#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 -1.36 -3.00 3.04 0.00 -1.26 -5.05 120.51 112.88 1yx3 n ALA 2 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1yx3 n ALA 2 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.41 0.00 -4.01 0.00 -0.08 -1.20 -5.02 116.55 104.83 1yx3 n ASP 3 Ca 0.00 -0.39 -0.18 0.00 -1.51 0.00 0.00 54.79 52.71 1yx3 n ASP 3 Cb 0.08 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.40 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 -1.49 0.66 -0.17 5.18 -4.23 -1.26 -0.93 115.64 113.40 1yx3 s THR 4 Ca 0.00 -0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 59.93 1yx3 s THR 4 Cb 0.00 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1yx3 s THR 4 CO 0.00 0.16 0.52 0.27 -0.54 0.00 0.00 174.62 175.03 1yx3 s ILE 5 N -0.25 5.13 -0.52 2.99 -4.36 0.53 -4.82 121.20 119.90 1yx3 s ILE 5 Ca 0.03 0.98 -0.17 0.00 -0.26 0.00 0.00 60.65 61.23 1yx3 s ILE 5 Cb -0.03 -3.85 0.10 0.00 1.25 0.00 0.00 42.46 39.93 1yx3 s ILE 5 CO -0.00 0.23 0.52 -0.70 0.24 0.00 0.00 174.94 175.22 1yx3 s GLU 6 N 1.26 3.01 -0.98 0.37 2.12 -1.26 -0.40 118.70 122.82 1yx3 s GLU 6 Ca 0.25 -1.43 -0.17 0.00 0.36 0.00 0.00 54.97 53.99 1yx3 s GLU 6 Cb -0.15 -4.22 0.16 0.00 0.26 0.00 0.00 34.13 30.18 1yx3 s GLU 6 CO 0.10 -1.26 1.13 0.08 -0.54 0.00 0.00 175.26 174.78 1yx3 s VAL 7 N 1.92 4.96 0.00 3.70 1.01 0.56 -4.78 120.40 127.78 1yx3 s VAL 7 Ca 0.06 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1yx3 s VAL 7 Cb -0.26 -4.75 0.00 0.00 0.00 0.00 0.00 36.38 31.37 1yx3 s VAL 7 CO 0.06 -1.45 0.00 -0.67 0.00 0.00 0.00 175.10 173.04 1yx3 n ASP 8 N 5.86 0.00 -0.30 3.32 2.03 -1.26 -1.74 116.55 124.46 1yx3 n ASP 8 Ca 0.25 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1yx3 n ASP 8 Cb 0.47 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 1yx3 n ASP 8 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yx3 n GLY 9 N 0.00 -0.55 3.02 0.27 0.00 -1.26 -5.03 105.19 101.63 1yx3 n GLY 9 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 1.79 -0.49 1.61 -0.14 -0.71 -5.08 119.74 116.72 1yx3 s LYS 10 Ca 0.00 -1.49 -0.20 0.00 -1.36 0.00 0.00 55.97 52.92 1yx3 s LYS 10 Cb 0.00 -2.93 0.05 0.00 -1.68 0.00 0.00 37.83 33.27 1yx3 s LYS 10 CO 0.00 -0.73 0.66 -0.65 -0.76 0.00 0.00 175.35 173.87 1yx3 s GLN 11 N 1.09 3.18 -0.14 1.68 -0.21 -1.25 -0.32 119.66 123.68 1yx3 s GLN 11 Ca -0.00 -0.69 -0.15 0.00 0.02 0.00 0.00 55.36 54.54 1yx3 s GLN 11 Cb -0.19 -4.06 -0.05 0.00 1.00 0.00 0.00 33.01 29.72 1yx3 s GLN 11 CO -0.07 -1.19 0.33 -0.06 -2.12 0.00 0.00 175.29 172.17 1yx3 s PHE 12 N 2.82 3.49 0.20 0.91 0.08 0.46 -4.82 117.98 121.12 1yx3 s PHE 12 Ca 0.18 0.68 -0.31 0.00 0.12 0.00 0.00 56.93 57.60 1yx3 s PHE 12 Cb -0.17 -2.37 -0.10 0.00 -0.57 0.00 0.00 43.02 39.81 1yx3 s PHE 12 CO 0.14 0.26 1.53 0.00 -0.10 0.00 0.00 175.22 177.06 1yx3 s ALA 13 N 0.36 3.73 0.08 5.36 0.00 -1.26 -0.35 121.76 129.69 1yx3 s ALA 13 Ca 0.19 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.56 1yx3 s ALA 13 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1yx3 s ALA 13 CO 0.06 -0.78 -0.12 0.14 0.00 0.00 0.00 175.76 175.05 1yx3 s VAL 14 N 0.73 1.04 0.75 0.00 -7.23 -0.10 -1.19 120.40 114.40 1yx3 s VAL 14 Ca 0.66 -1.44 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 1yx3 s VAL 14 Cb -0.43 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.38 1yx3 s VAL 14 CO 0.36 -0.36 1.10 -0.62 -0.31 0.00 0.00 175.10 175.27 1yx3 s ASP 15 N -2.03 4.55 0.38 4.85 2.15 0.15 -3.21 116.67 123.51 1yx3 s ASP 15 Ca 0.01 1.89 0.28 0.00 0.43 0.00 0.00 52.55 55.16 1yx3 s ASP 15 Cb -0.07 -2.53 1.11 0.00 -0.30 0.00 0.00 42.92 41.13 1yx3 s ASP 15 CO 0.02 -2.01 1.83 -0.08 -0.17 0.00 0.00 175.17 174.75 1yx3 h GLU 16 N -0.90 0.00 0.00 4.34 4.81 -1.95 0.41 114.58 121.28 1yx3 h GLU 16 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1yx3 h GLU 16 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1yx3 h GLU 16 CO 0.51 0.00 -0.14 0.39 -0.73 0.00 0.00 179.01 179.05 1yx3 n GLU 17 N -2.62 0.23 -0.20 1.92 4.71 -1.26 -4.94 120.64 118.46 1yx3 n GLU 17 Ca 0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 1yx3 n GLU 17 Cb 0.28 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.98 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 1.35 0.65 2.89 0.62 0.00 0.13 -5.13 105.19 105.70 1yx3 n GLY 18 Ca 0.05 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.55 0.27 -0.29 1.61 1.51 -1.23 -4.92 117.35 112.74 1yx3 s TYR 19 Ca 0.00 -0.04 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1yx3 s TYR 19 Cb 0.00 -0.23 -0.07 0.00 -0.11 0.00 0.00 41.96 41.55 1yx3 s TYR 19 CO 0.00 -0.04 2.24 -0.11 -1.11 0.00 0.00 175.55 176.54 1yx3 n LEU 20 N 3.31 2.80 -3.83 -1.29 7.94 -1.26 0.33 117.00 125.00 1yx3 n LEU 20 Ca -0.16 0.19 -0.36 0.00 -1.11 0.00 0.00 56.01 54.56 1yx3 n LEU 20 Cb 0.57 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 43.01 1yx3 n LEU 20 CO 0.25 -0.79 0.58 -1.20 -1.11 0.00 0.00 177.39 175.12 1yx3 n SER 21 N 11.61 4.98 0.00 1.96 7.64 -0.33 -4.33 113.62 135.16 1yx3 n SER 21 Ca 0.34 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1yx3 n SER 21 Cb 0.39 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1yx3 n SER 21 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1yx3 n ASN 22 N 1.40 0.00 0.00 6.43 5.15 -1.25 -4.47 115.26 122.51 1yx3 n ASN 22 Ca 0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 1yx3 n ASN 22 Cb 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1yx3 n ASN 22 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1yx3 n LEU 23 N -1.04 0.00 0.00 1.20 4.77 -1.26 -4.81 117.00 115.86 1yx3 n LEU 23 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yx3 n LEU 23 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yx3 n LEU 23 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 1yx3 n ASN 24 N 8.04 0.00 0.02 -1.43 5.15 -1.26 -3.39 115.26 122.39 1yx3 n ASN 24 Ca 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1yx3 n ASN 24 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 1.47 0.78 -1.56 1.20 2.03 -1.26 -5.14 116.55 114.08 1yx3 n ASP 25 Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1yx3 n ASP 25 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -3.21 -2.52 -3.99 -0.67 -0.00 -1.22 -5.06 117.44 100.78 1yx3 n TRP 26 Ca -0.01 1.51 -0.27 0.00 -0.00 0.00 0.00 57.50 58.72 1yx3 n TRP 26 Cb 0.04 -2.93 -0.04 0.00 -0.00 0.00 0.00 31.31 28.38 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 -0.29 5.05 0.46 5.87 -7.23 -1.26 -5.00 120.40 118.00 1yx3 s VAL 27 Ca 0.00 -0.75 0.21 0.00 -1.81 0.00 0.00 61.98 59.62 1yx3 s VAL 27 Cb 0.00 -3.56 0.39 0.00 0.56 0.00 0.00 36.38 33.77 1yx3 s VAL 27 CO 0.00 -0.04 1.90 -0.65 -0.31 0.00 0.00 175.10 176.00 1yx3 h PRO 28 N 2.45 0.27 -0.15 4.82 0.11 -1.98 -0.17 132.00 137.35 1yx3 h PRO 28 Ca -0.48 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1yx3 h PRO 28 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1yx3 h PRO 28 CO 0.68 0.18 0.14 0.78 -0.21 0.00 0.00 178.00 179.57 1yx3 h GLY 29 N 0.28 0.00 1.02 -0.55 0.00 -1.99 -0.33 103.07 101.51 1yx3 h GLY 29 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 1yx3 h GLY 29 CO -0.10 0.00 0.28 -2.08 0.00 0.00 0.00 176.54 174.64 1yx3 h VAL 30 N 0.00 1.25 -0.39 4.60 2.07 -1.39 0.06 116.25 122.45 1yx3 h VAL 30 Ca 0.07 -0.78 -0.16 0.00 0.82 0.00 0.00 66.70 66.66 1yx3 h VAL 30 Cb 0.35 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1yx3 h VAL 30 CO -0.00 0.31 -0.37 0.00 0.02 0.00 0.00 177.57 177.53 1yx3 h ALA 31 N 1.13 0.60 0.24 1.67 0.00 -1.20 -0.18 119.26 121.52 1yx3 h ALA 31 Ca 0.23 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yx3 h ALA 31 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1yx3 h ALA 31 CO -0.02 0.68 -0.16 -0.44 0.00 0.00 0.00 179.25 179.31 1yx3 h ASP 32 N 0.77 -0.40 -0.65 0.00 3.32 -1.01 0.14 116.42 118.59 1yx3 h ASP 32 Ca 0.07 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1yx3 h ASP 32 Cb 0.96 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1yx3 h ASP 32 CO 0.09 -0.25 0.19 0.58 -1.72 0.00 0.00 179.24 178.12 1yx3 h VAL 33 N -0.39 1.25 -0.32 -1.35 2.07 -0.98 0.65 116.25 117.18 1yx3 h VAL 33 Ca -0.02 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1yx3 h VAL 33 Cb 0.33 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1yx3 h VAL 33 CO 0.02 0.34 0.20 -0.03 0.02 0.00 0.00 177.57 178.12 1yx3 h MET 34 N 0.95 0.40 -0.31 1.57 1.85 -0.83 -1.19 114.93 117.38 1yx3 h MET 34 Ca 0.21 -0.02 -0.08 0.00 -0.61 0.00 0.00 59.70 59.19 1yx3 h MET 34 Cb 0.32 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 1yx3 h MET 34 CO -0.00 0.27 -0.16 0.00 -0.40 0.00 0.00 176.91 176.62 1yx3 h ALA 35 N 1.13 1.15 -0.86 0.39 0.00 -0.50 -1.83 119.26 118.75 1yx3 h ALA 35 Ca 0.12 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1yx3 h ALA 35 Cb -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1yx3 h ALA 35 CO -0.04 0.53 0.55 -0.22 0.00 0.00 0.00 179.25 180.08 1yx3 h LYS 36 N 0.50 1.03 -0.20 0.00 3.64 -0.19 0.46 116.57 121.79 1yx3 h LYS 36 Ca 0.09 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1yx3 h LYS 36 Cb 0.56 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1yx3 h LYS 36 CO 0.04 0.68 0.01 1.96 -2.27 0.00 0.00 179.45 179.86 1yx3 h GLN 37 N 1.06 0.36 0.00 1.90 4.20 -0.74 -3.05 115.11 118.83 1yx3 h GLN 37 Ca 0.35 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1yx3 h GLN 37 Cb 0.04 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1yx3 h GLN 37 CO -0.13 0.54 0.00 -0.25 -0.67 0.00 0.00 178.83 178.33 1yx3 n ASP 38 N -4.70 0.72 -1.02 1.46 9.92 -0.73 -4.89 116.55 117.30 1yx3 n ASP 38 Ca -0.04 0.60 -0.12 0.00 -0.53 0.00 0.00 54.79 54.70 1yx3 n ASP 38 Cb 0.22 -0.78 -0.04 0.00 -0.64 0.00 0.00 41.12 39.88 1yx3 n ASP 38 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1yx3 n ASN 39 N -2.21 -4.27 -4.39 -2.24 5.03 0.16 -4.98 115.26 102.35 1yx3 n ASN 39 Ca 0.05 0.22 -0.38 0.00 0.87 0.00 0.00 54.58 55.33 1yx3 n ASN 39 Cb 0.36 -2.99 -0.12 0.00 -1.02 0.00 0.00 39.78 36.01 1yx3 n ASN 39 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1yx3 s LEU 40 N -2.89 4.07 0.02 3.41 0.20 -0.87 -5.02 118.68 117.60 1yx3 s LEU 40 Ca 0.00 -0.66 -0.30 0.00 0.69 0.00 0.00 54.13 53.86 1yx3 s LEU 40 Cb 0.00 -1.95 -0.06 0.00 -0.43 0.00 0.00 46.19 43.75 1yx3 s LEU 40 CO 0.00 -0.21 1.46 -1.61 -0.29 0.00 0.00 176.35 175.70 1yx3 s GLU 41 N 1.56 4.26 -0.39 1.98 2.02 -1.26 -4.68 118.70 122.18 1yx3 s GLU 41 Ca 0.03 2.06 -0.22 0.00 0.02 0.00 0.00 54.97 56.87 1yx3 s GLU 41 Cb -0.17 -3.56 0.01 0.00 0.10 0.00 0.00 34.13 30.51 1yx3 s GLU 41 CO 0.05 -0.61 0.71 -0.51 0.02 0.00 0.00 175.26 174.92 1yx3 s LEU 42 N 2.40 4.25 0.00 1.80 1.43 -1.26 -4.97 118.68 122.34 1yx3 s LEU 42 Ca 0.66 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1yx3 s LEU 42 Cb -0.34 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.07 1yx3 s LEU 42 CO 0.28 -0.73 0.53 0.35 0.23 0.00 0.00 176.35 177.01 1yx3 n THR 43 N 5.80 0.00 -0.09 5.49 -2.24 -1.26 -4.81 114.28 117.17 1yx3 n THR 43 Ca 0.01 -0.96 0.13 0.00 -2.27 0.00 0.00 64.05 60.96 1yx3 n THR 43 Cb 0.48 -0.97 0.51 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.37 0.22 -0.78 3.07 -1.98 0.11 114.58 115.59 1yx3 h GLU 44 Ca -0.18 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1yx3 h GLU 44 Cb 0.70 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1yx3 h GLU 44 CO 0.21 0.24 -0.11 0.93 -1.40 0.00 0.00 179.01 178.88 1yx3 h GLU 45 N 0.38 -0.29 -0.10 2.33 5.08 -1.99 -1.27 114.58 118.72 1yx3 h GLU 45 Ca 0.29 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1yx3 h GLU 45 Cb 0.62 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1yx3 h GLU 45 CO -0.08 -0.11 0.03 0.45 -1.00 0.00 0.00 179.01 178.30 1yx3 h HIS 46 N -0.41 0.16 -0.67 4.33 3.86 -1.67 -2.48 115.15 118.27 1yx3 h HIS 46 Ca -0.03 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1yx3 h HIS 46 Cb 0.31 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 1yx3 h HIS 46 CO -0.03 0.31 0.44 -1.49 0.86 0.00 0.00 177.93 178.02 1yx3 h TRP 47 N -0.04 0.75 -0.46 2.45 4.06 -0.83 0.18 115.95 122.06 1yx3 h TRP 47 Ca 0.03 0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1yx3 h TRP 47 Cb 0.23 -0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1yx3 h TRP 47 CO 0.00 0.43 -0.06 0.22 -3.56 0.00 0.00 178.44 175.47 1yx3 h ASP 48 N 0.78 0.86 -0.49 -3.49 3.58 -1.06 0.79 116.42 117.38 1yx3 h ASP 48 Ca 0.27 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.26 1yx3 h ASP 48 Cb 0.11 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1yx3 h ASP 48 CO -0.08 0.99 -0.17 0.40 -2.88 0.00 0.00 179.24 177.50 1yx3 h ILE 49 N 0.70 1.27 -0.12 2.25 2.04 -0.84 0.28 117.51 123.09 1yx3 h ILE 49 Ca 0.12 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1yx3 h ILE 49 Cb 0.59 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1yx3 h ILE 49 CO 0.04 0.46 0.07 0.40 0.00 0.00 0.00 178.15 179.12 1yx3 h ILE 50 N 0.84 1.02 -0.79 -0.67 2.04 -0.53 0.05 117.51 119.47 1yx3 h ILE 50 Ca 0.12 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.90 1yx3 h ILE 50 Cb 0.75 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1yx3 h ILE 50 CO 0.06 0.03 0.38 -1.13 0.00 0.00 0.00 178.15 177.49 1yx3 h ASN 51 N 0.15 1.03 -0.17 1.72 -1.24 -0.70 -1.23 115.58 115.13 1yx3 h ASN 51 Ca 0.05 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 56.93 1yx3 h ASN 51 Cb -0.01 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1yx3 h ASN 51 CO -0.02 0.88 0.07 0.15 -1.29 0.00 0.00 177.43 177.22 1yx3 h PHE 52 N 1.11 0.14 -0.27 0.67 3.57 -0.02 -0.56 116.94 121.58 1yx3 h PHE 52 Ca 0.27 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1yx3 h PHE 52 Cb 0.12 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1yx3 h PHE 52 CO 0.01 0.08 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.97 1yx3 h LEU 53 N 0.17 0.45 0.31 0.59 3.38 -0.81 0.94 115.31 120.33 1yx3 h LEU 53 Ca 0.07 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1yx3 h LEU 53 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1yx3 h LEU 53 CO -0.06 0.61 -0.31 -0.09 0.09 0.00 0.00 178.44 178.68 1yx3 h ARG 54 N 0.43 -0.63 -0.29 1.13 9.65 -0.55 0.53 114.38 124.65 1yx3 h ARG 54 Ca 0.08 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1yx3 h ARG 54 Cb 0.49 0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 1yx3 h ARG 54 CO 0.03 -0.42 0.14 0.93 2.80 0.00 0.00 179.97 183.45 1yx3 h GLU 55 N -0.65 0.29 -0.40 0.20 5.08 -0.81 0.15 114.58 118.44 1yx3 h GLU 55 Ca -0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1yx3 h GLU 55 Cb 0.59 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1yx3 h GLU 55 CO -0.06 0.19 0.26 -0.92 -1.00 0.00 0.00 179.01 177.48 1yx3 h TYR 56 N 0.30 0.51 0.03 4.33 3.20 -0.65 0.07 116.97 124.76 1yx3 h TYR 56 Ca 0.12 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.75 1yx3 h TYR 56 Cb 0.04 -0.17 0.01 0.00 1.54 0.00 0.00 36.73 38.15 1yx3 h TYR 56 CO -0.10 0.33 -1.05 -0.92 -1.64 0.00 0.00 178.16 174.78 1yx3 h TYR 57 N 0.54 0.77 0.00 -3.82 3.20 -0.75 0.12 116.97 117.02 1yx3 h TYR 57 Ca 0.15 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.57 1yx3 h TYR 57 Cb -0.05 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.14 1yx3 h TYR 57 CO -0.05 1.28 0.00 -1.91 -1.64 0.00 0.00 178.16 175.84 1yx3 n GLU 58 N -3.76 0.21 -0.07 1.82 2.13 0.52 -1.17 120.64 120.33 1yx3 n GLU 58 Ca -0.09 0.19 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 1yx3 n GLU 58 Cb 0.89 -1.75 -0.05 0.00 0.27 0.00 0.00 31.44 30.80 1yx3 n GLU 58 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1yx3 n GLU 59 N -2.11 0.30 0.06 5.31 2.13 -0.00 -4.74 120.64 121.59 1yx3 n GLU 59 Ca 0.06 0.12 0.12 0.00 0.66 0.00 0.00 57.16 58.11 1yx3 n GLU 59 Cb 0.39 -1.05 0.07 0.00 0.27 0.00 0.00 31.44 31.12 1yx3 n GLU 59 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1yx3 n TYR 60 N -3.49 0.53 -2.04 4.31 4.01 0.40 -4.95 117.16 115.92 1yx3 n TYR 60 Ca -0.27 0.15 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 1yx3 n TYR 60 Cb 0.71 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 -2.20 -1.26 -4.99 -0.72 3.00 -0.31 -4.99 117.38 105.90 1yx3 n GLN 61 Ca 0.02 0.89 -0.27 0.00 -0.01 0.00 0.00 57.00 57.62 1yx3 n GLN 61 Cb 0.47 -5.24 -0.15 0.00 0.00 0.00 0.00 30.24 25.32 1yx3 n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1yx3 s ILE 62 N -2.76 1.70 -0.35 5.09 1.01 -1.26 -5.01 121.20 119.63 1yx3 s ILE 62 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1yx3 s ILE 62 Cb 0.00 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1yx3 s ILE 62 CO 0.00 0.43 0.19 0.00 0.00 0.00 0.00 174.94 175.57 1yx3 s ALA 63 N -0.56 3.29 0.20 9.38 0.00 -1.26 -3.89 121.76 128.93 1yx3 s ALA 63 Ca 0.08 -1.60 -0.23 0.00 0.00 0.00 0.00 51.96 50.21 1yx3 s ALA 63 Cb -0.08 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 1yx3 s ALA 63 CO -0.00 -1.22 0.76 -1.25 0.00 0.00 0.00 175.76 174.05 1yx3 s PRO 64 N 1.58 4.42 0.80 0.00 0.04 -1.26 -4.83 135.00 135.75 1yx3 s PRO 64 Ca 0.03 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.02 1yx3 s PRO 64 Cb -0.18 -3.05 0.17 0.00 0.04 0.00 0.00 34.50 31.48 1yx3 s PRO 64 CO 0.07 0.47 1.09 0.00 0.04 0.00 0.00 177.00 178.67 1yx3 n ALA 65 N 1.12 -0.71 -0.29 8.56 0.00 -1.26 -4.73 120.51 123.20 1yx3 n ALA 65 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.72 1yx3 n ALA 65 Cb 0.50 0.09 0.20 0.00 0.00 0.00 0.00 19.45 20.23 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 -1.22 1.19 -0.85 0.00 2.07 -1.97 0.28 116.25 115.74 1yx3 h VAL 66 Ca -0.36 -0.39 0.17 0.00 0.82 0.00 0.00 66.70 66.94 1yx3 h VAL 66 Cb 1.10 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1yx3 h VAL 66 CO 0.30 0.21 0.56 -0.09 0.02 0.00 0.00 177.57 178.57 1yx3 h ARG 67 N 1.13 0.49 0.04 1.57 2.43 -2.01 -1.00 114.38 117.03 1yx3 h ARG 67 Ca 0.33 -0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 59.12 1yx3 h ARG 67 Cb -0.07 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 1yx3 h ARG 67 CO -0.08 0.32 -1.96 0.28 -1.51 0.00 0.00 179.97 177.02 1yx3 n VAL 68 N -4.52 1.61 -0.32 0.20 0.31 -0.50 -4.37 118.33 110.74 1yx3 n VAL 68 Ca 0.17 -0.39 0.02 0.00 -0.01 0.00 0.00 64.34 64.13 1yx3 n VAL 68 Cb 0.57 -1.81 0.16 0.00 -0.91 0.00 0.00 33.84 31.85 1yx3 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1yx3 h LEU 69 N -0.49 0.84 -0.91 7.52 5.85 -0.31 -1.63 115.31 126.17 1yx3 h LEU 69 Ca -0.48 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1yx3 h LEU 69 Cb 1.70 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.52 1yx3 h LEU 69 CO -0.14 0.52 0.57 0.74 -0.34 0.00 0.00 178.44 179.79 1yx3 h THR 70 N 0.96 1.03 0.00 1.05 2.02 -1.39 0.20 112.91 116.78 1yx3 h THR 70 Ca 0.39 -0.35 -0.15 0.00 0.77 0.00 0.00 66.41 67.08 1yx3 h THR 70 Cb 0.23 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1yx3 h THR 70 CO -0.19 0.19 -0.87 0.11 0.37 0.00 0.00 175.52 175.12 1yx3 h LYS 71 N 1.02 0.00 -0.32 6.66 1.57 -1.62 -3.05 116.57 120.83 1yx3 h LYS 71 Ca 0.41 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1yx3 h LYS 71 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1yx3 h LYS 71 CO -0.19 0.52 -0.30 0.00 -0.57 0.00 0.00 179.45 178.91 1yx3 h ALA 72 N 1.38 0.46 0.00 3.86 0.00 -0.58 -2.73 119.26 121.65 1yx3 h ALA 72 Ca -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yx3 h ALA 72 Cb 1.52 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1yx3 h ALA 72 CO 0.07 0.49 -0.01 0.28 0.00 0.00 0.00 179.25 180.08 1yx3 h VAL 73 N 0.53 0.52 0.00 0.00 2.07 -0.66 -1.67 116.25 117.04 1yx3 h VAL 73 Ca 0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1yx3 h VAL 73 Cb 0.87 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1yx3 h VAL 73 CO 0.08 0.01 -0.03 1.23 0.02 0.00 0.00 177.57 178.88 1yx3 h GLY 74 N 0.09 0.00 1.24 2.17 0.00 -1.37 0.29 103.07 105.49 1yx3 h GLY 74 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1yx3 h GLY 74 CO 0.00 0.00 -0.99 0.50 0.00 0.00 0.00 176.54 176.05 1yx3 h LYS 75 N 0.00 0.00 0.00 4.80 1.57 -1.41 -3.00 116.57 118.53 1yx3 h LYS 75 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yx3 h LYS 75 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1yx3 h LYS 75 CO 0.00 0.18 -0.39 0.87 -0.57 0.00 0.00 179.45 179.55 1yx3 h LYS 76 N 0.00 0.00 0.00 3.15 1.79 -1.10 -3.40 116.57 117.00 1yx3 h LYS 76 Ca -0.06 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.37 1yx3 h LYS 76 Cb 1.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1yx3 h LYS 76 CO 0.03 0.00 -0.48 -0.07 -1.08 0.00 0.00 179.45 177.85 1yx3 h LEU 77 N -0.88 0.00 0.00 2.94 -0.00 -0.72 -3.50 115.31 113.14 1yx3 h LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1yx3 h LEU 77 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1yx3 h LEU 77 CO 0.00 0.15 0.00 0.61 -0.00 0.00 0.00 178.44 179.20 1yx3 n GLY 78 N 1.17 -0.77 0.37 0.83 0.00 -1.13 -4.60 105.19 101.06 1yx3 n GLY 78 Ca 0.01 -2.25 0.04 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.44 1.47 0.00 1.61 5.02 -1.25 -3.20 118.16 121.37 1yx3 n LYS 79 Ca 0.00 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 1yx3 n LYS 79 Cb 0.00 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1yx3 n LYS 79 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1yx3 n GLU 80 N 0.08 1.29 -4.31 1.97 0.28 -1.26 -5.03 120.64 113.66 1yx3 n GLU 80 Ca 0.07 -1.06 -0.16 0.00 -0.16 0.00 0.00 57.16 55.84 1yx3 n GLU 80 Cb 0.17 -0.99 -0.10 0.00 1.43 0.00 0.00 31.44 31.95 1yx3 n GLU 80 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1yx3 s LYS 81 N -0.57 1.23 0.00 3.44 3.01 -1.20 -5.01 119.74 120.65 1yx3 s LYS 81 Ca 0.00 -1.57 0.00 0.00 -1.01 0.00 0.00 55.97 53.39 1yx3 s LYS 81 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 37.83 36.06 1yx3 s LYS 81 CO 0.00 0.05 0.00 0.41 0.51 0.00 0.00 175.35 176.32 1yx3 n GLY 82 N -0.33 0.94 5.10 -3.33 0.00 -1.26 -4.66 105.19 101.65 1yx3 n GLY 82 Ca -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1yx3 n GLY 82 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yx3 n ASN 83 N 0.00 0.00 0.01 1.61 4.13 -1.26 -2.79 115.26 116.96 1yx3 n ASN 83 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1yx3 n ASN 83 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1yx3 n ASN 83 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1yx3 n SER 84 N 1.51 -0.26 -0.25 6.41 2.88 -1.26 -4.97 113.62 117.68 1yx3 n SER 84 Ca 0.00 0.36 0.03 0.00 -1.33 0.00 0.00 58.87 57.92 1yx3 n SER 84 Cb 0.00 0.56 0.26 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.97 -0.21 -1.46 6.56 -1.98 -1.34 116.57 119.10 1yx3 h LYS 85 Ca 0.00 -0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.48 1yx3 h LYS 85 Cb 0.00 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.43 1yx3 h LYS 85 CO 0.00 0.64 -0.11 -0.92 -2.06 0.00 0.00 179.45 177.00 1yx3 h TYR 86 N 0.99 0.36 0.04 -1.35 3.20 -1.90 -1.10 116.97 117.22 1yx3 h TYR 86 Ca 0.32 -0.04 -0.27 0.00 3.14 0.00 0.00 58.73 61.88 1yx3 h TYR 86 Cb 0.04 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1yx3 h TYR 86 CO -0.00 0.45 -1.39 -0.07 -1.64 0.00 0.00 178.16 175.51 1yx3 h LEU 87 N 0.32 0.14 0.00 2.82 3.38 -1.51 -2.13 115.31 118.33 1yx3 h LEU 87 Ca 0.06 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1yx3 h LEU 87 Cb 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1yx3 h LEU 87 CO 0.02 1.16 0.00 -1.22 0.09 0.00 0.00 178.44 178.50 1yx3 n TYR 88 N -3.30 0.00 -0.10 1.13 4.01 -0.58 -0.77 117.16 117.54 1yx3 n TYR 88 Ca -0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.51 1yx3 n TYR 88 Cb 1.01 -0.47 -0.15 0.00 -0.31 0.00 0.00 39.34 39.42 1yx3 n TYR 88 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1yx3 n SER 89 N -1.47 0.51 0.08 7.72 3.41 -0.45 -3.43 113.62 120.00 1yx3 n SER 89 Ca 0.07 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1yx3 n SER 89 Cb 0.27 0.62 -0.08 0.00 -0.26 0.00 0.00 64.21 64.76 1yx3 n SER 89 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1yx3 h LEU 90 N 0.00 -0.12 -7.29 1.04 3.38 -1.18 -3.37 115.31 107.77 1yx3 h LEU 90 Ca -0.55 -0.14 -0.63 0.00 0.09 0.00 0.00 57.88 56.65 1yx3 h LEU 90 Cb 2.16 0.03 -0.41 0.00 0.09 0.00 0.00 40.66 42.53 1yx3 h LEU 90 CO 0.00 0.06 -0.66 -0.36 0.09 0.00 0.00 178.44 177.58 1yx3 s PHE 91 N -5.52 2.88 -2.00 1.13 0.08 0.05 -4.95 117.98 109.66 1yx3 s PHE 91 Ca -0.14 -2.98 0.17 0.00 0.12 0.00 0.00 56.93 54.10 1yx3 s PHE 91 Cb 0.04 -2.59 1.03 0.00 -0.57 0.00 0.00 43.02 40.93 1yx3 s PHE 91 CO 0.64 -0.75 1.43 -0.35 -0.10 0.00 0.00 175.22 176.09 1yx3 n PRO 92 N 3.24 0.55 -0.18 0.24 -0.04 -1.22 -2.01 135.00 135.59 1yx3 n PRO 92 Ca 0.06 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.57 1yx3 n PRO 92 Cb 0.33 -1.49 0.15 0.00 -0.04 0.00 0.00 33.50 32.46 1yx3 n PRO 92 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1yx3 n TYR 93 N -0.99 0.47 0.00 0.54 9.36 -1.26 -5.00 117.16 120.28 1yx3 n TYR 93 Ca 0.13 -0.50 0.00 0.00 3.32 0.00 0.00 57.90 60.85 1yx3 n TYR 93 Cb 0.06 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 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 0.50 2.44 0.14 2.98 0.00 -0.85 -4.71 105.19 105.70 1yx3 n GLY 94 Ca 0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.14 -0.36 1.61 0.11 -1.77 0.12 132.00 131.57 1yx3 h PRO 95 Ca 0.00 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 1yx3 h PRO 95 Cb 0.00 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1yx3 h PRO 95 CO 0.00 -0.09 -0.29 0.00 -0.21 0.00 0.00 178.00 177.41 1yx3 h ALA 96 N -0.96 0.82 -0.40 -0.75 0.00 -1.93 -1.67 119.26 114.38 1yx3 h ALA 96 Ca 0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1yx3 h ALA 96 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1yx3 h ALA 96 CO -0.17 0.64 -0.31 -0.22 0.00 0.00 0.00 179.25 179.19 1yx3 h LYS 97 N 0.65 0.89 0.08 0.00 3.64 -1.85 -0.92 116.57 119.05 1yx3 h LYS 97 Ca 0.08 -0.42 -0.28 0.00 -1.27 0.00 0.00 60.65 58.76 1yx3 h LYS 97 Cb 0.81 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1yx3 h LYS 97 CO 0.07 1.07 -1.16 1.96 -2.27 0.00 0.00 179.45 179.12 1yx3 h GLN 98 N 0.74 0.57 -0.33 1.90 1.08 -0.75 -1.84 115.11 116.48 1yx3 h GLN 98 Ca 0.08 -0.72 0.02 0.00 -1.45 0.00 0.00 58.65 56.59 1yx3 h GLN 98 Cb 0.88 0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 28.51 1yx3 h GLN 98 CO 0.08 1.31 0.16 0.00 -0.95 0.00 0.00 178.83 179.43 1yx3 h ALA 99 N 0.42 0.40 0.00 3.87 0.00 -1.19 -1.43 119.26 121.33 1yx3 h ALA 99 Ca -0.15 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1yx3 h ALA 99 Cb 1.82 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1yx3 h ALA 99 CO 0.22 -0.21 -0.41 0.00 0.00 0.00 0.00 179.25 178.85 1yx3 h ARG 101 N 0.00 1.15 0.03 0.00 2.43 -0.41 0.42 114.38 118.00 1yx3 h ARG 101 Ca -0.00 -0.19 -0.26 0.00 -0.81 0.00 0.00 59.98 58.72 1yx3 h ARG 101 Cb 0.81 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1yx3 h ARG 101 CO 0.05 0.91 -1.35 0.74 -1.51 0.00 0.00 179.97 178.81 1yx3 h PHE 102 N 1.13 0.13 0.00 2.20 0.04 -1.07 -3.30 116.94 116.07 1yx3 h PHE 102 Ca 0.26 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1yx3 h PHE 102 Cb 0.17 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1yx3 h PHE 102 CO 0.02 1.11 0.00 0.00 -0.60 0.00 0.00 178.31 178.83 1yx3 n ALA 103 N -2.50 2.53 -2.44 2.45 0.00 -0.29 -4.05 120.51 116.21 1yx3 n ALA 103 Ca -0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.15 1yx3 n ALA 103 Cb 1.00 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 0.94 0.61 3.34 0.00 0.00 -0.49 -4.74 105.19 104.84 1yx3 n GLY 104 Ca 0.19 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.05 2.39 -0.08 0.99 1.43 0.14 -4.70 118.68 116.79 1yx3 s LEU 105 Ca 0.04 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1yx3 s LEU 105 Cb -0.02 -1.48 -0.16 0.00 0.03 0.00 0.00 46.19 44.56 1yx3 s LEU 105 CO 0.08 0.24 3.23 -0.81 0.23 0.00 0.00 176.35 179.32 1yx3 n PRO 106 N 3.02 1.93 -1.01 1.29 -0.04 -1.26 -4.27 135.00 134.65 1yx3 n PRO 106 Ca -0.18 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1yx3 n PRO 106 Cb 0.52 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 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 2.03 -2.63 -1.08 0.54 5.02 -1.26 -4.68 118.16 116.10 1yx3 n LYS 107 Ca 0.38 1.95 -0.36 0.00 -2.02 0.00 0.00 58.31 58.26 1yx3 n LYS 107 Cb 0.79 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1yx3 n LYS 107 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1yx3 n PRO 108 N 0.23 1.94 -3.52 1.97 -0.02 -1.26 -4.92 135.00 129.43 1yx3 n PRO 108 Ca 0.00 -1.81 -0.28 0.00 -2.02 0.00 0.00 63.50 59.39 1yx3 n PRO 108 Cb 0.00 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 30.66 1yx3 n PRO 108 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yx3 s THR 109 N 4.14 5.12 0.00 3.45 2.01 -1.26 -4.62 115.64 124.48 1yx3 s THR 109 Ca 0.51 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1yx3 s THR 109 Cb 0.13 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1yx3 s THR 109 CO 0.04 -0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 1yx3 n GLY 110 N -0.84 4.06 1.50 4.40 0.00 -1.26 -4.92 105.19 108.13 1yx3 n GLY 110 Ca -0.03 -0.93 0.06 0.00 0.00 0.00 0.00 46.02 45.11 1yx3 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32