 n TYR 60 Cb 0.10 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.19 -1.14 -5.07 -0.72 1.13 -0.07 -4.98 117.38 105.35 1yx3 n GLN 61 Ca 0.08 1.01 -0.29 0.00 -1.94 0.00 0.00 57.00 55.86 1yx3 n GLN 61 Cb 0.34 -5.22 -0.15 0.00 0.11 0.00 0.00 30.24 25.31 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 -2.63 1.86 -0.55 5.09 1.01 -1.26 -5.02 121.20 119.71 1yx3 s ILE 62 Ca 0.00 -1.07 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 1yx3 s ILE 62 Cb 0.00 -1.56 0.06 0.00 0.01 0.00 0.00 42.46 40.97 1yx3 s ILE 62 CO 0.00 0.47 0.78 0.00 0.00 0.00 0.00 174.94 176.19 1yx3 s ALA 63 N -0.61 3.28 -0.03 9.38 0.00 -1.26 -3.93 121.76 128.59 1yx3 s ALA 63 Ca 0.09 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1yx3 s ALA 63 Cb -0.09 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 1yx3 s ALA 63 CO -0.00 -2.26 1.48 -1.25 0.00 0.00 0.00 175.76 173.73 1yx3 s PRO 64 N 3.26 4.24 1.02 0.00 0.04 -1.26 -4.98 135.00 137.32 1yx3 s PRO 64 Ca 0.21 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 1yx3 s PRO 64 Cb -0.17 -3.72 0.21 0.00 0.04 0.00 0.00 34.50 30.85 1yx3 s PRO 64 CO 0.14 -0.69 1.18 0.00 0.04 0.00 0.00 177.00 177.67 1yx3 s ALA 65 N 3.06 1.52 0.22 8.56 0.00 -1.26 -4.57 121.76 129.29 1yx3 s ALA 65 Ca 0.66 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1yx3 s ALA 65 Cb -0.31 -2.91 0.33 0.00 0.00 0.00 0.00 23.12 20.23 1yx3 s ALA 65 CO 0.26 -2.76 1.69 0.28 0.00 0.00 0.00 175.76 175.23 1yx3 h VAL 66 N -1.90 0.58 -0.53 0.00 2.07 -1.94 0.93 116.25 115.47 1yx3 h VAL 66 Ca -0.47 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1yx3 h VAL 66 Cb 1.29 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1yx3 h VAL 66 CO 0.46 0.04 0.04 0.03 0.02 0.00 0.00 177.57 178.15 1yx3 h ARG 67 N 0.23 0.87 -0.00 1.57 2.47 -1.92 -2.52 114.38 115.07 1yx3 h ARG 67 Ca 0.34 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1yx3 h ARG 67 Cb 0.53 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1yx3 h ARG 67 CO -0.46 0.84 -0.01 0.28 0.56 0.00 0.00 179.97 181.19 1yx3 h VAL 68 N 0.81 1.60 -0.18 2.04 2.07 -1.54 -2.99 116.25 118.06 1yx3 h VAL 68 Ca 0.16 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.91 1yx3 h VAL 68 Cb 0.44 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1yx3 h VAL 68 CO 0.02 0.46 0.08 0.25 0.02 0.00 0.00 177.57 178.40 1yx3 h LEU 69 N -0.75 0.12 -1.44 2.57 5.85 -0.89 -1.20 115.31 119.57 1yx3 h LEU 69 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1yx3 h LEU 69 Cb 0.77 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1yx3 h LEU 69 CO 0.00 0.09 0.13 0.74 -0.34 0.00 0.00 178.44 179.06 1yx3 h THR 70 N 0.18 1.15 -0.01 1.05 2.02 -1.56 -0.44 112.91 115.29 1yx3 h THR 70 Ca 0.07 -0.47 -0.15 0.00 0.77 0.00 0.00 66.41 66.63 1yx3 h THR 70 Cb 0.02 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1yx3 h THR 70 CO -0.06 0.18 -0.71 0.50 0.37 0.00 0.00 175.52 175.80 1yx3 h LYS 71 N 0.50 0.07 0.00 6.66 3.64 -1.27 -2.82 116.57 123.36 1yx3 h LYS 71 Ca 0.12 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1yx3 h LYS 71 Cb 0.13 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1yx3 h LYS 71 CO -0.01 0.75 -0.59 0.00 -2.27 0.00 0.00 179.45 177.33 1yx3 h ALA 72 N 1.23 0.83 0.00 5.00 0.00 -0.23 -2.66 119.26 123.43 1yx3 h ALA 72 Ca -0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1yx3 h ALA 72 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yx3 h ALA 72 CO 0.10 0.74 -0.06 0.28 0.00 0.00 0.00 179.25 180.32 1yx3 h VAL 73 N 0.00 0.75 0.00 0.00 2.07 -0.86 -1.27 116.25 116.94 1yx3 h VAL 73 Ca -0.01 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1yx3 h VAL 73 Cb 1.19 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1yx3 h VAL 73 CO 0.08 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1yx3 n GLY 74 N -1.20 -0.71 0.30 2.17 0.00 -1.00 -1.18 105.19 103.56 1yx3 n GLY 74 Ca -0.03 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.17 0.46 0.05 1.61 4.81 -0.49 -4.12 118.16 119.31 1yx3 n LYS 75 Ca 0.10 0.20 -0.22 0.00 -0.87 0.00 0.00 58.31 57.52 1yx3 n LYS 75 Cb 0.10 -1.28 -0.15 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.81 0.33 0.07 1.64 3.64 -1.50 -3.40 116.57 116.54 1yx3 h LYS 76 Ca -0.39 -0.56 -0.27 0.00 -1.27 0.00 0.00 60.65 58.16 1yx3 h LYS 76 Cb 1.27 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 1yx3 h LYS 76 CO -0.23 1.27 -1.46 -0.07 -2.27 0.00 0.00 179.45 176.68 1yx3 h LEU 77 N -0.18 0.23 0.00 5.20 -0.00 -1.41 -3.51 115.31 115.64 1yx3 h LEU 77 Ca -0.27 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 56.86 1yx3 h LEU 77 Cb 1.85 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.44 1yx3 h LEU 77 CO 0.13 1.61 0.00 0.61 -0.00 0.00 0.00 178.44 180.80 1yx3 n GLY 78 N 1.69 2.55 0.15 0.83 0.00 -0.77 -4.85 105.19 104.78 1yx3 n GLY 78 Ca -0.29 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 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 0.16 0.02 1.61 1.79 -1.86 -0.14 116.57 118.16 1yx3 h LYS 79 Ca 0.00 -0.14 -0.28 0.00 -2.18 0.00 0.00 60.65 58.06 1yx3 h LYS 79 Cb 0.00 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 1yx3 h LYS 79 CO 0.00 0.80 -1.51 1.05 -1.08 0.00 0.00 179.45 178.71 1yx3 h GLU 80 N 0.11 0.05 -0.10 3.15 -0.00 -1.93 -3.34 114.58 112.52 1yx3 h GLU 80 Ca -0.02 -0.08 -0.21 0.00 -0.00 0.00 0.00 59.36 59.05 1yx3 h GLU 80 Cb 1.24 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.03 1yx3 h GLU 80 CO 0.10 0.75 -0.79 0.87 -0.00 0.00 0.00 179.01 179.95 1yx3 h LYS 81 N 0.01 0.59 -2.86 1.06 1.57 -1.87 -3.34 116.57 111.73 1yx3 h LYS 81 Ca -0.21 -0.50 -0.71 0.00 -1.87 0.00 0.00 60.65 57.35 1yx3 h LYS 81 Cb 1.95 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 34.31 1yx3 h LYS 81 CO 0.10 1.13 3.03 0.41 -0.57 0.00 0.00 179.45 183.55 1yx3 n GLY 82 N 0.68 4.77 0.89 3.86 0.00 -0.07 -4.33 105.19 110.99 1yx3 n GLY 82 Ca -0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1yx3 n GLY 82 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yx3 n ASN 83 N 2.72 0.00 0.20 1.61 5.15 -1.25 -4.37 115.26 119.31 1yx3 n ASN 83 Ca 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.66 1yx3 n ASN 83 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 1yx3 n ASN 83 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1yx3 n SER 84 N -1.91 -3.53 -0.19 1.20 7.64 -1.26 -4.92 113.62 110.66 1yx3 n SER 84 Ca 0.00 0.84 -0.02 0.00 1.01 0.00 0.00 58.87 60.70 1yx3 n SER 84 Cb 0.00 3.36 0.05 0.00 -1.01 0.00 0.00 64.21 66.61 1yx3 n SER 84 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1yx3 h LYS 85 N 0.00 0.00 -0.22 1.43 1.63 -1.89 -1.54 116.57 115.98 1yx3 h LYS 85 Ca 0.00 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1yx3 h LYS 85 Cb 0.00 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 1yx3 h LYS 85 CO 0.00 0.00 0.07 -0.92 -3.45 0.00 0.00 179.45 175.15 1yx3 h TYR 86 N 0.00 0.12 -0.33 1.91 3.20 -1.85 0.36 116.97 120.37 1yx3 h TYR 86 Ca 0.28 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.01 1yx3 h TYR 86 Cb 0.42 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1yx3 h TYR 86 CO -0.47 0.05 -0.37 -0.07 -1.64 0.00 0.00 178.16 175.66 1yx3 h LEU 87 N 0.16 0.82 -0.45 2.82 -0.00 -1.60 -1.87 115.31 115.20 1yx3 h LEU 87 Ca 0.10 -0.36 -0.03 0.00 -0.00 0.00 0.00 57.88 57.59 1yx3 h LEU 87 Cb 0.07 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1yx3 h LEU 87 CO -0.11 1.09 -0.15 1.88 -0.00 0.00 0.00 178.44 181.16 1yx3 h TYR 88 N 0.64 0.00 0.00 1.13 -1.99 -1.05 0.80 116.97 116.51 1yx3 h TYR 88 Ca 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1yx3 h TYR 88 Cb 0.91 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.64 1yx3 h TYR 88 CO 0.05 0.15 -0.38 0.66 -0.00 0.00 0.00 178.16 178.64 1yx3 h SER 89 N 0.00 0.00 0.00 3.88 4.64 -0.71 -3.03 113.55 118.33 1yx3 h SER 89 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1yx3 h SER 89 Cb 0.96 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1yx3 h SER 89 CO 0.02 0.17 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.83 1yx3 h LEU 90 N 0.00 0.00 -7.18 5.97 3.38 -0.96 -3.43 115.31 113.09 1yx3 h LEU 90 Ca -0.01 -0.66 -0.62 0.00 0.09 0.00 0.00 57.88 56.68 1yx3 h LEU 90 Cb 1.14 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.48 1yx3 h LEU 90 CO 0.02 0.97 -0.69 -0.36 0.09 0.00 0.00 178.44 178.47 1yx3 s PHE 91 N -2.11 2.51 -0.03 1.13 0.08 0.24 -4.95 117.98 114.85 1yx3 s PHE 91 Ca -0.17 -2.73 0.31 0.00 0.12 0.00 0.00 56.93 54.47 1yx3 s PHE 91 Cb -0.01 -2.30 1.32 0.00 -0.57 0.00 0.00 43.02 41.47 1yx3 s PHE 91 CO 0.51 -0.77 1.93 -1.35 -0.10 0.00 0.00 175.22 175.43 1yx3 h PRO 92 N 6.71 0.00 -0.24 0.24 0.11 -1.77 -2.46 132.00 134.59 1yx3 h PRO 92 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1yx3 h PRO 92 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1yx3 h PRO 92 CO 0.57 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.34 1yx3 n TYR 93 N -2.85 0.32 0.00 0.65 9.36 -1.26 -4.90 117.16 118.48 1yx3 n TYR 93 Ca 0.01 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1yx3 n TYR 93 Cb 0.27 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1yx3 n GLY 94 N 1.17 2.62 0.17 2.98 0.00 -0.94 -4.72 105.19 106.49 1yx3 n GLY 94 Ca 0.16 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.16 -0.19 1.61 0.11 -1.78 0.60 132.00 132.18 1yx3 h PRO 95 Ca 0.00 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 1yx3 h PRO 95 Cb 0.00 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1yx3 h PRO 95 CO 0.00 -0.11 -0.62 0.00 -0.21 0.00 0.00 178.00 177.06 1yx3 h ALA 96 N -0.87 0.54 -0.03 -0.75 0.00 -1.89 -2.61 119.26 113.65 1yx3 h ALA 96 Ca 0.02 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1yx3 h ALA 96 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1yx3 h ALA 96 CO -0.21 0.70 -0.00 0.87 0.00 0.00 0.00 179.25 180.61 1yx3 h LYS 97 N 0.49 0.01 -0.29 0.00 1.79 -1.85 -0.78 116.57 115.94 1yx3 h LYS 97 Ca -0.01 -0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1yx3 h LYS 97 Cb 1.21 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1yx3 h LYS 97 CO 0.12 0.01 -0.42 1.96 -1.08 0.00 0.00 179.45 180.04 1yx3 h GLN 98 N 0.01 0.79 0.00 3.15 1.08 -0.96 -2.26 115.11 116.93 1yx3 h GLN 98 Ca 0.01 -0.47 0.01 0.00 -1.45 0.00 0.00 58.65 56.76 1yx3 h GLN 98 Cb 0.02 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1yx3 h GLN 98 CO -0.03 1.10 -0.06 0.00 -0.95 0.00 0.00 178.83 178.90 1yx3 h ALA 99 N 0.69 -0.06 0.00 3.87 0.00 -1.23 -0.65 119.26 121.88 1yx3 h ALA 99 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1yx3 h ALA 99 Cb 1.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1yx3 h ALA 99 CO 0.10 -0.55 -0.50 0.00 0.00 0.00 0.00 179.25 178.30 1yx3 h ARG 101 N 0.00 0.38 0.00 0.00 2.43 -0.87 -0.90 114.38 115.42 1yx3 h ARG 101 Ca -0.00 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 1yx3 h ARG 101 Cb 0.89 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1yx3 h ARG 101 CO 0.06 0.34 -0.22 0.74 -1.51 0.00 0.00 179.97 179.39 1yx3 h PHE 102 N 0.32 0.00 0.00 2.20 0.04 -0.93 -2.80 116.94 115.78 1yx3 h PHE 102 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1yx3 h PHE 102 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1yx3 h PHE 102 CO -0.03 0.22 0.00 0.00 -0.60 0.00 0.00 178.31 177.90 1yx3 n ALA 103 N -2.19 2.24 -2.16 2.45 0.00 -0.33 -4.06 120.51 116.47 1yx3 n ALA 103 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1yx3 n ALA 103 Cb 0.49 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.98 0.57 3.93 0.00 0.00 -0.83 -4.90 105.19 104.94 1yx3 n GLY 104 Ca 0.10 -0.82 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.33 3.94 1.09 0.99 1.43 -0.40 -4.67 118.68 120.73 1yx3 s LEU 105 Ca 0.00 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1yx3 s LEU 105 Cb 0.00 -2.60 0.23 0.00 0.03 0.00 0.00 46.19 43.86 1yx3 s LEU 105 CO 0.00 -0.28 1.11 -2.16 0.23 0.00 0.00 176.35 175.25 1yx3 s PRO 106 N -4.04 -0.33 -0.31 1.29 0.04 -1.26 -3.55 135.00 126.83 1yx3 s PRO 106 Ca 0.40 0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 1yx3 s PRO 106 Cb -0.08 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.79 1yx3 s PRO 106 CO 0.29 -3.17 1.13 -1.59 0.04 0.00 0.00 177.00 173.69 1yx3 s LYS 107 N -5.22 4.04 -0.34 4.56 0.00 -1.26 -4.87 119.74 116.64 1yx3 s LYS 107 Ca 0.68 1.12 -0.29 0.00 0.00 0.00 0.00 55.97 57.48 1yx3 s LYS 107 Cb -0.14 -3.77 0.02 0.00 0.00 0.00 0.00 37.83 33.94 1yx3 s LYS 107 CO 0.56 -0.94 1.10 -2.14 0.00 0.00 0.00 175.35 173.93 1yx3 s PRO 108 N 3.75 4.00 -0.42 1.78 0.02 -1.26 -5.01 135.00 137.87 1yx3 s PRO 108 Ca 0.48 1.01 -0.10 0.00 0.02 0.00 0.00 61.00 62.40 1yx3 s PRO 108 Cb -0.13 -3.77 0.07 0.00 0.02 0.00 0.00 34.50 30.69 1yx3 s PRO 108 CO 0.17 -0.99 0.27 0.99 -0.33 0.00 0.00 177.00 177.11 1yx3 s THR 109 N 3.82 4.37 0.00 0.99 2.01 -1.26 -4.85 115.64 120.72 1yx3 s THR 109 Ca 0.46 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1yx3 s THR 109 Cb -0.12 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.76 1yx3 s THR 109 CO 0.18 -0.48 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 1yx3 n GLY 110 N 4.95 -0.72 3.54 4.40 0.00 -1.26 -5.06 105.19 111.04 1yx3 n GLY 110 Ca -0.10 0.51 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32