#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 3.32 0.72 -5.12 0.00 -1.26 -5.02 121.76 114.40 1yx3 s ALA 2 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.33 1yx3 s ALA 2 Cb 0.00 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1yx3 s ALA 2 CO 0.00 0.09 1.10 0.34 0.00 0.00 0.00 175.76 177.29 1yx3 s ASP 3 N -0.42 4.75 0.08 0.00 2.15 -1.26 -4.80 116.67 117.18 1yx3 s ASP 3 Ca 0.42 1.90 0.10 0.00 0.43 0.00 0.00 52.55 55.40 1yx3 s ASP 3 Cb -0.23 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 1yx3 s ASP 3 CO 0.28 -1.87 -0.26 0.42 -0.17 0.00 0.00 175.17 173.57 1yx3 s THR 4 N -2.66 2.24 -0.17 1.71 -4.23 -1.26 -2.40 115.64 108.87 1yx3 s THR 4 Ca 0.64 -1.55 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 1yx3 s THR 4 Cb -0.19 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1yx3 s THR 4 CO 0.50 0.23 0.63 0.27 -0.54 0.00 0.00 174.62 175.71 1yx3 s ILE 5 N -0.93 5.04 -0.47 2.99 -4.36 0.36 -4.81 121.20 119.01 1yx3 s ILE 5 Ca 0.13 1.22 -0.18 0.00 -0.26 0.00 0.00 60.65 61.56 1yx3 s ILE 5 Cb -0.10 -3.95 0.05 0.00 1.25 0.00 0.00 42.46 39.70 1yx3 s ILE 5 CO 0.04 0.15 0.53 -0.70 0.24 0.00 0.00 174.94 175.21 1yx3 s GLU 6 N 1.61 3.10 -0.33 0.37 2.12 -1.26 -0.72 118.70 123.59 1yx3 s GLU 6 Ca 0.30 -0.90 -0.03 0.00 0.36 0.00 0.00 54.97 54.70 1yx3 s GLU 6 Cb -0.16 -4.06 0.06 0.00 0.26 0.00 0.00 34.13 30.23 1yx3 s GLU 6 CO 0.12 -1.07 0.07 0.08 -0.54 0.00 0.00 175.26 173.92 1yx3 s VAL 7 N 2.32 3.23 0.00 3.70 1.01 0.30 -4.59 120.40 126.38 1yx3 s VAL 7 Ca 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1yx3 s VAL 7 Cb -0.19 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1yx3 s VAL 7 CO 0.12 -0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.29 1yx3 n ASP 8 N 4.66 0.00 0.00 3.32 2.03 -1.26 -1.71 116.55 123.59 1yx3 n ASP 8 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1yx3 n ASP 8 Cb 0.43 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 -2.00 1.95 3.77 0.27 0.00 -1.26 -5.10 105.19 102.82 1yx3 n GLY 9 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 4.47 -0.33 1.61 1.02 -0.69 -5.02 119.74 120.80 1yx3 s LYS 10 Ca 0.00 1.03 -0.10 0.00 0.02 0.00 0.00 55.97 56.92 1yx3 s LYS 10 Cb 0.00 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 1yx3 s LYS 10 CO 0.00 0.49 0.16 -0.65 -0.92 0.00 0.00 175.35 174.43 1yx3 s GLN 11 N -0.79 3.16 -0.25 1.68 -0.21 -1.26 -0.54 119.66 121.46 1yx3 s GLN 11 Ca 0.35 -0.84 -0.16 0.00 0.02 0.00 0.00 55.36 54.73 1yx3 s GLN 11 Cb -0.21 -3.59 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 1yx3 s GLN 11 CO 0.23 -0.50 0.42 -0.06 -2.12 0.00 0.00 175.29 173.27 1yx3 s PHE 12 N 1.58 3.29 0.01 0.91 0.40 0.11 -4.87 117.98 119.40 1yx3 s PHE 12 Ca 0.04 0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 56.60 1yx3 s PHE 12 Cb -0.18 -2.60 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 1yx3 s PHE 12 CO 0.06 -0.19 1.76 0.00 0.70 0.00 0.00 175.22 177.55 1yx3 s ALA 13 N 1.94 3.63 0.14 5.36 0.00 -1.26 -0.49 121.76 131.08 1yx3 s ALA 13 Ca 0.18 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.33 1yx3 s ALA 13 Cb -0.15 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 1yx3 s ALA 13 CO 0.09 -1.39 -0.14 0.14 0.00 0.00 0.00 175.76 174.46 1yx3 s VAL 14 N 3.84 1.43 0.39 0.00 -7.23 -1.01 -1.04 120.40 116.78 1yx3 s VAL 14 Ca 0.78 -1.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1yx3 s VAL 14 Cb -0.38 -1.67 0.08 0.00 0.56 0.00 0.00 36.38 34.97 1yx3 s VAL 14 CO 0.34 -0.46 0.53 0.47 -0.31 0.00 0.00 175.10 175.68 1yx3 n ASP 15 N 0.32 0.81 0.23 4.85 8.00 -0.53 -3.99 116.55 126.24 1yx3 n ASP 15 Ca -0.14 -1.66 0.08 0.00 0.71 0.00 0.00 54.79 53.78 1yx3 n ASP 15 Cb 0.58 -0.34 0.57 0.00 -0.02 0.00 0.00 41.12 41.91 1yx3 n ASP 15 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1yx3 h GLU 16 N 0.00 0.00 -0.03 -1.24 4.39 -1.94 -0.11 114.58 115.66 1yx3 h GLU 16 Ca -0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1yx3 h GLU 16 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1yx3 h GLU 16 CO 0.20 0.20 0.00 0.39 -1.16 0.00 0.00 179.01 178.64 1yx3 n GLU 17 N -3.94 1.51 -0.63 2.33 4.71 -1.26 -4.91 120.64 118.45 1yx3 n GLU 17 Ca -0.02 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.39 1yx3 n GLU 17 Cb 0.28 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1yx3 n GLU 17 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yx3 n GLY 18 N 1.12 0.65 3.73 0.62 0.00 -0.05 -5.04 105.19 106.22 1yx3 n GLY 18 Ca 0.20 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 3.73 -0.24 1.61 1.51 -1.26 -4.79 117.35 115.92 1yx3 s TYR 19 Ca 0.00 1.60 -0.29 0.00 -1.01 0.00 0.00 57.07 57.37 1yx3 s TYR 19 Cb 0.00 -2.95 -0.02 0.00 -0.11 0.00 0.00 41.96 38.88 1yx3 s TYR 19 CO 0.00 0.18 1.59 -1.17 -1.11 0.00 0.00 175.55 175.05 1yx3 s LEU 20 N 0.23 3.86 0.43 -1.29 2.96 -1.26 -1.46 118.68 122.15 1yx3 s LEU 20 Ca 0.44 1.54 0.24 0.00 -0.22 0.00 0.00 54.13 56.12 1yx3 s LEU 20 Cb -0.21 -3.53 0.66 0.00 0.50 0.00 0.00 46.19 43.60 1yx3 s LEU 20 CO 0.26 -1.28 1.71 0.28 -1.32 0.00 0.00 176.35 176.00 1yx3 h SER 21 N 10.74 0.00 -3.59 3.68 0.02 -1.36 -3.41 113.55 119.64 1yx3 h SER 21 Ca -0.33 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 59.84 1yx3 h SER 21 Cb 1.15 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.44 1yx3 h SER 21 CO 1.01 0.17 0.26 0.21 -1.14 0.00 0.00 176.83 177.34 1yx3 s ASN 22 N -6.15 6.84 -1.14 3.07 2.47 -1.25 -4.97 114.94 113.80 1yx3 s ASN 22 Ca 0.03 -2.76 -0.18 0.00 0.42 0.00 0.00 52.86 50.38 1yx3 s ASN 22 Cb 0.08 -2.24 0.11 0.00 -1.45 0.00 0.00 41.25 37.75 1yx3 s ASN 22 CO 0.65 -0.59 1.46 -0.76 -3.72 0.00 0.00 177.10 174.14 1yx3 s LEU 23 N 0.28 4.42 0.00 3.21 1.43 -1.26 -3.86 118.68 122.89 1yx3 s LEU 23 Ca 0.22 -2.35 0.00 0.00 -1.03 0.00 0.00 54.13 50.97 1yx3 s LEU 23 Cb -0.09 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1yx3 s LEU 23 CO -0.09 -1.08 0.00 -3.20 0.23 0.00 0.00 176.35 172.22 1yx3 n ASN 24 N 7.22 0.00 -0.92 2.29 5.15 -1.26 -4.95 115.26 122.79 1yx3 n ASN 24 Ca 0.37 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.42 1yx3 n ASN 24 Cb 0.47 0.03 0.21 0.00 -0.53 0.00 0.00 39.78 39.95 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 -1.86 2.66 -4.62 1.20 2.03 -1.25 -4.95 116.55 109.77 1yx3 n ASP 25 Ca 0.00 -2.09 -0.48 0.00 0.52 0.00 0.00 54.79 52.74 1yx3 n ASP 25 Cb 0.00 -0.35 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 1yx3 n ASP 25 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1yx3 n TRP 26 N 0.75 1.76 -4.27 -0.67 -0.00 -1.26 -5.01 117.44 108.73 1yx3 n TRP 26 Ca 0.15 0.53 -0.15 0.00 -0.00 0.00 0.00 57.50 58.04 1yx3 n TRP 26 Cb 0.46 -2.38 -0.10 0.00 -0.00 0.00 0.00 31.31 29.28 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 0.13 1.16 0.37 5.87 -7.23 -1.26 -5.05 120.40 114.39 1yx3 s VAL 27 Ca 0.74 -2.06 0.12 0.00 -1.81 0.00 0.00 61.98 58.97 1yx3 s VAL 27 Cb -0.78 -1.99 0.34 0.00 0.56 0.00 0.00 36.38 34.52 1yx3 s VAL 27 CO 0.48 -0.63 1.86 -0.65 -0.31 0.00 0.00 175.10 175.85 1yx3 h PRO 28 N 2.69 0.57 -0.04 4.82 0.11 -1.99 -0.44 132.00 137.73 1yx3 h PRO 28 Ca -0.37 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1yx3 h PRO 28 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1yx3 h PRO 28 CO 0.64 0.38 0.03 0.78 -0.21 0.00 0.00 178.00 179.62 1yx3 h GLY 29 N 0.59 0.00 0.93 -0.55 0.00 -1.99 -1.91 103.07 100.14 1yx3 h GLY 29 Ca 0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.80 1yx3 h GLY 29 CO -0.21 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.25 1yx3 h VAL 30 N 0.00 0.97 -0.38 4.60 2.07 -1.43 -0.64 116.25 121.44 1yx3 h VAL 30 Ca 0.02 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.39 1yx3 h VAL 30 Cb 0.09 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1yx3 h VAL 30 CO -0.00 0.01 -0.33 0.00 0.02 0.00 0.00 177.57 177.27 1yx3 h ALA 31 N 1.04 0.71 0.71 1.67 0.00 -1.48 -1.96 119.26 119.95 1yx3 h ALA 31 Ca 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1yx3 h ALA 31 Cb 0.02 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yx3 h ALA 31 CO -0.04 0.66 -0.34 0.22 0.00 0.00 0.00 179.25 179.75 1yx3 h ASP 32 N 0.71 -0.81 -0.65 0.00 1.82 -1.17 0.18 116.42 116.49 1yx3 h ASP 32 Ca 0.07 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 1yx3 h ASP 32 Cb 0.88 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.07 1yx3 h ASP 32 CO 0.08 -0.54 0.26 0.58 -1.61 0.00 0.00 179.24 178.00 1yx3 h VAL 33 N -1.02 1.24 -0.64 2.25 2.07 -1.18 -1.20 116.25 117.77 1yx3 h VAL 33 Ca -0.10 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1yx3 h VAL 33 Cb 0.75 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1yx3 h VAL 33 CO 0.16 0.30 0.14 -0.03 0.02 0.00 0.00 177.57 178.17 1yx3 h MET 34 N 0.98 1.03 -0.21 1.57 1.85 -1.25 -0.26 114.93 118.64 1yx3 h MET 34 Ca 0.23 -0.25 -0.09 0.00 -0.61 0.00 0.00 59.70 58.98 1yx3 h MET 34 Cb 0.21 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 1yx3 h MET 34 CO -0.02 0.94 -0.25 0.00 -0.40 0.00 0.00 176.91 177.18 1yx3 h ALA 35 N 1.05 1.19 -0.22 0.39 0.00 -0.58 -0.57 119.26 120.52 1yx3 h ALA 35 Ca 0.20 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1yx3 h ALA 35 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1yx3 h ALA 35 CO 0.00 0.52 -0.24 -0.22 0.00 0.00 0.00 179.25 179.32 1yx3 h LYS 36 N 0.34 0.41 -0.08 0.00 3.64 -0.54 0.19 116.57 120.54 1yx3 h LYS 36 Ca 0.05 -0.14 -0.21 0.00 -1.27 0.00 0.00 60.65 59.08 1yx3 h LYS 36 Cb 0.62 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1yx3 h LYS 36 CO 0.04 0.63 -0.80 1.96 -2.27 0.00 0.00 179.45 179.01 1yx3 h GLN 37 N 0.37 0.52 0.00 1.90 4.20 -0.48 -3.21 115.11 118.40 1yx3 h GLN 37 Ca 0.06 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1yx3 h GLN 37 Cb 0.62 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1yx3 h GLN 37 CO 0.04 1.09 -0.36 -3.47 -0.67 0.00 0.00 178.83 175.46 1yx3 n ASP 38 N -3.84 0.42 -2.51 1.46 2.03 -0.28 -4.98 116.55 108.86 1yx3 n ASP 38 Ca -0.06 0.07 -0.04 0.00 0.52 0.00 0.00 54.79 55.28 1yx3 n ASP 38 Cb 0.75 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 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 -1.66 -6.16 -3.74 1.67 5.15 0.46 -5.06 115.26 105.92 1yx3 n ASN 39 Ca 0.05 0.22 -0.13 0.00 -0.60 0.00 0.00 54.58 54.12 1yx3 n ASN 39 Cb 0.36 -4.08 -0.10 0.00 -0.53 0.00 0.00 39.78 35.43 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 -2.61 0.53 0.05 1.20 2.96 -0.03 -5.02 118.68 115.76 1yx3 s LEU 40 Ca 0.11 0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 54.55 1yx3 s LEU 40 Cb -0.03 1.37 -0.06 0.00 0.50 0.00 0.00 46.19 47.98 1yx3 s LEU 40 CO 0.54 -0.22 0.40 -0.70 -1.32 0.00 0.00 176.35 175.04 1yx3 s GLU 41 N -0.16 3.80 -0.40 1.98 2.56 -1.26 -4.41 118.70 120.81 1yx3 s GLU 41 Ca -0.03 0.25 -0.03 0.00 0.00 0.00 0.00 54.97 55.15 1yx3 s GLU 41 Cb -0.03 -3.08 0.10 0.00 2.00 0.00 0.00 34.13 33.12 1yx3 s GLU 41 CO 0.02 0.61 0.19 -0.51 -0.56 0.00 0.00 175.26 175.01 1yx3 s LEU 42 N -1.60 5.12 0.00 2.70 1.43 -1.26 -4.97 118.68 120.11 1yx3 s LEU 42 Ca 0.29 -1.92 -0.01 0.00 -1.03 0.00 0.00 54.13 51.47 1yx3 s LEU 42 Cb -0.15 -1.83 0.08 0.00 0.03 0.00 0.00 46.19 44.32 1yx3 s LEU 42 CO 0.16 -0.52 0.55 0.35 0.23 0.00 0.00 176.35 177.12 1yx3 n THR 43 N 4.63 0.00 -0.24 5.49 -2.24 -1.26 -4.82 114.28 115.84 1yx3 n THR 43 Ca -0.04 -0.83 -0.05 0.00 -2.27 0.00 0.00 64.05 60.86 1yx3 n THR 43 Cb 0.42 -1.15 0.05 0.00 -2.10 0.00 0.00 70.33 67.54 1yx3 n THR 43 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yx3 h GLU 44 N 0.00 0.89 -0.40 -0.78 4.81 -1.98 0.12 114.58 117.23 1yx3 h GLU 44 Ca -0.18 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1yx3 h GLU 44 Cb 0.66 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1yx3 h GLU 44 CO 0.19 0.59 -0.08 1.05 -0.73 0.00 0.00 179.01 180.03 1yx3 h GLU 45 N 0.91 0.70 0.00 1.92 9.09 -1.98 0.39 114.58 125.61 1yx3 h GLU 45 Ca 0.24 -0.21 -0.00 0.00 0.05 0.00 0.00 59.36 59.44 1yx3 h GLU 45 Cb -0.10 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 26.94 1yx3 h GLU 45 CO -0.05 0.77 -0.00 0.45 0.05 0.00 0.00 179.01 180.23 1yx3 h HIS 46 N 0.64 -0.00 -0.81 2.06 3.86 -1.73 -1.45 115.15 117.73 1yx3 h HIS 46 Ca 0.12 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1yx3 h HIS 46 Cb 0.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 1yx3 h HIS 46 CO 0.02 0.18 0.41 -1.49 0.86 0.00 0.00 177.93 177.91 1yx3 h TRP 47 N -0.18 1.14 -0.40 2.45 4.06 -0.47 -1.85 115.95 120.71 1yx3 h TRP 47 Ca -0.00 -0.05 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 1yx3 h TRP 47 Cb 0.18 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.96 1yx3 h TRP 47 CO -0.02 0.82 -0.00 0.22 -3.56 0.00 0.00 178.44 175.90 1yx3 h ASP 48 N 1.13 0.61 -0.26 -3.49 3.58 -0.13 0.40 116.42 118.26 1yx3 h ASP 48 Ca 0.28 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 1yx3 h ASP 48 Cb 0.09 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1yx3 h ASP 48 CO -0.04 0.68 -0.03 0.40 -2.88 0.00 0.00 179.24 177.37 1yx3 h ILE 49 N 0.61 1.27 -0.61 2.25 2.04 -0.87 0.37 117.51 122.57 1yx3 h ILE 49 Ca 0.12 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1yx3 h ILE 49 Cb 0.39 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1yx3 h ILE 49 CO 0.01 0.31 0.31 0.40 0.00 0.00 0.00 178.15 179.19 1yx3 h ILE 50 N 0.24 1.21 -0.88 -0.67 2.04 -0.97 -0.79 117.51 117.70 1yx3 h ILE 50 Ca 0.07 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1yx3 h ILE 50 Cb 0.48 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1yx3 h ILE 50 CO 0.02 0.23 0.54 -1.13 0.00 0.00 0.00 178.15 177.81 1yx3 h ASN 51 N 0.83 1.04 -0.76 1.72 -1.24 -0.08 0.22 115.58 117.31 1yx3 h ASN 51 Ca 0.21 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.14 1yx3 h ASN 51 Cb 0.09 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.84 1yx3 h ASN 51 CO -0.03 0.80 0.41 0.15 -1.29 0.00 0.00 177.43 177.46 1yx3 h PHE 52 N 1.20 1.05 -0.34 0.67 3.57 0.41 0.17 116.94 123.68 1yx3 h PHE 52 Ca 0.32 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.62 1yx3 h PHE 52 Cb -0.06 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.34 1yx3 h PHE 52 CO -0.00 0.74 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.30 1yx3 h LEU 53 N 1.05 0.95 -0.41 0.59 3.38 -0.78 0.43 115.31 120.53 1yx3 h LEU 53 Ca 0.27 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1yx3 h LEU 53 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1yx3 h LEU 53 CO -0.04 1.25 0.15 -0.09 0.09 0.00 0.00 178.44 179.80 1yx3 h ARG 54 N 0.70 0.31 0.19 1.13 9.65 -0.56 0.80 114.38 126.60 1yx3 h ARG 54 Ca 0.04 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1yx3 h ARG 54 Cb 1.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 1yx3 h ARG 54 CO 0.10 0.21 -0.09 1.49 2.80 0.00 0.00 179.97 184.48 1yx3 h GLU 55 N 0.32 -0.25 -0.84 0.20 4.81 -0.52 -2.54 114.58 115.76 1yx3 h GLU 55 Ca 0.19 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1yx3 h GLU 55 Cb 0.16 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1yx3 h GLU 55 CO -0.18 0.10 0.55 -0.92 -0.73 0.00 0.00 179.01 177.83 1yx3 h TYR 56 N -0.64 1.05 -0.35 0.92 5.03 -0.04 0.17 116.97 123.10 1yx3 h TYR 56 Ca -0.03 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.14 1yx3 h TYR 56 Cb 0.46 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.39 1yx3 h TYR 56 CO 0.04 0.65 -0.44 -0.92 -1.32 0.00 0.00 178.16 176.17 1yx3 h TYR 57 N 1.12 1.11 -0.20 -3.82 3.20 -0.91 0.30 116.97 117.77 1yx3 h TYR 57 Ca 0.32 -0.36 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 1yx3 h TYR 57 Cb -0.10 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 1yx3 h TYR 57 CO -0.02 1.19 -0.60 1.49 -1.64 0.00 0.00 178.16 178.59 1yx3 h GLU 58 N 0.72 0.65 0.02 1.82 4.81 -0.98 -0.38 114.58 121.24 1yx3 h GLU 58 Ca 0.04 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1yx3 h GLU 58 Cb 1.04 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1yx3 h GLU 58 CO 0.10 1.06 -0.01 1.49 -0.73 0.00 0.00 179.01 180.92 1yx3 h GLU 59 N 0.49 -0.03 0.00 1.92 4.57 -0.66 -3.38 114.58 117.49 1yx3 h GLU 59 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1yx3 h GLU 59 Cb 1.17 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1yx3 h GLU 59 CO 0.12 -0.02 0.00 1.88 -1.18 0.00 0.00 179.01 179.81 1yx3 h TYR 60 N -0.48 0.00 -1.76 0.92 -1.99 -0.56 -3.47 116.97 109.64 1yx3 h TYR 60 Ca -0.00 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.39 1yx3 h TYR 60 Cb 0.02 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 1yx3 h TYR 60 CO 0.01 0.00 -0.38 1.04 -0.00 0.00 0.00 178.16 178.83 1yx3 n GLN 61 N -2.59 -1.25 -3.85 4.88 1.13 -0.15 -4.98 117.38 110.56 1yx3 n GLN 61 Ca 0.04 0.91 -0.12 0.00 -1.94 0.00 0.00 57.00 55.89 1yx3 n GLN 61 Cb 0.44 -5.24 -0.12 0.00 0.11 0.00 0.00 30.24 25.43 1yx3 n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 1yx3 s ILE 62 N -2.74 0.03 -0.21 5.09 2.07 -1.25 -5.03 121.20 119.16 1yx3 s ILE 62 Ca 0.00 -0.28 -0.10 0.00 -1.41 0.00 0.00 60.65 58.86 1yx3 s ILE 62 Cb 0.00 -0.27 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1yx3 s ILE 62 CO 0.00 -0.15 0.15 0.00 -1.91 0.00 0.00 174.94 173.03 1yx3 s ALA 63 N -0.48 3.66 0.20 1.50 0.00 -1.26 -4.17 121.76 121.22 1yx3 s ALA 63 Ca -0.06 -0.72 -0.27 0.00 0.00 0.00 0.00 51.96 50.91 1yx3 s ALA 63 Cb -0.04 -2.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.77 1yx3 s ALA 63 CO 0.00 0.07 0.85 -1.25 0.00 0.00 0.00 175.76 175.43 1yx3 s PRO 64 N 0.54 4.69 1.10 0.00 0.05 -1.26 -4.83 135.00 135.28 1yx3 s PRO 64 Ca 0.09 1.30 -0.18 0.00 0.05 0.00 0.00 61.00 62.25 1yx3 s PRO 64 Cb -0.12 -3.25 0.26 0.00 0.05 0.00 0.00 34.50 31.44 1yx3 s PRO 64 CO 0.00 0.54 1.26 0.00 0.05 0.00 0.00 177.00 178.85 1yx3 s ALA 65 N -1.19 1.51 0.23 8.56 0.00 -1.23 -4.60 121.76 125.05 1yx3 s ALA 65 Ca 0.39 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1yx3 s ALA 65 Cb -0.24 -2.77 0.22 0.00 0.00 0.00 0.00 23.12 20.32 1yx3 s ALA 65 CO 0.29 -3.06 1.89 -0.24 0.00 0.00 0.00 175.76 174.63 1yx3 h VAL 66 N -2.16 1.25 -0.21 0.00 3.04 -1.91 0.41 116.25 116.68 1yx3 h VAL 66 Ca -0.43 -0.51 -0.15 0.00 -1.01 0.00 0.00 66.70 64.60 1yx3 h VAL 66 Cb 1.24 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1yx3 h VAL 66 CO 0.30 0.25 -0.49 -0.09 -1.01 0.00 0.00 177.57 176.54 1yx3 h ARG 67 N 1.25 0.56 -0.02 4.17 2.43 -1.98 -2.54 114.38 118.24 1yx3 h ARG 67 Ca 0.33 -0.32 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1yx3 h ARG 67 Cb -0.08 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1yx3 h ARG 67 CO -0.06 0.92 -0.93 0.28 -1.51 0.00 0.00 179.97 178.66 1yx3 h VAL 68 N 0.44 1.30 0.22 0.20 2.07 -1.72 -3.06 116.25 115.69 1yx3 h VAL 68 Ca 0.02 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 1yx3 h VAL 68 Cb 1.01 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1yx3 h VAL 68 CO 0.09 0.67 -0.10 0.25 0.02 0.00 0.00 177.57 178.50 1yx3 h LEU 69 N 0.34 -0.25 -1.36 2.57 5.85 -0.21 -2.87 115.31 119.38 1yx3 h LEU 69 Ca -0.11 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.65 1yx3 h LEU 69 Cb 1.59 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.63 1yx3 h LEU 69 CO 0.19 -0.09 0.52 0.74 -0.34 0.00 0.00 178.44 179.45 1yx3 h THR 70 N -0.38 0.92 -0.38 1.05 2.02 -1.54 0.24 112.91 114.84 1yx3 h THR 70 Ca -0.03 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.97 1yx3 h THR 70 Cb 0.29 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1yx3 h THR 70 CO 0.05 0.13 0.09 0.50 0.37 0.00 0.00 175.52 176.65 1yx3 h LYS 71 N 0.69 0.21 0.03 6.66 3.64 -1.40 -1.26 116.57 125.14 1yx3 h LYS 71 Ca 0.37 -0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 59.47 1yx3 h LYS 71 Cb 0.51 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1yx3 h LYS 71 CO -0.14 0.14 -1.07 0.00 -2.27 0.00 0.00 179.45 176.11 1yx3 h ALA 72 N 1.27 0.15 -0.82 5.00 0.00 -0.92 -3.24 119.26 120.70 1yx3 h ALA 72 Ca 0.18 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.46 1yx3 h ALA 72 Cb 0.20 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1yx3 h ALA 72 CO -0.22 0.72 0.47 0.28 0.00 0.00 0.00 179.25 180.50 1yx3 h VAL 73 N 0.33 0.93 -0.75 0.00 2.07 -0.40 0.19 116.25 118.63 1yx3 h VAL 73 Ca -0.13 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1yx3 h VAL 73 Cb 1.72 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1yx3 h VAL 73 CO 0.20 0.15 0.48 1.23 0.02 0.00 0.00 177.57 179.65 1yx3 h GLY 74 N 0.80 1.06 1.63 2.17 0.00 -1.26 0.15 103.07 107.62 1yx3 h GLY 74 Ca 0.39 -0.37 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 1yx3 h GLY 74 CO -0.23 0.34 -1.25 1.70 0.00 0.00 0.00 176.54 177.10 1yx3 h LYS 75 N 0.97 0.27 -0.10 4.80 1.63 -1.47 -2.77 116.57 119.90 1yx3 h LYS 75 Ca 0.29 -0.46 -0.09 0.00 -0.85 0.00 0.00 60.65 59.54 1yx3 h LYS 75 Cb -0.05 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1yx3 h LYS 75 CO -0.08 1.22 -0.28 -0.22 -3.45 0.00 0.00 179.45 176.63 1yx3 h LYS 76 N 0.07 0.36 0.08 1.90 3.64 -0.40 -3.33 116.57 118.90 1yx3 h LYS 76 Ca -0.14 -0.26 -0.26 0.00 -1.27 0.00 0.00 60.65 58.73 1yx3 h LYS 76 Cb 1.97 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 1yx3 h LYS 76 CO 0.20 0.88 -1.19 -0.07 -2.27 0.00 0.00 179.45 177.00 1yx3 h LEU 77 N -0.09 0.28 0.00 5.20 4.07 -0.84 -3.50 115.31 120.43 1yx3 h LEU 77 Ca -0.01 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1yx3 h LEU 77 Cb 0.90 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1yx3 h LEU 77 CO 0.06 1.24 0.00 0.61 -1.08 0.00 0.00 178.44 179.27 1yx3 n GLY 78 N 1.48 -1.07 1.18 0.83 0.00 -1.05 -4.99 105.19 101.57 1yx3 n GLY 78 Ca -0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.00 1.61 4.76 -1.21 -4.45 118.16 118.87 1yx3 n LYS 79 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1yx3 n LYS 79 Cb 0.00 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 33.87 1yx3 n LYS 79 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1yx3 n GLU 80 N -1.90 0.30 0.00 1.97 2.13 -1.26 -2.87 120.64 119.00 1yx3 n GLU 80 Ca 0.00 -0.02 0.14 0.00 0.66 0.00 0.00 57.16 57.94 1yx3 n GLU 80 Cb 0.00 -1.50 0.72 0.00 0.27 0.00 0.00 31.44 30.93 1yx3 n GLU 80 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yx3 n LYS 81 N -1.33 0.38 -3.89 5.31 4.01 -1.26 -4.32 118.16 117.06 1yx3 n LYS 81 Ca 0.12 0.01 -0.28 0.00 -0.51 0.00 0.00 58.31 57.64 1yx3 n LYS 81 Cb 0.28 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 33.18 1yx3 n LYS 81 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1yx3 s GLY 82 N -2.61 2.80 0.11 0.72 0.00 -1.14 -4.56 107.32 102.65 1yx3 s GLY 82 Ca 0.26 -3.70 0.00 0.00 0.00 0.00 0.00 44.72 41.28 1yx3 s GLY 82 CO 0.45 1.11 0.00 -2.01 0.00 0.00 0.00 173.10 172.65 1yx3 n ASN 83 N 2.18 -0.28 0.00 1.64 2.85 -1.26 -4.57 115.26 115.82 1yx3 n ASN 83 Ca 0.18 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 1yx3 n ASN 83 Cb 0.35 0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.75 1yx3 n ASN 83 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1yx3 n SER 84 N -2.84 0.00 0.02 1.20 3.41 -1.26 -5.02 113.62 109.13 1yx3 n SER 84 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1yx3 n SER 84 Cb 0.00 0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 1yx3 n SER 84 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1yx3 h LYS 85 N 0.00 -0.59 -0.97 4.33 1.63 -1.94 0.01 116.57 119.05 1yx3 h LYS 85 Ca 0.00 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.93 1yx3 h LYS 85 Cb 0.00 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.69 1yx3 h LYS 85 CO 0.00 -0.39 0.61 -0.92 -3.45 0.00 0.00 179.45 175.29 1yx3 h TYR 86 N -0.61 1.11 -0.00 1.91 3.20 -1.86 -0.36 116.97 120.36 1yx3 h TYR 86 Ca 0.03 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 1yx3 h TYR 86 Cb 0.70 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1yx3 h TYR 86 CO -0.55 0.51 -0.86 -0.07 -1.64 0.00 0.00 178.16 175.54 1yx3 h LEU 87 N 1.03 0.30 -0.00 2.82 3.38 -1.65 -1.57 115.31 119.63 1yx3 h LEU 87 Ca 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1yx3 h LEU 87 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yx3 h LEU 87 CO -0.22 1.03 0.00 -1.22 0.09 0.00 0.00 178.44 178.12 1yx3 n TYR 88 N -3.69 0.21 0.05 1.13 4.01 -0.06 0.20 117.16 119.00 1yx3 n TYR 88 Ca -0.04 0.06 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1yx3 n TYR 88 Cb 0.79 -0.60 -0.09 0.00 -0.31 0.00 0.00 39.34 39.14 1yx3 n TYR 88 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1yx3 h SER 89 N 0.00 0.00 0.07 7.72 0.87 -0.76 -3.25 113.55 118.20 1yx3 h SER 89 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yx3 h SER 89 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1yx3 h SER 89 CO 0.00 0.78 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.97 1yx3 h LEU 90 N 0.00 -0.08 -7.83 2.23 3.38 -0.82 -3.43 115.31 108.77 1yx3 h LEU 90 Ca -0.13 -0.41 -0.67 0.00 0.09 0.00 0.00 57.88 56.76 1yx3 h LEU 90 Cb 1.70 0.02 -0.37 0.00 0.09 0.00 0.00 40.66 42.10 1yx3 h LEU 90 CO 0.08 0.59 -0.73 -0.36 0.09 0.00 0.00 178.44 178.11 1yx3 s PHE 91 N -2.39 3.49 -1.12 1.13 0.08 0.13 -4.98 117.98 114.32 1yx3 s PHE 91 Ca -0.10 -2.51 0.22 0.00 0.12 0.00 0.00 56.93 54.67 1yx3 s PHE 91 Cb -0.01 -2.47 1.00 0.00 -0.57 0.00 0.00 43.02 40.97 1yx3 s PHE 91 CO 0.36 -0.90 1.72 -0.35 -0.10 0.00 0.00 175.22 175.94 1yx3 n PRO 92 N 4.42 0.09 -0.08 0.24 -0.04 -1.23 -3.79 135.00 134.61 1yx3 n PRO 92 Ca -0.06 0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1yx3 n PRO 92 Cb 0.42 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.44 0.00 -3.18 0.54 4.02 -1.26 -5.03 117.16 110.81 1yx3 n TYR 93 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 58.00 1yx3 n TYR 93 Cb 0.24 -0.47 -0.01 0.00 -0.02 0.00 0.00 39.34 39.07 1yx3 n TYR 93 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1yx3 s GLY 94 N -4.86 -0.69 0.16 2.72 0.00 -1.25 -5.04 107.32 98.35 1yx3 s GLY 94 Ca -0.27 2.29 -0.24 0.00 0.00 0.00 0.00 44.72 46.50 1yx3 s GLY 94 CO 0.40 3.54 1.60 -0.56 0.00 0.00 0.00 173.10 178.08 1yx3 h PRO 95 N 7.98 -0.28 -0.20 2.90 0.13 -1.81 0.13 132.00 140.85 1yx3 h PRO 95 Ca -0.19 0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1yx3 h PRO 95 Cb 1.16 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1yx3 h PRO 95 CO 0.10 -0.19 -0.39 0.00 -0.23 0.00 0.00 178.00 177.29 1yx3 h ALA 96 N 0.67 0.32 -0.41 -0.56 0.00 -1.93 -2.60 119.26 114.75 1yx3 h ALA 96 Ca 0.15 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1yx3 h ALA 96 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1yx3 h ALA 96 CO -0.48 0.41 -0.12 -0.22 0.00 0.00 0.00 179.25 178.84 1yx3 h LYS 97 N 0.30 0.80 -0.24 0.00 3.64 -1.85 0.72 116.57 119.93 1yx3 h LYS 97 Ca 0.01 -0.31 -0.12 0.00 -1.27 0.00 0.00 60.65 58.95 1yx3 h LYS 97 Cb 0.99 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1yx3 h LYS 97 CO 0.09 0.93 -0.33 1.96 -2.27 0.00 0.00 179.45 179.83 1yx3 h GLN 98 N 0.61 0.65 -0.30 1.90 4.20 -0.83 -2.58 115.11 118.76 1yx3 h GLN 98 Ca 0.10 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 1yx3 h GLN 98 Cb 0.65 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1yx3 h GLN 98 CO 0.04 0.99 -0.01 0.00 -0.67 0.00 0.00 178.83 179.18 1yx3 h ALA 99 N 0.66 0.41 -0.57 3.87 0.00 -1.33 -2.54 119.26 119.75 1yx3 h ALA 99 Ca 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1yx3 h ALA 99 Cb 0.91 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1yx3 h ALA 99 CO 0.08 0.17 0.17 0.00 0.00 0.00 0.00 179.25 179.67 1yx3 h ARG 101 N 0.84 0.46 -0.09 0.00 2.43 -1.25 0.48 114.38 117.24 1yx3 h ARG 101 Ca 0.19 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1yx3 h ARG 101 Cb 0.26 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1yx3 h ARG 101 CO -0.01 0.30 -0.10 0.74 -1.51 0.00 0.00 179.97 179.40 1yx3 h PHE 102 N 0.47 0.14 0.00 2.20 0.04 -0.93 -1.22 116.94 117.63 1yx3 h PHE 102 Ca 0.26 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1yx3 h PHE 102 Cb 0.24 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1yx3 h PHE 102 CO -0.13 0.24 -0.30 0.00 -0.60 0.00 0.00 178.31 177.52 1yx3 n ALA 103 N -2.50 2.70 -0.22 2.45 0.00 -0.45 -4.12 120.51 118.36 1yx3 n ALA 103 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1yx3 n ALA 103 Cb 0.21 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.38 0.80 3.65 0.00 0.00 0.27 -4.92 105.19 106.38 1yx3 n GLY 104 Ca 0.05 0.00 -0.41 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 4.12 0.89 0.99 1.43 0.14 -4.31 118.68 121.95 1yx3 s LEU 105 Ca 0.00 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 1yx3 s LEU 105 Cb 0.00 -3.14 0.13 0.00 0.03 0.00 0.00 46.19 43.22 1yx3 s LEU 105 CO 0.00 -0.43 1.16 -2.16 0.23 0.00 0.00 176.35 175.15 1yx3 s PRO 106 N 2.45 1.14 -0.39 1.29 0.04 -1.26 -3.60 135.00 134.67 1yx3 s PRO 106 Ca 0.34 1.61 -0.35 0.00 0.04 0.00 0.00 61.00 62.64 1yx3 s PRO 106 Cb -0.16 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 1yx3 s PRO 106 CO 0.10 -2.55 2.22 0.36 0.04 0.00 0.00 177.00 177.16 1yx3 n LYS 107 N -4.03 1.00 -0.36 4.56 0.00 -1.26 -4.80 118.16 113.27 1yx3 n LYS 107 Ca 0.12 0.26 0.06 0.00 -0.00 0.00 0.00 58.31 58.75 1yx3 n LYS 107 Cb 0.52 -2.44 0.21 0.00 -0.00 0.00 0.00 35.03 33.32 1yx3 n LYS 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1yx3 n PRO 108 N 8.24 2.59 0.10 -1.58 -0.04 -1.26 -4.18 135.00 138.87 1yx3 n PRO 108 Ca 0.42 -1.70 -0.05 0.00 -0.04 0.00 0.00 63.50 62.14 1yx3 n PRO 108 Cb 0.23 -1.61 0.10 0.00 -0.04 0.00 0.00 33.50 32.17 1yx3 n PRO 108 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1yx3 h THR 109 N 2.47 1.45 -5.54 0.52 1.35 -1.87 -3.25 112.91 108.04 1yx3 h THR 109 Ca 0.00 -2.26 -0.30 0.00 -0.55 0.00 0.00 66.41 63.30 1yx3 h THR 109 Cb 0.94 2.21 0.18 0.00 -1.73 0.00 0.00 68.15 69.74 1yx3 h THR 109 CO 0.13 0.66 -0.78 0.61 -0.25 0.00 0.00 175.52 175.88 1yx3 n GLY 110 N 0.46 -0.58 3.65 5.82 0.00 -1.26 -4.87 105.19 108.41 1yx3 n GLY 110 Ca -0.02 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32