#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 3.63 0.36 3.04 0.00 -1.26 -4.39 121.76 123.14 1yx3 s ALA 2 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1yx3 s ALA 2 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 1yx3 s ALA 2 CO 0.00 0.05 0.11 -3.47 0.00 0.00 0.00 175.76 172.45 1yx3 n ASP 3 N -1.48 1.50 -3.70 0.00 -0.08 -0.42 -4.98 116.55 107.39 1yx3 n ASP 3 Ca -0.03 -2.87 -0.21 0.00 -1.51 0.00 0.00 54.79 50.17 1yx3 n ASP 3 Cb 0.55 0.79 -0.18 0.00 2.34 0.00 0.00 41.12 44.63 1yx3 n ASP 3 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1yx3 s THR 4 N -2.82 0.03 -0.05 5.18 -4.23 -1.26 -0.51 115.64 111.99 1yx3 s THR 4 Ca 0.15 0.31 -0.14 0.00 -1.18 0.00 0.00 61.69 60.83 1yx3 s THR 4 Cb 0.01 -0.28 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 1yx3 s THR 4 CO 0.11 0.18 0.38 0.27 -0.54 0.00 0.00 174.62 175.02 1yx3 s ILE 5 N 2.11 5.13 -0.44 2.99 -4.36 0.16 -4.85 121.20 121.94 1yx3 s ILE 5 Ca 0.05 0.76 -0.21 0.00 -0.26 0.00 0.00 60.65 60.99 1yx3 s ILE 5 Cb -0.12 -3.69 0.02 0.00 1.25 0.00 0.00 42.46 39.92 1yx3 s ILE 5 CO -0.04 0.52 0.63 -0.70 0.24 0.00 0.00 174.94 175.59 1yx3 s GLU 6 N -0.59 3.27 -0.78 0.37 2.12 -1.26 -0.62 118.70 121.20 1yx3 s GLU 6 Ca 0.22 -0.39 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 1yx3 s GLU 6 Cb -0.16 -3.95 0.19 0.00 0.26 0.00 0.00 34.13 30.48 1yx3 s GLU 6 CO 0.11 -1.01 0.63 0.08 -0.54 0.00 0.00 175.26 174.53 1yx3 s VAL 7 N 2.79 4.01 -0.43 3.70 1.01 0.11 -4.88 120.40 126.70 1yx3 s VAL 7 Ca 0.22 -3.57 -0.38 0.00 0.00 0.00 0.00 61.98 58.26 1yx3 s VAL 7 Cb -0.14 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1yx3 s VAL 7 CO 0.19 -1.00 0.64 -0.67 0.00 0.00 0.00 175.10 174.26 1yx3 n ASP 8 N 2.73 -5.62 0.00 3.32 2.03 -1.26 -2.20 116.55 115.55 1yx3 n ASP 8 Ca 0.16 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1yx3 n ASP 8 Cb 0.37 -1.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.00 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 -0.14 2.71 3.76 0.27 0.00 -1.26 -4.98 105.19 105.55 1yx3 n GLY 9 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 4.07 -0.43 1.61 1.02 -0.93 -5.06 119.74 120.02 1yx3 s LYS 10 Ca 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.69 1yx3 s LYS 10 Cb 0.00 -3.38 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 1yx3 s LYS 10 CO 0.00 0.38 0.31 -0.65 -0.92 0.00 0.00 175.35 174.46 1yx3 s GLN 11 N 0.13 2.83 -0.28 1.68 -1.52 -1.26 0.05 119.66 121.29 1yx3 s GLN 11 Ca 0.10 -1.29 -0.12 0.00 -1.95 0.00 0.00 55.36 52.09 1yx3 s GLN 11 Cb -0.11 -3.93 -0.04 0.00 -0.22 0.00 0.00 33.01 28.70 1yx3 s GLN 11 CO -0.00 -0.91 0.26 -0.06 -0.25 0.00 0.00 175.29 174.33 1yx3 s PHE 12 N 1.56 3.23 -0.00 0.91 0.08 0.21 -4.89 117.98 119.07 1yx3 s PHE 12 Ca 0.03 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 57.00 1yx3 s PHE 12 Cb -0.22 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 1yx3 s PHE 12 CO 0.06 -0.19 1.20 0.00 -0.10 0.00 0.00 175.22 176.18 1yx3 s ALA 13 N 1.88 3.44 0.01 5.36 0.00 -1.26 -0.66 121.76 130.52 1yx3 s ALA 13 Ca 0.10 0.72 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1yx3 s ALA 13 Cb -0.16 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1yx3 s ALA 13 CO 0.11 -0.61 -0.26 0.14 0.00 0.00 0.00 175.76 175.14 1yx3 s VAL 14 N 1.70 2.08 0.57 0.00 -7.23 0.33 -0.96 120.40 116.89 1yx3 s VAL 14 Ca 0.57 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 59.43 1yx3 s VAL 14 Cb -0.27 -1.75 0.13 0.00 0.56 0.00 0.00 36.38 35.05 1yx3 s VAL 14 CO 0.25 0.48 0.77 -0.90 -0.31 0.00 0.00 175.10 175.39 1yx3 n ASP 15 N 2.13 0.29 0.25 4.85 5.75 -0.41 -1.30 116.55 128.10 1yx3 n ASP 15 Ca -0.16 -1.42 0.15 0.00 -0.01 0.00 0.00 54.79 53.35 1yx3 n ASP 15 Cb 0.51 -0.57 0.48 0.00 -1.03 0.00 0.00 41.12 40.51 1yx3 n ASP 15 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1yx3 h GLU 16 N 0.00 0.00 -0.02 0.11 4.81 -1.91 -1.63 114.58 115.95 1yx3 h GLU 16 Ca -0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1yx3 h GLU 16 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1yx3 h GLU 16 CO 0.20 0.00 -0.04 0.39 -0.73 0.00 0.00 179.01 178.83 1yx3 n GLU 17 N -3.05 1.61 -1.64 1.92 1.02 -1.26 -4.94 120.64 114.29 1yx3 n GLU 17 Ca 0.02 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.17 1yx3 n GLU 17 Cb 0.39 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.22 0.72 3.69 0.62 0.00 -0.61 -5.07 105.19 105.76 1yx3 n GLY 18 Ca 0.18 -0.69 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.09 2.91 -0.13 1.61 1.51 -1.26 -4.87 117.35 115.03 1yx3 s TYR 19 Ca 0.00 -0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 55.66 1yx3 s TYR 19 Cb 0.00 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1yx3 s TYR 19 CO 0.00 0.51 1.47 -1.17 -1.11 0.00 0.00 175.55 175.25 1yx3 s LEU 20 N -2.86 4.20 0.28 -1.29 2.96 -1.26 -1.29 118.68 119.42 1yx3 s LEU 20 Ca 0.28 1.90 0.22 0.00 -0.22 0.00 0.00 54.13 56.30 1yx3 s LEU 20 Cb -0.10 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.17 1yx3 s LEU 20 CO 0.19 -0.90 1.24 0.28 -1.32 0.00 0.00 176.35 175.84 1yx3 h SER 21 N 9.11 0.00 -3.56 3.68 0.02 -1.36 -3.43 113.55 118.01 1yx3 h SER 21 Ca -0.33 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.92 1yx3 h SER 21 Cb 1.14 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.41 1yx3 h SER 21 CO 0.97 0.06 -0.52 0.21 -1.14 0.00 0.00 176.83 176.41 1yx3 s ASN 22 N -5.74 5.56 0.55 3.07 3.84 -1.25 -5.04 114.94 115.94 1yx3 s ASN 22 Ca 0.02 -1.26 0.03 0.00 0.21 0.00 0.00 52.86 51.86 1yx3 s ASN 22 Cb 0.08 -1.96 0.09 0.00 -0.55 0.00 0.00 41.25 38.91 1yx3 s ASN 22 CO 0.75 -0.43 0.67 0.18 -2.79 0.00 0.00 177.10 175.48 1yx3 n LEU 23 N 4.90 0.00 -1.24 3.21 4.77 -1.26 -4.54 117.00 122.85 1yx3 n LEU 23 Ca -0.11 -1.64 -0.12 0.00 -0.03 0.00 0.00 56.01 54.11 1yx3 n LEU 23 Cb 0.44 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1yx3 n LEU 23 CO 0.36 -0.78 -0.11 -0.46 -1.33 0.00 0.00 177.39 175.07 1yx3 n ASN 24 N -2.77 -3.50 0.03 -1.43 6.94 -1.26 -4.61 115.26 108.66 1yx3 n ASN 24 Ca 0.12 0.29 -0.00 0.00 -0.02 0.00 0.00 54.58 54.97 1yx3 n ASN 24 Cb 0.43 -3.16 -0.00 0.00 -2.36 0.00 0.00 39.78 34.69 1yx3 n ASN 24 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1yx3 n ASP 25 N -0.40 0.93 -1.31 0.53 -0.08 -1.26 -5.11 116.55 109.85 1yx3 n ASP 25 Ca -0.12 0.12 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1yx3 n ASP 25 Cb 0.42 -0.30 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 1yx3 n TRP 26 N -3.34 0.00 -4.10 -0.67 -0.00 -1.26 -5.00 117.44 103.06 1yx3 n TRP 26 Ca -0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.50 57.22 1yx3 n TRP 26 Cb 0.03 -0.54 -0.06 0.00 -0.00 0.00 0.00 31.31 30.73 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 0.00 4.31 0.52 5.87 -7.23 -1.26 -5.01 120.40 117.61 1yx3 s VAL 27 Ca 0.00 -1.10 0.27 0.00 -1.81 0.00 0.00 61.98 59.34 1yx3 s VAL 27 Cb 0.00 -3.17 0.43 0.00 0.56 0.00 0.00 36.38 34.20 1yx3 s VAL 27 CO 0.00 -0.06 1.95 1.55 -0.31 0.00 0.00 175.10 178.23 1yx3 h PRO 28 N 2.66 0.03 -0.09 4.82 0.13 -1.99 0.10 132.00 137.65 1yx3 h PRO 28 Ca -0.47 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1yx3 h PRO 28 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1yx3 h PRO 28 CO 0.62 0.02 -0.01 0.78 -0.23 0.00 0.00 178.00 179.18 1yx3 h GLY 29 N 0.03 0.14 0.93 1.56 0.00 -1.97 -2.61 103.07 101.14 1yx3 h GLY 29 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1yx3 h GLY 29 CO -0.02 0.06 -0.03 -2.08 0.00 0.00 0.00 176.54 174.47 1yx3 h VAL 30 N 0.13 0.92 -0.65 4.60 2.07 -1.36 -0.05 116.25 121.90 1yx3 h VAL 30 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1yx3 h VAL 30 Cb 0.11 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1yx3 h VAL 30 CO 0.00 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.77 1yx3 h ALA 31 N 0.93 1.08 0.57 1.67 0.00 -1.61 -0.75 119.26 121.15 1yx3 h ALA 31 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1yx3 h ALA 31 Cb 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1yx3 h ALA 31 CO -0.03 0.62 -0.28 0.22 0.00 0.00 0.00 179.25 179.79 1yx3 h ASP 32 N 0.98 -0.65 -0.62 0.00 1.82 -1.15 -0.34 116.42 116.44 1yx3 h ASP 32 Ca 0.21 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1yx3 h ASP 32 Cb 0.32 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.47 1yx3 h ASP 32 CO -0.00 -0.35 0.37 0.58 -1.61 0.00 0.00 179.24 178.23 1yx3 h VAL 33 N -0.94 1.18 -0.34 2.25 2.07 -0.94 -2.05 116.25 117.47 1yx3 h VAL 33 Ca -0.08 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 1yx3 h VAL 33 Cb 0.65 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1yx3 h VAL 33 CO 0.13 0.20 -0.20 -0.03 0.02 0.00 0.00 177.57 177.69 1yx3 h MET 34 N 0.88 0.74 -0.93 1.57 1.85 -1.09 -2.99 114.93 114.96 1yx3 h MET 34 Ca 0.23 -0.34 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1yx3 h MET 34 Cb -0.02 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.95 1yx3 h MET 34 CO -0.04 0.95 0.59 0.00 -0.40 0.00 0.00 176.91 178.01 1yx3 h ALA 35 N 0.77 1.18 -0.17 0.39 0.00 -0.45 -1.57 119.26 119.41 1yx3 h ALA 35 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1yx3 h ALA 35 Cb 0.75 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1yx3 h ALA 35 CO 0.06 0.60 -0.02 0.87 0.00 0.00 0.00 179.25 180.76 1yx3 h LYS 36 N 1.27 0.24 0.00 0.00 6.56 -1.34 0.37 116.57 123.67 1yx3 h LYS 36 Ca 0.34 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.81 1yx3 h LYS 36 Cb -0.11 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.50 1yx3 h LYS 36 CO -0.07 0.28 -0.36 1.96 -2.06 0.00 0.00 179.45 179.20 1yx3 h GLN 37 N 0.24 0.00 -0.08 3.15 4.20 -1.15 -3.02 115.11 118.45 1yx3 h GLN 37 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1yx3 h GLN 37 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1yx3 h GLN 37 CO 0.01 0.36 0.00 -3.47 -0.67 0.00 0.00 178.83 175.06 1yx3 n ASP 38 N -3.37 2.94 -2.24 1.46 2.03 -0.76 -4.97 116.55 111.64 1yx3 n ASP 38 Ca 0.01 -1.94 -0.10 0.00 0.52 0.00 0.00 54.79 53.28 1yx3 n ASP 38 Cb 0.56 -0.03 0.05 0.00 -0.72 0.00 0.00 41.12 40.98 1yx3 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1yx3 n ASN 39 N 1.28 -2.48 -3.99 1.67 5.15 -0.51 -5.05 115.26 111.33 1yx3 n ASN 39 Ca 0.14 -0.32 -0.17 0.00 -0.60 0.00 0.00 54.58 53.64 1yx3 n ASN 39 Cb 0.56 -2.91 -0.14 0.00 -0.53 0.00 0.00 39.78 36.76 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 -4.28 2.03 0.15 1.20 2.96 0.00 -5.02 118.68 115.71 1yx3 s LEU 40 Ca 0.06 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1yx3 s LEU 40 Cb -0.03 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1yx3 s LEU 40 CO 0.38 0.06 0.30 -1.83 -1.32 0.00 0.00 176.35 173.95 1yx3 s GLU 41 N -0.25 3.47 -0.27 1.98 -1.05 -1.26 -3.91 118.70 117.42 1yx3 s GLU 41 Ca 0.02 -0.47 0.02 0.00 -0.15 0.00 0.00 54.97 54.39 1yx3 s GLU 41 Cb -0.03 -2.94 0.06 0.00 -0.44 0.00 0.00 34.13 30.78 1yx3 s GLU 41 CO -0.00 0.50 -0.09 -0.51 0.95 0.00 0.00 175.26 176.11 1yx3 s LEU 42 N -3.09 3.54 0.00 1.83 1.43 -1.26 -4.98 118.68 116.15 1yx3 s LEU 42 Ca 0.36 -1.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 1yx3 s LEU 42 Cb -0.11 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.64 1yx3 s LEU 42 CO 0.28 -0.20 0.82 0.35 0.23 0.00 0.00 176.35 177.83 1yx3 n THR 43 N 4.48 0.00 0.16 5.49 -2.24 -1.26 -4.84 114.28 116.06 1yx3 n THR 43 Ca -0.14 -1.39 0.09 0.00 -2.27 0.00 0.00 64.05 60.34 1yx3 n THR 43 Cb 0.42 -0.91 0.60 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.13 -0.17 -0.78 3.07 -1.99 0.78 114.58 115.62 1yx3 h GLU 44 Ca -0.27 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.48 1yx3 h GLU 44 Cb 1.04 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1yx3 h GLU 44 CO 0.31 0.08 -0.27 0.93 -1.40 0.00 0.00 179.01 178.66 1yx3 h GLU 45 N 0.13 0.49 -0.26 2.33 4.39 -1.99 -1.95 114.58 117.72 1yx3 h GLU 45 Ca 0.07 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1yx3 h GLU 45 Cb 0.13 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1yx3 h GLU 45 CO -0.01 0.89 0.14 0.45 -1.16 0.00 0.00 179.01 179.32 1yx3 h HIS 46 N 0.14 0.37 -0.58 4.33 3.86 -1.65 -2.04 115.15 119.58 1yx3 h HIS 46 Ca 0.02 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1yx3 h HIS 46 Cb 0.85 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 1yx3 h HIS 46 CO 0.09 0.33 0.39 -1.49 0.86 0.00 0.00 177.93 178.11 1yx3 h TRP 47 N 0.30 0.73 -0.40 2.45 4.06 -0.90 -0.68 115.95 121.52 1yx3 h TRP 47 Ca 0.09 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.93 1yx3 h TRP 47 Cb 0.09 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 27.99 1yx3 h TRP 47 CO -0.03 0.46 -0.26 0.22 -3.56 0.00 0.00 178.44 175.27 1yx3 h ASP 48 N 0.78 0.86 -0.31 -3.49 1.82 -0.94 0.20 116.42 115.34 1yx3 h ASP 48 Ca 0.21 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.46 1yx3 h ASP 48 Cb -0.08 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.68 1yx3 h ASP 48 CO -0.05 1.07 -0.06 0.40 -1.61 0.00 0.00 179.24 179.00 1yx3 h ILE 49 N 0.71 1.28 -0.52 2.25 1.08 -0.74 0.23 117.51 121.80 1yx3 h ILE 49 Ca 0.09 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 1yx3 h ILE 49 Cb 0.80 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 1yx3 h ILE 49 CO 0.07 0.35 0.33 0.40 -0.69 0.00 0.00 178.15 178.61 1yx3 h ILE 50 N 0.36 1.14 -0.54 -0.67 2.04 -0.98 -1.11 117.51 117.75 1yx3 h ILE 50 Ca 0.08 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1yx3 h ILE 50 Cb 0.54 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1yx3 h ILE 50 CO 0.03 0.14 0.34 -1.13 0.00 0.00 0.00 178.15 177.52 1yx3 h ASN 51 N 0.70 0.57 -0.59 1.72 -0.73 -0.42 -0.73 115.58 116.09 1yx3 h ASN 51 Ca 0.19 -0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.38 1yx3 h ASN 51 Cb -0.06 -0.13 -0.04 0.00 0.27 0.00 0.00 38.32 38.36 1yx3 h ASN 51 CO -0.04 0.40 0.36 0.15 -0.37 0.00 0.00 177.43 177.93 1yx3 h PHE 52 N 0.68 0.67 -0.51 0.67 3.57 -0.02 0.83 116.94 122.83 1yx3 h PHE 52 Ca 0.21 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1yx3 h PHE 52 Cb -0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1yx3 h PHE 52 CO -0.05 0.38 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.31 1yx3 h LEU 53 N 0.70 0.85 0.13 0.59 3.38 -0.94 0.93 115.31 120.95 1yx3 h LEU 53 Ca 0.24 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1yx3 h LEU 53 Cb 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1yx3 h LEU 53 CO -0.11 0.93 -0.06 -0.09 0.09 0.00 0.00 178.44 179.20 1yx3 h ARG 54 N 0.81 -0.16 -0.29 1.13 2.43 -0.18 -0.16 114.38 117.95 1yx3 h ARG 54 Ca 0.15 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1yx3 h ARG 54 Cb 0.52 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1yx3 h ARG 54 CO 0.03 -0.07 0.18 0.93 -1.51 0.00 0.00 179.97 179.52 1yx3 h GLU 55 N -0.21 0.40 -0.09 0.20 4.39 -0.74 0.84 114.58 119.36 1yx3 h GLU 55 Ca -0.02 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1yx3 h GLU 55 Cb 0.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1yx3 h GLU 55 CO 0.03 0.31 0.00 -0.92 -1.16 0.00 0.00 179.01 177.27 1yx3 h TYR 56 N 0.37 0.00 -0.13 4.33 5.03 -0.65 0.14 116.97 126.06 1yx3 h TYR 56 Ca 0.10 0.01 -0.20 0.00 2.58 0.00 0.00 58.73 61.22 1yx3 h TYR 56 Cb 0.01 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.31 1yx3 h TYR 56 CO -0.04 -0.01 -0.73 -0.92 -1.32 0.00 0.00 178.16 175.14 1yx3 h TYR 57 N 0.04 0.84 -0.19 -3.82 3.20 -0.94 0.05 116.97 116.14 1yx3 h TYR 57 Ca 0.04 -0.36 -0.13 0.00 3.14 0.00 0.00 58.73 61.42 1yx3 h TYR 57 Cb 0.05 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1yx3 h TYR 57 CO -0.12 1.15 -0.44 1.49 -1.64 0.00 0.00 178.16 178.61 1yx3 h GLU 58 N 0.43 0.47 0.13 1.82 4.81 -0.61 0.21 114.58 121.85 1yx3 h GLU 58 Ca -0.04 -0.25 -0.35 0.00 -0.13 0.00 0.00 59.36 58.59 1yx3 h GLU 58 Cb 1.33 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1yx3 h GLU 58 CO 0.14 0.82 -1.90 1.49 -0.73 0.00 0.00 179.01 178.83 1yx3 h GLU 59 N 0.38 0.27 0.00 1.92 4.81 -0.73 -3.39 114.58 117.85 1yx3 h GLU 59 Ca 0.03 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1yx3 h GLU 59 Cb 0.92 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1yx3 h GLU 59 CO 0.08 1.22 -1.07 0.66 -0.73 0.00 0.00 179.01 179.18 1yx3 n TYR 60 N -3.57 0.00 -1.77 0.92 4.01 0.00 -4.98 117.16 111.77 1yx3 n TYR 60 Ca -0.31 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.28 1yx3 n TYR 60 Cb 1.03 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.91 1yx3 n TYR 60 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1yx3 n GLN 61 N -1.59 -1.14 -4.64 -0.72 -0.06 0.74 -4.99 117.38 104.98 1yx3 n GLN 61 Ca 0.01 0.93 -0.25 0.00 -2.00 0.00 0.00 57.00 55.69 1yx3 n GLN 61 Cb 0.31 -5.17 -0.17 0.00 -4.06 0.00 0.00 30.24 21.16 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 -2.65 1.23 -0.44 1.69 2.07 -1.25 -5.02 121.20 116.82 1yx3 s ILE 62 Ca 0.00 -0.53 -0.18 0.00 -1.41 0.00 0.00 60.65 58.53 1yx3 s ILE 62 Cb 0.00 -1.11 0.03 0.00 0.13 0.00 0.00 42.46 41.51 1yx3 s ILE 62 CO 0.00 0.38 0.51 0.00 -1.91 0.00 0.00 174.94 173.92 1yx3 s ALA 63 N 0.64 3.41 0.34 1.50 0.00 -1.26 -3.98 121.76 122.41 1yx3 s ALA 63 Ca -0.15 -1.51 -0.26 0.00 0.00 0.00 0.00 51.96 50.04 1yx3 s ALA 63 Cb -0.16 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1yx3 s ALA 63 CO 0.04 -1.71 1.01 -1.25 0.00 0.00 0.00 175.76 173.85 1yx3 s PRO 64 N 2.35 4.46 0.58 0.00 0.04 -1.26 -4.44 135.00 136.73 1yx3 s PRO 64 Ca 0.15 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.59 1yx3 s PRO 64 Cb -0.17 -2.81 0.13 0.00 0.04 0.00 0.00 34.50 31.69 1yx3 s PRO 64 CO 0.14 0.13 0.79 0.00 0.04 0.00 0.00 177.00 178.10 1yx3 n ALA 65 N 0.51 -0.75 -0.09 8.56 0.00 -1.26 -4.59 120.51 122.89 1yx3 n ALA 65 Ca 0.02 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 1yx3 n ALA 65 Cb 0.49 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.30 0.08 -0.45 0.00 2.07 -1.96 0.12 116.25 114.81 1yx3 h VAL 66 Ca -0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1yx3 h VAL 66 Cb 0.74 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1yx3 h VAL 66 CO 0.19 0.00 0.25 0.03 0.02 0.00 0.00 177.57 178.07 1yx3 h ARG 67 N -0.41 0.49 -0.10 1.57 3.08 -1.96 -0.48 114.38 116.57 1yx3 h ARG 67 Ca 0.10 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 1yx3 h ARG 67 Cb 0.61 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1yx3 h ARG 67 CO -0.53 0.33 -0.17 0.28 -1.07 0.00 0.00 179.97 178.81 1yx3 h VAL 68 N 0.51 1.39 0.12 2.04 2.07 -1.80 -2.38 116.25 118.19 1yx3 h VAL 68 Ca 0.19 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1yx3 h VAL 68 Cb 0.05 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1yx3 h VAL 68 CO -0.10 0.41 -0.06 0.25 0.02 0.00 0.00 177.57 178.09 1yx3 h LEU 69 N -0.15 -0.14 -1.86 2.57 5.85 -0.66 -2.21 115.31 118.72 1yx3 h LEU 69 Ca 0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1yx3 h LEU 69 Cb 0.74 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 1yx3 h LEU 69 CO 0.04 -0.07 -0.11 0.74 -0.34 0.00 0.00 178.44 178.70 1yx3 h THR 70 N -0.19 0.94 -0.10 1.05 2.02 -1.13 -0.77 112.91 114.73 1yx3 h THR 70 Ca -0.02 -0.40 -0.17 0.00 0.77 0.00 0.00 66.41 66.59 1yx3 h THR 70 Cb 0.15 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1yx3 h THR 70 CO 0.03 0.11 -0.67 0.50 0.37 0.00 0.00 175.52 175.86 1yx3 h LYS 71 N 0.00 0.42 0.00 6.66 3.64 -1.10 -2.97 116.57 123.21 1yx3 h LYS 71 Ca -0.00 -0.31 -0.15 0.00 -1.27 0.00 0.00 60.65 58.92 1yx3 h LYS 71 Cb 0.22 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1yx3 h LYS 71 CO 0.01 0.94 -0.72 0.00 -2.27 0.00 0.00 179.45 177.41 1yx3 h ALA 72 N 0.98 0.57 -0.59 5.00 0.00 -0.60 -3.20 119.26 121.42 1yx3 h ALA 72 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1yx3 h ALA 72 Cb 1.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1yx3 h ALA 72 CO 0.12 0.90 0.37 0.28 0.00 0.00 0.00 179.25 180.92 1yx3 h VAL 73 N 0.00 1.16 0.00 0.00 2.07 -1.17 -2.17 116.25 116.14 1yx3 h VAL 73 Ca -0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1yx3 h VAL 73 Cb 1.51 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1yx3 h VAL 73 CO 0.09 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.46 1yx3 n GLY 74 N -1.39 -1.05 0.08 2.17 0.00 -1.21 -0.27 105.19 103.52 1yx3 n GLY 74 Ca 0.06 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.79 0.63 -0.06 1.61 4.81 -0.82 -3.44 118.16 119.10 1yx3 n LYS 75 Ca 0.02 0.06 -0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1yx3 n LYS 75 Cb 0.17 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.49 1yx3 n LYS 75 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yx3 n LYS 76 N -2.64 0.38 0.08 1.64 0.00 -0.79 -4.70 118.16 112.13 1yx3 n LYS 76 Ca -0.08 0.15 -0.09 0.00 0.00 0.00 0.00 58.31 58.29 1yx3 n LYS 76 Cb 0.71 -1.16 -0.00 0.00 0.00 0.00 0.00 35.03 34.58 1yx3 n LYS 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1yx3 h LEU 77 N -0.72 0.31 0.00 3.14 5.85 -0.89 -3.49 115.31 119.51 1yx3 h LEU 77 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1yx3 h LEU 77 Cb 0.72 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1yx3 h LEU 77 CO 0.00 1.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.74 1yx3 n GLY 78 N 0.83 2.37 3.81 3.75 0.00 -1.13 -4.86 105.19 109.94 1yx3 n GLY 78 Ca -0.04 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yx3 s LYS 79 N -1.82 3.99 0.00 1.61 1.02 -1.24 -1.29 119.74 122.01 1yx3 s LYS 79 Ca 0.00 1.20 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1yx3 s LYS 79 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 1yx3 s LYS 79 CO 0.00 -0.25 0.00 0.39 -0.92 0.00 0.00 175.35 174.57 1yx3 n GLU 80 N -0.92 0.00 0.00 1.68 1.02 -1.26 -4.38 120.64 116.78 1yx3 n GLU 80 Ca 0.08 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.38 1yx3 n GLU 80 Cb 0.53 -0.14 0.88 0.00 -0.02 0.00 0.00 31.44 32.69 1yx3 n GLU 80 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yx3 n LYS 81 N 0.00 0.98 -4.34 3.49 5.02 -1.21 -3.73 118.16 118.37 1yx3 n LYS 81 Ca 0.00 -0.10 -0.18 0.00 -2.02 0.00 0.00 58.31 56.01 1yx3 n LYS 81 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1yx3 s GLY 82 N -2.09 1.94 -0.19 0.72 0.00 -0.41 -4.64 107.32 102.65 1yx3 s GLY 82 Ca 0.44 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1yx3 s GLY 82 CO 0.38 -1.61 0.08 -2.01 0.00 0.00 0.00 173.10 169.94 1yx3 n ASN 83 N -0.72 -3.97 0.00 1.64 5.15 -1.13 -4.56 115.26 111.67 1yx3 n ASN 83 Ca 0.00 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 55.00 1yx3 n ASN 83 Cb 0.66 -4.15 0.00 0.00 -0.53 0.00 0.00 39.78 35.75 1yx3 n ASN 83 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1yx3 n SER 84 N 0.83 0.00 -0.01 1.20 2.88 -1.26 -4.46 113.62 112.80 1yx3 n SER 84 Ca -0.14 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.37 1yx3 n SER 84 Cb 0.21 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1yx3 n SER 84 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1yx3 h LYS 85 N 0.00 -0.12 -0.41 -1.46 1.79 -1.85 -1.74 116.57 112.79 1yx3 h LYS 85 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1yx3 h LYS 85 Cb 0.00 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1yx3 h LYS 85 CO 0.00 -0.08 0.11 -0.92 -1.08 0.00 0.00 179.45 177.49 1yx3 h TYR 86 N -0.12 0.60 -0.47 -1.35 3.20 -1.78 -0.12 116.97 116.94 1yx3 h TYR 86 Ca 0.01 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 1yx3 h TYR 86 Cb 0.15 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 1yx3 h TYR 86 CO -0.53 0.51 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.25 1yx3 h LEU 87 N 0.59 0.97 -0.57 2.82 -0.00 -1.74 0.25 115.31 117.64 1yx3 h LEU 87 Ca 0.14 -0.39 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 1yx3 h LEU 87 Cb 0.20 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1yx3 h LEU 87 CO -0.01 1.14 -0.03 1.88 -0.00 0.00 0.00 178.44 181.43 1yx3 h TYR 88 N 0.79 0.00 0.01 1.13 0.05 -0.75 -0.70 116.97 117.51 1yx3 h TYR 88 Ca 0.11 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.65 1yx3 h TYR 88 Cb 0.75 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.46 1yx3 h TYR 88 CO 0.05 0.03 -1.23 0.77 -1.05 0.00 0.00 178.16 176.73 1yx3 h SER 89 N 0.00 0.03 0.00 3.88 0.02 -0.52 -3.27 113.55 113.69 1yx3 h SER 89 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1yx3 h SER 89 Cb 0.83 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1yx3 h SER 89 CO 0.00 1.04 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.62 1yx3 h LEU 90 N 0.01 0.03 -7.53 5.07 3.38 -0.37 -3.42 115.31 112.48 1yx3 h LEU 90 Ca -0.10 -0.90 -0.67 0.00 0.09 0.00 0.00 57.88 56.30 1yx3 h LEU 90 Cb 1.86 -0.01 -0.38 0.00 0.09 0.00 0.00 40.66 42.21 1yx3 h LEU 90 CO 0.12 0.93 -0.55 -0.36 0.09 0.00 0.00 178.44 178.67 1yx3 s PHE 91 N -2.61 3.38 -0.69 1.13 0.08 -0.28 -4.92 117.98 114.07 1yx3 s PHE 91 Ca -0.18 -2.93 0.21 0.00 0.12 0.00 0.00 56.93 54.15 1yx3 s PHE 91 Cb -0.02 -3.00 0.87 0.00 -0.57 0.00 0.00 43.02 40.30 1yx3 s PHE 91 CO 0.69 -0.82 1.65 -0.35 -0.10 0.00 0.00 175.22 176.29 1yx3 n PRO 92 N 3.53 0.13 -0.12 0.24 -0.04 -1.23 -2.03 135.00 135.48 1yx3 n PRO 92 Ca 0.05 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 1yx3 n PRO 92 Cb 0.36 -1.73 0.29 0.00 -0.04 0.00 0.00 33.50 32.37 1yx3 n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1yx3 n TYR 93 N -1.98 0.30 0.00 0.54 4.02 -1.26 -4.96 117.16 113.83 1yx3 n TYR 93 Ca 0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.77 1yx3 n TYR 93 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 1.31 2.58 0.19 2.72 0.00 -0.86 -4.72 105.19 106.42 1yx3 n GLY 94 Ca 0.17 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.22 -0.41 1.61 0.13 -1.76 -0.17 132.00 131.18 1yx3 h PRO 95 Ca 0.00 0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 1yx3 h PRO 95 Cb 0.00 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1yx3 h PRO 95 CO 0.00 -0.15 -0.29 0.00 -0.23 0.00 0.00 178.00 177.34 1yx3 h ALA 96 N -0.94 0.73 -0.04 -0.56 0.00 -1.92 -2.30 119.26 114.23 1yx3 h ALA 96 Ca 0.02 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1yx3 h ALA 96 Cb 0.28 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1yx3 h ALA 96 CO -0.19 0.66 -0.24 -0.22 0.00 0.00 0.00 179.25 179.27 1yx3 h LYS 97 N 0.74 -0.34 -0.09 0.00 3.64 -1.84 -0.34 116.57 118.35 1yx3 h LYS 97 Ca 0.09 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1yx3 h LYS 97 Cb 0.84 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1yx3 h LYS 97 CO 0.07 -0.22 -0.19 1.96 -2.27 0.00 0.00 179.45 178.80 1yx3 h GLN 98 N -0.35 0.28 -0.28 1.90 1.08 -1.06 -2.37 115.11 114.31 1yx3 h GLN 98 Ca 0.07 -0.19 0.02 0.00 -1.45 0.00 0.00 58.65 57.11 1yx3 h GLN 98 Cb 0.45 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1yx3 h GLN 98 CO -0.24 0.79 0.12 0.00 -0.95 0.00 0.00 178.83 178.55 1yx3 h ALA 99 N 0.49 0.33 -0.14 3.87 0.00 -1.28 -0.82 119.26 121.71 1yx3 h ALA 99 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1yx3 h ALA 99 Cb 0.79 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1yx3 h ALA 99 CO 0.04 -0.28 -0.48 0.00 0.00 0.00 0.00 179.25 178.53 1yx3 h ARG 101 N 0.29 0.11 0.00 0.00 2.43 -0.83 0.27 114.38 116.65 1yx3 h ARG 101 Ca 0.02 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1yx3 h ARG 101 Cb 0.95 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1yx3 h ARG 101 CO 0.08 0.11 -0.35 0.74 -1.51 0.00 0.00 179.97 179.04 1yx3 h PHE 102 N 0.07 0.00 0.00 2.20 0.04 -1.12 -1.83 116.94 116.30 1yx3 h PHE 102 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1yx3 h PHE 102 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1yx3 h PHE 102 CO -0.06 0.35 0.00 0.00 -0.60 0.00 0.00 178.31 178.00 1yx3 n ALA 103 N -2.39 2.27 -0.19 2.45 0.00 -0.87 -4.36 120.51 117.43 1yx3 n ALA 103 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yx3 n ALA 103 Cb 0.42 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.32 0.63 3.67 0.00 0.00 -0.18 -4.99 105.19 105.64 1yx3 n GLY 104 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 4.35 0.00 0.99 1.43 0.79 -4.35 118.68 121.89 1yx3 s LEU 105 Ca 0.00 2.38 -0.04 0.00 -1.03 0.00 0.00 54.13 55.44 1yx3 s LEU 105 Cb 0.00 -3.55 -0.17 0.00 0.03 0.00 0.00 46.19 42.50 1yx3 s LEU 105 CO 0.00 -0.91 2.66 -0.81 0.23 0.00 0.00 176.35 177.52 1yx3 n PRO 106 N 6.41 1.40 -0.74 1.29 -0.04 -1.26 -4.34 135.00 137.71 1yx3 n PRO 106 Ca 0.17 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 1yx3 n PRO 106 Cb 0.42 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1yx3 n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yx3 n LYS 107 N 2.42 -1.43 -2.01 0.54 5.02 -1.26 -5.00 118.16 116.44 1yx3 n LYS 107 Ca 0.27 1.24 -0.34 0.00 -2.02 0.00 0.00 58.31 57.46 1yx3 n LYS 107 Cb 0.65 -1.10 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 1yx3 n LYS 107 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1yx3 s PRO 108 N -2.83 3.09 0.28 1.97 0.02 -1.26 -4.96 135.00 131.30 1yx3 s PRO 108 Ca 0.00 1.49 0.04 0.00 0.02 0.00 0.00 61.00 62.55 1yx3 s PRO 108 Cb 0.00 -1.98 0.40 0.00 0.02 0.00 0.00 34.50 32.94 1yx3 s PRO 108 CO 0.00 -1.04 1.68 1.79 -0.33 0.00 0.00 177.00 179.10 1yx3 h THR 109 N 0.61 1.30 0.00 0.99 1.35 -1.95 -3.49 112.91 111.72 1yx3 h THR 109 Ca -0.48 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1yx3 h THR 109 Cb 1.25 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1yx3 h THR 109 CO 0.56 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1yx3 n GLY 110 N -0.19 2.38 0.46 5.82 0.00 -1.26 -4.89 105.19 107.51 1yx3 n GLY 110 Ca -0.01 -2.00 0.07 0.00 0.00 0.00 0.00 46.02 44.08 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32