#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 0.00 -4.15 3.17 0.00 0.45 -4.96 120.51 115.02 1yx3 n ALA 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1yx3 n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.98 2.35 -3.83 0.00 -0.08 -0.90 -4.93 116.55 108.17 1yx3 n ASP 3 Ca 0.00 -1.85 -0.23 0.00 -1.51 0.00 0.00 54.79 51.20 1yx3 n ASP 3 Cb 0.00 0.10 -0.17 0.00 2.34 0.00 0.00 41.12 43.39 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 -1.57 0.59 -0.14 5.18 -4.23 -1.26 -0.23 115.64 113.98 1yx3 s THR 4 Ca 0.03 -0.04 -0.20 0.00 -1.18 0.00 0.00 61.69 60.30 1yx3 s THR 4 Cb -0.00 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 1yx3 s THR 4 CO 0.02 0.29 0.58 0.27 -0.54 0.00 0.00 174.62 175.23 1yx3 s ILE 5 N 1.69 5.10 -0.50 2.99 -4.36 -0.23 -4.78 121.20 121.10 1yx3 s ILE 5 Ca 0.02 1.13 -0.21 0.00 -0.26 0.00 0.00 60.65 61.33 1yx3 s ILE 5 Cb -0.13 -3.91 0.04 0.00 1.25 0.00 0.00 42.46 39.72 1yx3 s ILE 5 CO -0.05 0.22 0.73 -0.70 0.24 0.00 0.00 174.94 175.39 1yx3 s GLU 6 N 1.19 3.23 -0.43 0.37 2.12 -1.26 -1.09 118.70 122.84 1yx3 s GLU 6 Ca 0.29 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.98 1yx3 s GLU 6 Cb -0.16 -4.05 0.09 0.00 0.26 0.00 0.00 34.13 30.28 1yx3 s GLU 6 CO 0.12 -1.26 0.26 0.08 -0.54 0.00 0.00 175.26 173.93 1yx3 s VAL 7 N 3.10 4.03 0.00 3.70 1.01 0.04 -4.90 120.40 127.38 1yx3 s VAL 7 Ca 0.22 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1yx3 s VAL 7 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1yx3 s VAL 7 CO 0.16 -0.59 0.00 0.47 0.00 0.00 0.00 175.10 175.14 1yx3 n ASP 8 N 4.85 0.00 -0.78 3.32 8.00 -1.26 -1.47 116.55 129.21 1yx3 n ASP 8 Ca -0.08 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.43 1yx3 n ASP 8 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yx3 n GLY 9 N 0.00 0.78 3.31 0.44 0.00 -1.26 -5.07 105.19 103.38 1yx3 n GLY 9 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.09 1.82 -0.36 1.61 1.02 -0.54 -5.11 119.74 118.09 1yx3 s LYS 10 Ca 0.11 -0.99 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 1yx3 s LYS 10 Cb 0.12 -1.89 0.06 0.00 -0.52 0.00 0.00 37.83 35.60 1yx3 s LYS 10 CO -0.05 0.50 0.14 -0.65 -0.92 0.00 0.00 175.35 174.37 1yx3 s GLN 11 N -0.95 2.49 -0.32 1.68 -1.52 -1.26 -0.78 119.66 119.00 1yx3 s GLN 11 Ca 0.10 -1.36 -0.18 0.00 -1.95 0.00 0.00 55.36 51.97 1yx3 s GLN 11 Cb -0.10 -3.52 -0.01 0.00 -0.22 0.00 0.00 33.01 29.17 1yx3 s GLN 11 CO 0.01 -0.79 0.49 -0.06 -0.25 0.00 0.00 175.29 174.69 1yx3 s PHE 12 N 1.34 3.20 -0.40 0.91 0.08 -0.25 -4.86 117.98 118.01 1yx3 s PHE 12 Ca 0.01 0.29 -0.28 0.00 0.12 0.00 0.00 56.93 57.06 1yx3 s PHE 12 Cb -0.21 -2.84 -0.01 0.00 -0.57 0.00 0.00 43.02 39.39 1yx3 s PHE 12 CO 0.01 -0.45 1.75 0.00 -0.10 0.00 0.00 175.22 176.43 1yx3 s ALA 13 N 2.33 2.76 0.39 5.36 0.00 -1.26 -1.07 121.76 130.27 1yx3 s ALA 13 Ca 0.18 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.24 1yx3 s ALA 13 Cb -0.16 -4.06 -0.06 0.00 0.00 0.00 0.00 23.12 18.85 1yx3 s ALA 13 CO 0.12 -2.84 0.12 0.14 0.00 0.00 0.00 175.76 173.30 1yx3 s VAL 14 N 7.08 2.35 0.65 0.00 -7.23 0.68 -0.03 120.40 123.91 1yx3 s VAL 14 Ca 0.75 -1.80 0.06 0.00 -1.81 0.00 0.00 61.98 59.17 1yx3 s VAL 14 Cb -0.19 -2.96 0.12 0.00 0.56 0.00 0.00 36.38 33.91 1yx3 s VAL 14 CO 0.31 -0.05 0.90 -0.62 -0.31 0.00 0.00 175.10 175.33 1yx3 s ASP 15 N -3.83 4.70 0.20 4.85 2.15 0.13 -0.41 116.67 124.46 1yx3 s ASP 15 Ca 0.39 -0.74 -0.11 0.00 0.43 0.00 0.00 52.55 52.51 1yx3 s ASP 15 Cb 0.04 0.34 0.13 0.00 -0.30 0.00 0.00 42.92 43.13 1yx3 s ASP 15 CO 0.21 -1.64 1.85 -0.33 -0.17 0.00 0.00 175.17 175.09 1yx3 h GLU 16 N -0.16 0.93 -0.23 4.34 4.39 -1.95 -2.43 114.58 119.47 1yx3 h GLU 16 Ca -0.31 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1yx3 h GLU 16 Cb 1.28 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1yx3 h GLU 16 CO 0.39 0.64 0.00 0.39 -1.16 0.00 0.00 179.01 179.27 1yx3 n GLU 17 N -4.57 1.73 -0.47 2.33 -0.58 -1.26 -4.90 120.64 112.92 1yx3 n GLU 17 Ca 0.06 -1.12 0.00 0.00 -0.42 0.00 0.00 57.16 55.68 1yx3 n GLU 17 Cb 0.04 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.09 0.67 2.79 0.62 0.00 -0.91 -5.11 105.19 104.33 1yx3 n GLY 18 Ca 0.14 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.32 -0.12 -0.16 1.61 2.02 -1.25 -4.77 117.35 112.37 1yx3 s TYR 19 Ca 0.00 0.50 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 1yx3 s TYR 19 Cb 0.00 -0.32 -0.02 0.00 -0.40 0.00 0.00 41.96 41.22 1yx3 s TYR 19 CO 0.00 -0.26 1.35 -0.48 -1.57 0.00 0.00 175.55 174.59 1yx3 s LEU 20 N 2.26 4.18 0.47 -1.29 2.34 -1.26 0.22 118.68 125.59 1yx3 s LEU 20 Ca 0.04 1.76 0.30 0.00 0.06 0.00 0.00 54.13 56.28 1yx3 s LEU 20 Cb -0.12 -3.54 1.06 0.00 -0.56 0.00 0.00 46.19 43.03 1yx3 s LEU 20 CO -0.05 -0.83 1.85 0.28 -1.06 0.00 0.00 176.35 176.54 1yx3 h SER 21 N 8.61 0.00 -2.76 1.48 0.02 -0.75 -3.36 113.55 116.79 1yx3 h SER 21 Ca -0.29 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 59.95 1yx3 h SER 21 Cb 1.12 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.47 1yx3 h SER 21 CO 0.97 0.00 0.59 0.21 -1.14 0.00 0.00 176.83 177.46 1yx3 s ASN 22 N -5.54 6.58 -1.14 3.07 3.84 -1.24 -4.97 114.94 115.54 1yx3 s ASN 22 Ca 0.03 -2.03 -0.20 0.00 0.21 0.00 0.00 52.86 50.87 1yx3 s ASN 22 Cb 0.08 -2.35 0.07 0.00 -0.55 0.00 0.00 41.25 38.50 1yx3 s ASN 22 CO 0.55 -1.00 1.55 -0.76 -2.79 0.00 0.00 177.10 174.65 1yx3 s LEU 23 N 2.28 3.78 0.02 3.21 1.43 -1.26 -4.29 118.68 123.86 1yx3 s LEU 23 Ca 0.27 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.41 1yx3 s LEU 23 Cb -0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1yx3 s LEU 23 CO -0.06 -1.32 0.00 -3.20 0.23 0.00 0.00 176.35 172.00 1yx3 n ASN 24 N 8.43 -0.20 -2.13 2.29 5.15 -1.26 -4.98 115.26 122.56 1yx3 n ASN 24 Ca 0.39 0.05 -0.22 0.00 -0.60 0.00 0.00 54.58 54.20 1yx3 n ASN 24 Cb 0.49 0.61 0.01 0.00 -0.53 0.00 0.00 39.78 40.36 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 -2.55 6.61 -4.65 1.20 2.03 -1.26 -4.92 116.55 113.01 1yx3 n ASP 25 Ca 0.00 -3.19 -0.42 0.00 0.52 0.00 0.00 54.79 51.70 1yx3 n ASP 25 Cb 0.00 -1.10 -0.03 0.00 -0.72 0.00 0.00 41.12 39.27 1yx3 n ASP 25 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1yx3 s TRP 26 N -2.01 1.89 0.29 -0.67 -0.00 -1.26 -4.99 118.94 112.18 1yx3 s TRP 26 Ca 0.43 0.23 0.11 0.00 -0.00 0.00 0.00 56.10 56.88 1yx3 s TRP 26 Cb 0.31 -3.97 -0.05 0.00 -0.00 0.00 0.00 33.47 29.76 1yx3 s TRP 26 CO -0.08 -3.82 -0.17 0.14 -0.00 0.00 0.00 176.95 173.03 1yx3 s VAL 27 N 4.64 2.51 0.39 5.86 -7.23 -1.26 -5.03 120.40 120.28 1yx3 s VAL 27 Ca 0.76 -2.34 0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1yx3 s VAL 27 Cb -0.32 -2.40 0.36 0.00 0.56 0.00 0.00 36.38 34.58 1yx3 s VAL 27 CO 0.31 -0.36 1.84 -0.65 -0.31 0.00 0.00 175.10 175.92 1yx3 h PRO 28 N 2.20 0.49 -0.70 4.82 0.11 -1.99 -0.07 132.00 136.86 1yx3 h PRO 28 Ca -0.41 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 65.76 1yx3 h PRO 28 Cb 1.26 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1yx3 h PRO 28 CO 0.62 0.32 0.46 0.78 -0.21 0.00 0.00 178.00 179.97 1yx3 h GLY 29 N 0.50 0.85 0.93 -0.55 0.00 -1.99 0.87 103.07 103.68 1yx3 h GLY 29 Ca 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1yx3 h GLY 29 CO -0.22 0.16 0.13 -2.08 0.00 0.00 0.00 176.54 174.52 1yx3 h VAL 30 N 0.62 1.15 -0.60 4.60 2.07 -1.38 -0.98 116.25 121.73 1yx3 h VAL 30 Ca 0.32 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 1yx3 h VAL 30 Cb 0.43 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1yx3 h VAL 30 CO -0.11 0.15 -0.02 0.00 0.02 0.00 0.00 177.57 177.61 1yx3 h ALA 31 N 0.99 0.82 0.06 1.67 0.00 -1.28 0.43 119.26 121.95 1yx3 h ALA 31 Ca 0.09 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1yx3 h ALA 31 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1yx3 h ALA 31 CO -0.01 0.67 -0.08 -0.44 0.00 0.00 0.00 179.25 179.40 1yx3 h ASP 32 N 0.97 -0.21 -0.69 0.00 3.32 -0.68 0.12 116.42 119.25 1yx3 h ASP 32 Ca 0.17 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1yx3 h ASP 32 Cb 0.59 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 1yx3 h ASP 32 CO 0.04 -0.12 0.17 0.58 -1.72 0.00 0.00 179.24 178.18 1yx3 h VAL 33 N -0.16 1.26 -0.18 -1.35 2.07 -1.07 -0.24 116.25 116.58 1yx3 h VAL 33 Ca 0.01 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1yx3 h VAL 33 Cb 0.17 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1yx3 h VAL 33 CO -0.03 0.37 0.09 -0.03 0.02 0.00 0.00 177.57 177.98 1yx3 h MET 34 N 1.04 0.18 0.00 1.57 1.85 -0.64 -1.66 114.93 117.27 1yx3 h MET 34 Ca 0.22 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.24 1yx3 h MET 34 Cb 0.37 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.35 1yx3 h MET 34 CO 0.00 0.12 -0.27 0.00 -0.40 0.00 0.00 176.91 176.37 1yx3 h ALA 35 N 1.09 1.35 0.00 0.39 0.00 -0.57 -1.90 119.26 119.63 1yx3 h ALA 35 Ca 0.07 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1yx3 h ALA 35 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yx3 h ALA 35 CO -0.05 0.33 -0.35 -0.22 0.00 0.00 0.00 179.25 178.96 1yx3 h LYS 36 N 0.00 0.00 -0.02 0.00 3.64 -0.27 0.16 116.57 120.08 1yx3 h LYS 36 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1yx3 h LYS 36 Cb 0.54 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1yx3 h LYS 36 CO 0.03 0.35 -0.44 1.96 -2.27 0.00 0.00 179.45 179.08 1yx3 h GLN 37 N 0.00 0.34 0.00 1.90 1.08 -0.51 -3.26 115.11 114.66 1yx3 h GLN 37 Ca -0.00 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 1yx3 h GLN 37 Cb 0.81 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1yx3 h GLN 37 CO 0.04 1.01 -0.12 -3.47 -0.95 0.00 0.00 178.83 175.35 1yx3 n ASP 38 N -4.34 0.75 -2.46 1.46 2.03 -1.06 -4.96 116.55 107.97 1yx3 n ASP 38 Ca -0.10 0.48 -0.00 0.00 0.52 0.00 0.00 54.79 55.69 1yx3 n ASP 38 Cb 0.59 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1yx3 n ASP 38 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1yx3 n ASN 39 N -2.19 -5.63 -3.32 1.67 3.02 0.42 -5.07 115.26 104.17 1yx3 n ASN 39 Ca 0.05 -0.01 -0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1yx3 n ASN 39 Cb 0.43 -3.69 -0.07 0.00 -0.61 0.00 0.00 39.78 35.84 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1yx3 s LEU 40 N -3.14 -0.76 -0.16 3.41 0.20 -0.33 -5.03 118.68 112.86 1yx3 s LEU 40 Ca 0.01 0.16 -0.29 0.00 0.69 0.00 0.00 54.13 54.70 1yx3 s LEU 40 Cb -0.00 1.24 -0.02 0.00 -0.43 0.00 0.00 46.19 46.98 1yx3 s LEU 40 CO 0.47 -0.31 1.35 -0.70 -0.29 0.00 0.00 176.35 176.87 1yx3 s GLU 41 N 2.58 4.17 -0.42 1.98 2.12 -1.26 -4.60 118.70 123.27 1yx3 s GLU 41 Ca 0.13 1.71 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 1yx3 s GLU 41 Cb -0.15 -3.83 0.01 0.00 0.26 0.00 0.00 34.13 30.42 1yx3 s GLU 41 CO -0.20 -0.80 1.41 -0.51 -0.54 0.00 0.00 175.26 174.62 1yx3 s LEU 42 N 3.77 3.58 0.00 2.70 1.43 -1.26 -4.98 118.68 123.93 1yx3 s LEU 42 Ca 0.59 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.58 1yx3 s LEU 42 Cb -0.23 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.53 1yx3 s LEU 42 CO 0.19 -1.44 0.63 0.41 0.23 0.00 0.00 176.35 176.37 1yx3 n THR 43 N 7.09 0.00 -0.28 5.49 -1.04 -1.26 -4.83 114.28 119.44 1yx3 n THR 43 Ca 0.16 -1.66 0.05 0.00 -2.04 0.00 0.00 64.05 60.57 1yx3 n THR 43 Cb 0.48 -0.52 0.20 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.61 -0.39 -2.82 5.08 -1.98 0.15 114.58 115.22 1yx3 h GLU 44 Ca -0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1yx3 h GLU 44 Cb 1.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1yx3 h GLU 44 CO 0.34 0.40 0.26 0.93 -1.00 0.00 0.00 179.01 179.94 1yx3 h GLU 45 N 0.63 0.52 -0.18 2.33 3.07 -1.99 -0.05 114.58 118.91 1yx3 h GLU 45 Ca 0.43 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 1yx3 h GLU 45 Cb 0.56 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1yx3 h GLU 45 CO -0.34 0.35 0.03 0.45 -1.40 0.00 0.00 179.01 178.10 1yx3 h HIS 46 N 0.53 0.31 -0.95 4.33 3.86 -1.52 -2.59 115.15 119.13 1yx3 h HIS 46 Ca 0.14 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1yx3 h HIS 46 Cb -0.05 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.28 1yx3 h HIS 46 CO -0.05 0.46 0.62 -1.49 0.86 0.00 0.00 177.93 178.33 1yx3 h TRP 47 N 0.08 1.16 -0.78 2.45 4.06 -0.60 0.76 115.95 123.08 1yx3 h TRP 47 Ca 0.05 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.99 1yx3 h TRP 47 Cb 0.31 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.05 1yx3 h TRP 47 CO 0.02 0.69 0.34 0.22 -3.56 0.00 0.00 178.44 176.14 1yx3 h ASP 48 N 1.21 1.06 -0.14 -3.49 3.58 -0.82 0.24 116.42 118.06 1yx3 h ASP 48 Ca 0.37 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1yx3 h ASP 48 Cb -0.03 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1yx3 h ASP 48 CO -0.11 0.92 -0.27 0.40 -2.88 0.00 0.00 179.24 177.31 1yx3 h ILE 49 N 1.12 1.36 -0.20 2.25 1.08 -1.01 -1.63 117.51 120.48 1yx3 h ILE 49 Ca 0.26 -1.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.20 1yx3 h ILE 49 Cb 0.18 2.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1yx3 h ILE 49 CO -0.03 0.45 0.09 0.40 -0.69 0.00 0.00 178.15 178.38 1yx3 h ILE 50 N 0.04 1.15 -0.14 -0.67 2.04 -0.64 -1.14 117.51 118.16 1yx3 h ILE 50 Ca 0.01 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 1yx3 h ILE 50 Cb 0.86 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1yx3 h ILE 50 CO 0.06 0.15 -0.32 -1.13 0.00 0.00 0.00 178.15 176.91 1yx3 h ASN 51 N 0.19 0.27 -0.42 1.72 -1.24 -0.60 -0.63 115.58 114.87 1yx3 h ASN 51 Ca 0.07 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1yx3 h ASN 51 Cb 0.15 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1yx3 h ASN 51 CO -0.01 0.58 0.27 0.15 -1.29 0.00 0.00 177.43 177.14 1yx3 h PHE 52 N 0.23 0.53 -0.60 0.67 3.57 -0.94 -0.79 116.94 119.61 1yx3 h PHE 52 Ca 0.03 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1yx3 h PHE 52 Cb 0.68 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1yx3 h PHE 52 CO 0.01 0.35 0.15 -0.07 -2.23 0.00 0.00 178.31 176.51 1yx3 h LEU 53 N 0.56 0.87 0.33 0.59 3.38 -0.69 0.13 115.31 120.49 1yx3 h LEU 53 Ca 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yx3 h LEU 53 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1yx3 h LEU 53 CO -0.03 0.84 -0.32 -0.09 0.09 0.00 0.00 178.44 178.93 1yx3 h ARG 54 N 0.89 -0.65 0.00 1.13 2.43 -0.58 -1.12 114.38 116.48 1yx3 h ARG 54 Ca 0.19 0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1yx3 h ARG 54 Cb 0.32 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1yx3 h ARG 54 CO -0.00 -0.44 -0.27 0.93 -1.51 0.00 0.00 179.97 178.68 1yx3 h GLU 55 N -0.68 0.00 -0.48 0.20 5.08 -1.01 0.18 114.58 117.86 1yx3 h GLU 55 Ca -0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1yx3 h GLU 55 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1yx3 h GLU 55 CO -0.05 0.27 0.20 -0.92 -1.00 0.00 0.00 179.01 177.50 1yx3 h TYR 56 N 0.00 0.73 -0.07 4.33 5.03 -0.48 0.11 116.97 126.62 1yx3 h TYR 56 Ca -0.00 -0.05 -0.18 0.00 2.58 0.00 0.00 58.73 61.07 1yx3 h TYR 56 Cb 0.82 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.88 1yx3 h TYR 56 CO 0.00 0.61 -0.73 -0.92 -1.32 0.00 0.00 178.16 175.80 1yx3 h TYR 57 N 0.64 0.52 -0.34 -3.82 3.20 -0.76 0.13 116.97 116.55 1yx3 h TYR 57 Ca 0.16 -0.23 0.04 0.00 3.14 0.00 0.00 58.73 61.84 1yx3 h TYR 57 Cb 0.18 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1yx3 h TYR 57 CO 0.00 0.99 0.11 1.49 -1.64 0.00 0.00 178.16 179.11 1yx3 h GLU 58 N 0.26 0.24 0.00 1.82 4.57 -0.27 0.80 114.58 122.00 1yx3 h GLU 58 Ca -0.03 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1yx3 h GLU 58 Cb 1.31 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1yx3 h GLU 58 CO 0.12 0.16 -0.34 0.93 -1.18 0.00 0.00 179.01 178.70 1yx3 h GLU 59 N 0.25 0.00 0.00 1.92 5.08 -0.78 -3.40 114.58 117.65 1yx3 h GLU 59 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1yx3 h GLU 59 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1yx3 h GLU 59 CO -0.17 0.39 -0.82 0.66 -1.00 0.00 0.00 179.01 178.08 1yx3 n TYR 60 N -4.64 0.26 -2.30 4.33 4.01 0.46 -4.95 117.16 114.34 1yx3 n TYR 60 Ca -0.09 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1yx3 n TYR 60 Cb 0.29 -0.43 -0.02 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 -1.87 -1.66 -4.17 -0.72 3.00 0.27 -4.98 117.38 107.25 1yx3 n GLN 61 Ca 0.03 1.04 -0.16 0.00 -0.01 0.00 0.00 57.00 57.90 1yx3 n GLN 61 Cb 0.41 -5.67 -0.14 0.00 0.00 0.00 0.00 30.24 24.84 1yx3 n GLN 61 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 1yx3 s ILE 62 N -3.00 0.46 -0.33 5.09 2.07 -1.26 -5.00 121.20 119.23 1yx3 s ILE 62 Ca 0.00 -0.34 -0.15 0.00 -1.41 0.00 0.00 60.65 58.75 1yx3 s ILE 62 Cb 0.00 -0.41 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1yx3 s ILE 62 CO 0.00 0.07 0.34 0.00 -1.91 0.00 0.00 174.94 173.44 1yx3 s ALA 63 N -0.28 3.51 0.09 1.50 0.00 -1.26 -4.13 121.76 121.19 1yx3 s ALA 63 Ca 0.01 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 1yx3 s ALA 63 Cb -0.03 -2.77 -0.06 0.00 0.00 0.00 0.00 23.12 20.27 1yx3 s ALA 63 CO -0.00 -0.96 1.05 -1.25 0.00 0.00 0.00 175.76 174.59 1yx3 s PRO 64 N 1.98 4.59 1.08 0.00 0.04 -1.26 -4.79 135.00 136.64 1yx3 s PRO 64 Ca 0.11 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 1yx3 s PRO 64 Cb -0.16 -3.37 0.23 0.00 0.04 0.00 0.00 34.50 31.24 1yx3 s PRO 64 CO 0.11 0.02 1.09 0.00 0.04 0.00 0.00 177.00 178.27 1yx3 s ALA 65 N 0.39 0.72 0.20 8.56 0.00 -1.26 -4.53 121.76 125.85 1yx3 s ALA 65 Ca 0.51 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 1yx3 s ALA 65 Cb -0.25 -3.05 0.26 0.00 0.00 0.00 0.00 23.12 20.08 1yx3 s ALA 65 CO 0.31 -3.16 1.70 0.28 0.00 0.00 0.00 175.76 174.89 1yx3 h VAL 66 N -2.17 0.64 -0.55 0.00 2.07 -1.96 0.32 116.25 114.60 1yx3 h VAL 66 Ca -0.52 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 66.93 1yx3 h VAL 66 Cb 1.32 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1yx3 h VAL 66 CO 0.51 0.04 0.36 0.03 0.02 0.00 0.00 177.57 178.53 1yx3 h ARG 67 N 0.22 0.71 -0.19 1.57 3.08 -1.99 -1.26 114.38 116.53 1yx3 h ARG 67 Ca 0.30 -0.04 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 1yx3 h ARG 67 Cb 0.44 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1yx3 h ARG 67 CO -0.40 0.47 -0.55 0.28 -1.07 0.00 0.00 179.97 178.70 1yx3 h VAL 68 N 0.73 1.31 -0.80 2.04 2.07 -1.58 -3.16 116.25 116.86 1yx3 h VAL 68 Ca 0.21 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 1yx3 h VAL 68 Cb -0.07 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 1yx3 h VAL 68 CO -0.05 0.56 0.40 0.25 0.02 0.00 0.00 177.57 178.75 1yx3 h LEU 69 N 0.40 1.02 -1.37 2.57 5.85 -0.24 0.45 115.31 123.99 1yx3 h LEU 69 Ca -0.01 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1yx3 h LEU 69 Cb 1.17 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1yx3 h LEU 69 CO 0.12 0.85 0.49 0.74 -0.34 0.00 0.00 178.44 180.30 1yx3 h THR 70 N 1.13 0.99 0.15 1.05 2.02 -1.20 0.37 112.91 117.43 1yx3 h THR 70 Ca 0.28 -0.26 -0.27 0.00 0.77 0.00 0.00 66.41 66.93 1yx3 h THR 70 Cb 0.08 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1yx3 h THR 70 CO -0.04 0.14 -1.31 0.11 0.37 0.00 0.00 175.52 174.79 1yx3 h LYS 71 N 0.74 0.32 -0.57 6.66 1.57 -1.39 -3.27 116.57 120.63 1yx3 h LYS 71 Ca 0.33 -0.54 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1yx3 h LYS 71 Cb 0.33 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1yx3 h LYS 71 CO -0.12 1.26 -0.05 0.00 -0.57 0.00 0.00 179.45 179.97 1yx3 h ALA 72 N 0.03 0.82 0.00 3.86 0.00 -0.57 -2.39 119.26 121.01 1yx3 h ALA 72 Ca -0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1yx3 h ALA 72 Cb 1.83 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1yx3 h ALA 72 CO 0.13 0.67 -0.09 0.28 0.00 0.00 0.00 179.25 180.24 1yx3 h VAL 73 N 0.94 0.35 -0.41 0.00 2.07 -0.42 -2.95 116.25 115.84 1yx3 h VAL 73 Ca 0.16 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.24 1yx3 h VAL 73 Cb 0.61 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 1yx3 h VAL 73 CO 0.04 0.09 0.06 1.23 0.02 0.00 0.00 177.57 179.01 1yx3 h GLY 74 N 1.11 0.47 2.00 2.17 0.00 -1.47 -0.07 103.07 107.28 1yx3 h GLY 74 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1yx3 h GLY 74 CO 0.01 -0.06 0.00 0.50 0.00 0.00 0.00 176.54 176.99 1yx3 h LYS 75 N 0.18 0.00 0.08 4.80 1.57 -1.64 0.21 116.57 121.77 1yx3 h LYS 75 Ca 0.20 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.67 1yx3 h LYS 75 Cb 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1yx3 h LYS 75 CO -0.28 0.00 -1.70 -0.22 -0.57 0.00 0.00 179.45 176.68 1yx3 h LYS 76 N 0.00 0.18 0.00 3.15 1.63 -1.18 -3.35 116.57 117.00 1yx3 h LYS 76 Ca 0.00 -0.30 -0.05 0.00 -0.85 0.00 0.00 60.65 59.45 1yx3 h LYS 76 Cb 0.26 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 1yx3 h LYS 76 CO 0.00 0.96 -0.87 -0.07 -3.45 0.00 0.00 179.45 176.02 1yx3 h LEU 77 N 0.05 0.00 0.00 5.20 -0.00 -0.58 -3.50 115.31 116.48 1yx3 h LEU 77 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 1yx3 h LEU 77 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.67 1yx3 h LEU 77 CO 0.12 0.18 0.00 0.61 -0.00 0.00 0.00 178.44 179.35 1yx3 n GLY 78 N 1.22 0.15 0.00 0.83 0.00 0.68 -4.38 105.19 103.69 1yx3 n GLY 78 Ca -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1yx3 n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yx3 n LYS 79 N 0.00 1.92 0.09 1.61 4.01 -1.26 -4.23 118.16 120.30 1yx3 n LYS 79 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.76 1yx3 n LYS 79 Cb 0.00 -0.96 -0.02 0.00 -0.51 0.00 0.00 35.03 33.54 1yx3 n LYS 79 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1yx3 h GLU 80 N 0.00 -0.28 0.00 1.97 4.81 -1.93 -3.48 114.58 115.68 1yx3 h GLU 80 Ca 0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1yx3 h GLU 80 Cb 0.41 0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.87 1yx3 h GLU 80 CO 0.00 -0.19 0.03 1.63 -0.73 0.00 0.00 179.01 179.75 1yx3 n LYS 81 N -4.21 0.31 0.00 1.92 5.02 -1.26 -4.88 118.16 115.06 1yx3 n LYS 81 Ca -0.04 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 55.87 1yx3 n LYS 81 Cb 0.11 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.99 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yx3 n GLY 82 N 3.78 0.45 1.02 0.72 0.00 -1.26 -4.55 105.19 105.36 1yx3 n GLY 82 Ca 0.03 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -6.13 -0.01 1.61 2.85 -1.26 -4.18 115.26 108.15 1yx3 n ASN 83 Ca 0.00 0.73 -0.21 0.00 -0.11 0.00 0.00 54.58 54.99 1yx3 n ASN 83 Cb 0.00 -3.30 -0.14 0.00 1.24 0.00 0.00 39.78 37.59 1yx3 n ASN 83 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1yx3 h SER 84 N -0.98 0.32 -0.83 1.20 4.64 -1.99 -3.34 113.55 112.57 1yx3 h SER 84 Ca -0.06 -0.84 0.04 0.00 -0.47 0.00 0.00 61.79 60.46 1yx3 h SER 84 Cb 0.96 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.89 1yx3 h SER 84 CO 0.03 1.54 0.53 0.11 -0.87 0.00 0.00 176.83 178.17 1yx3 h LYS 85 N -0.44 0.99 -0.55 4.77 1.57 -1.99 0.93 116.57 121.85 1yx3 h LYS 85 Ca -0.27 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1yx3 h LYS 85 Cb 1.64 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 1yx3 h LYS 85 CO 0.03 0.65 0.34 -0.92 -0.57 0.00 0.00 179.45 178.98 1yx3 h TYR 86 N 1.02 0.63 -0.02 -1.35 5.03 -1.74 0.16 116.97 120.70 1yx3 h TYR 86 Ca 0.33 0.02 -0.14 0.00 2.58 0.00 0.00 58.73 61.52 1yx3 h TYR 86 Cb 0.03 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 1yx3 h TYR 86 CO -0.03 0.37 -0.63 -0.07 -1.32 0.00 0.00 178.16 176.48 1yx3 h LEU 87 N 0.67 0.07 -0.56 2.82 3.38 -1.43 -1.64 115.31 118.63 1yx3 h LEU 87 Ca 0.22 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1yx3 h LEU 87 Cb -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1yx3 h LEU 87 CO -0.08 0.69 -0.58 1.88 0.09 0.00 0.00 178.44 180.43 1yx3 h TYR 88 N 0.04 0.55 0.00 1.13 0.05 -0.26 0.15 116.97 118.64 1yx3 h TYR 88 Ca -0.01 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1yx3 h TYR 88 Cb 1.13 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.77 1yx3 h TYR 88 CO 0.01 0.91 0.00 0.66 -1.05 0.00 0.00 178.16 178.69 1yx3 h SER 89 N 0.33 0.00 0.00 3.88 4.64 -0.48 -3.15 113.55 118.76 1yx3 h SER 89 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yx3 h SER 89 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1yx3 h SER 89 CO 0.10 0.00 -0.00 -0.07 -0.87 0.00 0.00 176.83 175.99 1yx3 h LEU 90 N 0.00 -0.00 -7.61 5.97 3.38 -0.88 -3.45 115.31 112.72 1yx3 h LEU 90 Ca 0.00 -0.57 -0.64 0.00 0.09 0.00 0.00 57.88 56.76 1yx3 h LEU 90 Cb 0.64 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.00 1yx3 h LEU 90 CO 0.00 0.78 -0.76 -0.36 0.09 0.00 0.00 178.44 178.19 1yx3 s PHE 91 N -1.98 3.00 0.19 1.13 0.08 0.50 -5.02 117.98 115.89 1yx3 s PHE 91 Ca -0.11 -2.37 -0.11 0.00 0.12 0.00 0.00 56.93 54.46 1yx3 s PHE 91 Cb -0.02 -2.23 0.11 0.00 -0.57 0.00 0.00 43.02 40.32 1yx3 s PHE 91 CO 0.40 -0.88 1.79 -1.35 -0.10 0.00 0.00 175.22 175.08 1yx3 h PRO 92 N 7.80 0.95 0.00 0.24 0.11 -1.83 -2.52 132.00 136.76 1yx3 h PRO 92 Ca -0.11 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1yx3 h PRO 92 Cb 1.03 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1yx3 h PRO 92 CO 0.48 0.74 0.00 0.66 -0.21 0.00 0.00 178.00 179.66 1yx3 n TYR 93 N -4.49 0.00 0.00 0.65 4.01 -1.26 -4.86 117.16 111.21 1yx3 n TYR 93 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1yx3 n TYR 93 Cb 0.11 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.70 3.62 0.37 2.72 0.00 -0.95 -4.80 105.19 106.85 1yx3 n GLY 94 Ca 0.19 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.55 -0.33 1.61 0.11 -1.76 -0.41 132.00 130.68 1yx3 h PRO 95 Ca 0.00 0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.02 1yx3 h PRO 95 Cb 0.00 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1yx3 h PRO 95 CO 0.00 -0.37 -0.30 0.00 -0.21 0.00 0.00 178.00 177.12 1yx3 h ALA 96 N -0.75 0.87 0.04 -0.75 0.00 -1.91 -2.48 119.26 114.27 1yx3 h ALA 96 Ca -0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1yx3 h ALA 96 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yx3 h ALA 96 CO -0.24 0.63 -0.02 0.87 0.00 0.00 0.00 179.25 180.50 1yx3 h LYS 97 N 0.59 -0.05 -0.39 0.00 1.57 -1.82 0.13 116.57 116.59 1yx3 h LYS 97 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1yx3 h LYS 97 Cb 0.80 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1yx3 h LYS 97 CO 0.07 0.17 -0.25 1.96 -0.57 0.00 0.00 179.45 180.83 1yx3 h GLN 98 N -0.26 0.86 -0.29 3.15 1.08 -1.15 -1.91 115.11 116.59 1yx3 h GLN 98 Ca -0.01 -0.40 -0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1yx3 h GLN 98 Cb 0.24 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1yx3 h GLN 98 CO 0.01 1.05 0.16 0.00 -0.95 0.00 0.00 178.83 179.10 1yx3 h ALA 99 N 0.80 0.37 0.00 3.87 0.00 -1.30 -1.96 119.26 121.03 1yx3 h ALA 99 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1yx3 h ALA 99 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1yx3 h ALA 99 CO 0.07 -0.11 -0.28 0.00 0.00 0.00 0.00 179.25 178.93 1yx3 h ARG 101 N 0.00 1.10 0.00 0.00 2.43 -0.63 0.40 114.38 117.68 1yx3 h ARG 101 Ca -0.00 -0.32 -0.20 0.00 -0.81 0.00 0.00 59.98 58.65 1yx3 h ARG 101 Cb 0.68 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.08 1yx3 h ARG 101 CO 0.04 1.03 -0.93 0.74 -1.51 0.00 0.00 179.97 179.34 1yx3 h PHE 102 N 1.02 0.00 0.00 2.20 0.04 -1.08 -3.11 116.94 116.00 1yx3 h PHE 102 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 1yx3 h PHE 102 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1yx3 h PHE 102 CO 0.04 0.93 0.00 0.00 -0.60 0.00 0.00 178.31 178.68 1yx3 h ALA 103 N 1.07 1.00 0.00 2.45 0.00 -1.00 -3.35 119.26 119.43 1yx3 h ALA 103 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yx3 h ALA 103 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1yx3 h ALA 103 CO 0.12 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1yx3 n GLY 104 N 1.15 0.66 3.77 0.00 0.00 0.11 -4.99 105.19 105.89 1yx3 n GLY 104 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 4.39 0.27 0.99 1.43 0.69 -4.49 118.68 121.96 1yx3 s LEU 105 Ca 0.00 2.21 -0.31 0.00 -1.03 0.00 0.00 54.13 55.00 1yx3 s LEU 105 Cb 0.00 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.26 1yx3 s LEU 105 CO 0.00 -0.30 1.56 -0.81 0.23 0.00 0.00 176.35 177.03 1yx3 n PRO 106 N 0.69 2.55 -1.55 1.29 -0.04 -1.26 -4.48 135.00 132.20 1yx3 n PRO 106 Ca 0.01 0.91 -0.52 0.00 -0.04 0.00 0.00 63.50 63.86 1yx3 n PRO 106 Cb 0.46 -2.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 1yx3 n PRO 106 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1yx3 n LYS 107 N 2.30 1.30 -0.33 0.54 2.85 -1.26 -4.82 118.16 118.75 1yx3 n LYS 107 Ca 0.10 0.42 -0.04 0.00 -1.05 0.00 0.00 58.31 57.74 1yx3 n LYS 107 Cb 0.35 -2.41 0.02 0.00 -0.65 0.00 0.00 35.03 32.34 1yx3 n LYS 107 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1yx3 n PRO 108 N 7.26 1.19 -3.63 -1.58 -0.04 -1.26 -4.61 135.00 132.33 1yx3 n PRO 108 Ca 0.34 -0.42 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 1yx3 n PRO 108 Cb 0.22 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1yx3 s THR 109 N -0.52 0.52 0.00 0.52 2.01 -1.26 -4.31 115.64 112.60 1yx3 s THR 109 Ca 0.08 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.70 1yx3 s THR 109 Cb 0.07 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 71.18 1yx3 s THR 109 CO 0.01 -0.77 0.00 0.61 -0.69 0.00 0.00 174.62 173.78 1yx3 n GLY 110 N 4.69 0.40 2.91 4.40 0.00 -1.26 -5.03 105.19 111.29 1yx3 n GLY 110 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32