#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 s SER 2 N 0.00 3.30 -1.05 1.61 0.01 -1.26 -5.07 113.70 111.24 2yu3 s SER 2 Ca 0.00 -0.67 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2yu3 s SER 2 Cb 0.00 -0.27 0.29 0.00 0.21 0.00 0.00 66.02 66.25 2yu3 s SER 2 CO 0.00 0.21 1.29 -0.24 0.41 0.00 0.00 173.24 174.92 2yu3 n SER 3 N 1.28 5.87 0.00 2.44 2.88 -1.26 -4.58 113.62 120.25 2yu3 n SER 3 Ca -0.17 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.07 2yu3 n SER 3 Cb 0.52 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.74 2yu3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu3 n GLY 4 N 1.71 -1.49 4.00 0.46 0.00 -1.26 -5.18 105.19 103.44 2yu3 n GLY 4 Ca 0.25 0.54 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 2yu3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu3 s SER 5 N 0.00 5.73 -0.18 1.61 0.01 -1.26 -5.10 113.70 114.50 2yu3 s SER 5 Ca 0.00 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 2yu3 s SER 5 Cb 0.00 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 2yu3 s SER 5 CO 0.00 -0.68 0.06 -0.94 0.41 0.00 0.00 173.24 172.08 2yu3 s SER 6 N -4.31 5.57 0.00 2.44 1.04 -1.26 -5.10 113.70 112.08 2yu3 s SER 6 Ca 0.53 0.06 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2yu3 s SER 6 Cb -0.10 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2yu3 s SER 6 CO 0.33 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.33 2yu3 n GLY 7 N 3.56 0.69 0.00 7.32 0.00 -1.26 -5.09 105.19 110.42 2yu3 n GLY 7 Ca -0.17 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2yu3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLY 8 N 4.74 -1.41 1.45 -0.02 0.00 -1.26 -5.17 105.19 103.51 2yu3 n GLY 8 Ca 0.00 0.74 0.20 0.00 0.00 0.00 0.00 46.02 46.96 2yu3 n GLY 8 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2yu3 n GLN 9 N 0.00 -2.95 -1.46 1.61 -0.06 -1.26 -5.00 117.38 108.26 2yu3 n GLN 9 Ca 0.00 2.00 0.19 0.00 -2.00 0.00 0.00 57.00 57.19 2yu3 n GLN 9 Cb 0.00 -3.59 -0.06 0.00 -4.06 0.00 0.00 30.24 22.53 2yu3 n GLN 9 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2yu3 n LEU 10 N -4.26 -0.84 -4.20 1.69 4.32 -1.26 -5.03 117.00 107.42 2yu3 n LEU 10 Ca 0.00 1.91 -0.17 0.00 -0.02 0.00 0.00 56.01 57.74 2yu3 n LEU 10 Cb 0.66 -4.65 -0.07 0.00 -1.62 0.00 0.00 43.42 37.75 2yu3 n LEU 10 CO 0.01 -3.28 -0.04 1.51 -1.22 0.00 0.00 177.39 174.37 2yu3 s ASP 11 N -7.25 1.19 -0.29 -1.43 -4.77 -1.26 -5.14 116.67 97.71 2yu3 s ASP 11 Ca 0.00 -1.60 0.02 0.00 -3.30 0.00 0.00 52.55 47.67 2yu3 s ASP 11 Cb 0.00 0.57 0.07 0.00 -1.09 0.00 0.00 42.92 42.47 2yu3 s ASP 11 CO 0.00 -1.12 -0.04 -0.76 0.70 0.00 0.00 175.17 173.95 2yu3 s LEU 12 N -3.29 3.91 0.02 2.11 1.43 -1.26 -5.10 118.68 116.50 2yu3 s LEU 12 Ca 0.37 -1.58 0.03 0.00 -1.03 0.00 0.00 54.13 51.92 2yu3 s LEU 12 Cb 0.02 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2yu3 s LEU 12 CO 0.23 -0.26 -0.03 -0.22 0.23 0.00 0.00 176.35 176.30 2yu3 s LEU 13 N 1.08 3.37 -1.13 1.79 2.96 -1.26 -5.05 118.68 120.45 2yu3 s LEU 13 Ca -0.03 -0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.71 2yu3 s LEU 13 Cb -0.20 -1.98 0.27 0.00 0.50 0.00 0.00 46.19 44.78 2yu3 s LEU 13 CO -0.05 0.26 1.44 0.54 -1.32 0.00 0.00 176.35 177.21 2yu3 n ARG 14 N 1.25 4.03 -2.21 1.98 5.12 -1.26 -5.00 116.66 120.57 2yu3 n ARG 14 Ca -0.14 -4.34 -0.12 0.00 -1.93 0.00 0.00 57.85 51.32 2yu3 n ARG 14 Cb 0.52 -2.62 0.04 0.00 -1.16 0.00 0.00 32.46 29.25 2yu3 n ARG 14 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2yu3 n SER 15 N 2.34 1.30 -4.59 0.55 3.41 -1.26 -5.03 113.62 110.34 2yu3 n SER 15 Ca 0.28 -1.92 -0.42 0.00 -0.26 0.00 0.00 58.87 56.55 2yu3 n SER 15 Cb 0.36 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 2yu3 n SER 15 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2yu3 s ASN 16 N -3.10 6.28 -0.08 4.04 3.84 -1.26 -4.84 114.94 119.82 2yu3 s ASN 16 Ca 0.34 0.52 -0.10 0.00 0.21 0.00 0.00 52.86 53.83 2yu3 s ASN 16 Cb -0.03 -2.54 -0.03 0.00 -0.55 0.00 0.00 41.25 38.10 2yu3 s ASN 16 CO 0.22 -1.54 -0.19 0.41 -2.79 0.00 0.00 177.10 173.21 2yu3 n THR 17 N 6.95 1.08 0.00 -5.21 -1.04 -1.26 -5.15 114.28 109.65 2yu3 n THR 17 Ca 0.14 0.25 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 2yu3 n THR 17 Cb 0.49 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 2yu3 n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yu3 n GLY 18 N 2.01 0.50 3.77 3.41 0.00 -1.26 -4.59 105.19 109.02 2yu3 n GLY 18 Ca -0.08 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 2yu3 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu3 s LEU 19 N 0.00 3.69 0.09 0.99 1.43 -1.26 -4.84 118.68 118.77 2yu3 s LEU 19 Ca 0.00 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2yu3 s LEU 19 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2yu3 s LEU 19 CO 0.00 0.06 0.22 -0.22 0.23 0.00 0.00 176.35 176.64 2yu3 s LEU 20 N -3.17 4.31 0.09 1.79 2.96 -1.05 -1.61 118.68 121.99 2yu3 s LEU 20 Ca 0.30 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.45 2yu3 s LEU 20 Cb -0.10 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2yu3 s LEU 20 CO 0.22 0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.01 2yu3 s TYR 21 N -1.57 0.83 0.07 5.38 1.51 -0.18 -2.10 117.35 121.29 2yu3 s TYR 21 Ca 0.34 -0.84 -0.23 0.00 -1.01 0.00 0.00 57.07 55.33 2yu3 s TYR 21 Cb -0.12 -0.49 0.06 0.00 -0.11 0.00 0.00 41.96 41.29 2yu3 s TYR 21 CO 0.28 -0.15 0.55 1.03 -1.11 0.00 0.00 175.55 176.15 2yu3 s ARG 22 N -3.42 1.10 0.47 -0.62 0.52 -0.95 -0.69 118.95 115.37 2yu3 s ARG 22 Ca 0.08 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.92 2yu3 s ARG 22 Cb 0.03 0.50 -0.05 0.00 0.52 0.00 0.00 34.95 35.94 2yu3 s ARG 22 CO -0.04 -0.41 0.84 0.96 0.02 0.00 0.00 175.30 176.66 2yu3 s ILE 23 N -2.71 4.78 -0.26 1.52 -4.36 -1.26 -0.22 121.20 118.70 2yu3 s ILE 23 Ca -0.04 0.61 -0.07 0.00 -0.26 0.00 0.00 60.65 60.89 2yu3 s ILE 23 Cb -0.00 -3.79 -0.02 0.00 1.25 0.00 0.00 42.46 39.90 2yu3 s ILE 23 CO -0.04 -0.73 0.06 -0.75 0.24 0.00 0.00 174.94 173.73 2yu3 s LYS 24 N -4.33 3.50 1.11 0.37 2.20 -0.11 -4.48 119.74 118.00 2yu3 s LYS 24 Ca 0.52 -0.58 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2yu3 s LYS 24 Cb -0.10 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 2yu3 s LYS 24 CO 0.39 -0.25 0.00 -3.47 -0.36 0.00 0.00 175.35 171.66 2yu3 n ASP 25 N 4.90 -4.58 -2.30 1.43 2.03 -1.26 -4.74 116.55 112.03 2yu3 n ASP 25 Ca -0.16 0.26 -0.02 0.00 0.52 0.00 0.00 54.79 55.38 2yu3 n ASP 25 Cb 0.51 -0.75 0.07 0.00 -0.72 0.00 0.00 41.12 40.22 2yu3 n ASP 25 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2yu3 n SER 26 N -3.56 -0.73 -0.80 1.67 2.88 -1.26 -4.92 113.62 106.91 2yu3 n SER 26 Ca 0.00 -2.13 -0.04 0.00 -1.33 0.00 0.00 58.87 55.37 2yu3 n SER 26 Cb 0.11 0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yu3 n GLN 27 N -0.97 0.00 -3.27 -1.46 10.64 -1.26 -5.05 117.38 116.00 2yu3 n GLN 27 Ca -0.14 -0.64 -0.19 0.00 -1.83 0.00 0.00 57.00 54.20 2yu3 n GLN 27 Cb 0.85 0.40 -0.07 0.00 -0.86 0.00 0.00 30.24 30.55 2yu3 n GLN 27 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2yu3 s ASN 28 N -0.64 0.89 -0.27 2.61 3.84 -1.26 -5.10 114.94 115.01 2yu3 s ASN 28 Ca 0.00 -2.12 -0.09 0.00 0.21 0.00 0.00 52.86 50.86 2yu3 s ASN 28 Cb 0.00 0.43 0.12 0.00 -0.55 0.00 0.00 41.25 41.25 2yu3 s ASN 28 CO 0.00 -0.20 0.59 0.00 -2.79 0.00 0.00 177.10 174.70 2yu3 s ALA 29 N 0.87 -1.80 0.00 1.71 0.00 -1.26 -4.94 121.76 116.34 2yu3 s ALA 29 Ca 0.24 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.32 2yu3 s ALA 29 Cb -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2yu3 s ALA 29 CO -0.08 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.22 2yu3 n GLY 30 N 5.41 -1.57 0.92 0.00 0.00 -1.26 -4.90 105.19 103.78 2yu3 n GLY 30 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yu3 n LYS 31 N 0.00 0.00 -0.72 1.61 0.00 -1.26 -5.15 118.16 112.63 2yu3 n LYS 31 Ca 0.00 -0.87 0.10 0.00 -0.00 0.00 0.00 58.31 57.54 2yu3 n LYS 31 Cb 0.00 0.32 -0.02 0.00 -0.00 0.00 0.00 35.03 35.32 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2yu3 n MET 32 N 0.04 -1.46 -3.90 -1.58 2.81 -1.26 -4.97 117.12 106.80 2yu3 n MET 32 Ca -0.18 0.96 -0.09 0.00 -1.81 0.00 0.00 57.70 56.58 2yu3 n MET 32 Cb 0.70 -1.78 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 2yu3 n MET 32 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2yu3 s LYS 33 N -1.22 0.77 4.29 0.03 1.02 -1.26 -5.05 119.74 118.32 2yu3 s LYS 33 Ca 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2yu3 s LYS 33 Cb 0.00 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 2yu3 s LYS 33 CO 0.00 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2yu3 n GLY 34 N 0.09 2.77 3.56 -3.33 0.00 -1.26 -4.02 105.19 103.00 2yu3 n GLY 34 Ca -0.15 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2yu3 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu3 s SER 35 N -4.00 4.68 0.09 1.61 0.01 -1.26 -4.70 113.70 110.13 2yu3 s SER 35 Ca 0.00 -0.35 0.15 0.00 1.31 0.00 0.00 55.95 57.07 2yu3 s SER 35 Cb 0.00 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.56 2yu3 s SER 35 CO 0.00 -3.14 0.93 0.44 0.41 0.00 0.00 173.24 171.88 2yu3 h ASP 36 N 12.08 0.00 0.77 2.44 3.32 -1.96 -3.15 116.42 129.93 2yu3 h ASP 36 Ca 0.04 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2yu3 h ASP 36 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2yu3 h ASP 36 CO 1.14 0.63 -0.48 -1.13 -1.72 0.00 0.00 179.24 177.68 2yu3 h ASN 37 N 0.00 0.00 0.92 6.45 -0.73 -1.95 0.24 115.58 120.51 2yu3 h ASN 37 Ca -0.14 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 57.86 2yu3 h ASN 37 Cb 1.61 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 40.17 2yu3 h ASN 37 CO 0.06 0.48 -1.16 1.56 -0.37 0.00 0.00 177.43 178.00 2yu3 h GLN 38 N 0.00 0.00 0.13 6.67 7.50 -1.96 -3.35 115.11 124.11 2yu3 h GLN 38 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.79 2yu3 h GLN 38 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.52 2yu3 h GLN 38 CO 0.06 0.42 -1.86 0.93 -1.50 0.00 0.00 178.83 176.88 2yu3 h GLU 39 N 0.00 0.28 -0.76 1.46 5.08 -1.49 -3.34 114.58 115.81 2yu3 h GLU 39 Ca -0.12 -0.49 0.21 0.00 -1.00 0.00 0.00 59.36 57.97 2yu3 h GLU 39 Cb 1.59 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 2yu3 h GLU 39 CO 0.06 1.18 0.54 1.57 -1.00 0.00 0.00 179.01 181.37 2yu3 h LYS 40 N 0.08 0.04 -0.04 2.33 2.10 -0.67 0.30 116.57 120.71 2yu3 h LYS 40 Ca -0.37 -0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.07 2yu3 h LYS 40 Cb 2.05 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2yu3 h LYS 40 CO 0.12 0.03 -0.82 1.25 -2.00 0.00 0.00 179.45 178.03 2yu3 h LEU 41 N 0.04 0.45 0.03 7.07 5.85 -1.69 -2.92 115.31 124.15 2yu3 h LEU 41 Ca 0.37 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 2yu3 h LEU 41 Cb 1.39 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.30 2yu3 h LEU 41 CO -0.02 1.10 -0.43 0.58 -0.34 0.00 0.00 178.44 179.33 2yu3 h VAL 42 N 0.23 1.54 -0.75 1.05 2.07 -0.70 -3.23 116.25 116.46 2yu3 h VAL 42 Ca -0.05 -2.16 0.11 0.00 0.82 0.00 0.00 66.70 65.42 2yu3 h VAL 42 Cb 1.43 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 34.05 2yu3 h VAL 42 CO 0.14 0.60 0.49 0.22 0.02 0.00 0.00 177.57 179.04 2yu3 h TYR 43 N -0.44 0.65 -0.62 1.57 3.20 -0.74 -1.02 116.97 119.57 2yu3 h TYR 43 Ca -0.06 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2yu3 h TYR 43 Cb 1.22 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2yu3 h TYR 43 CO 0.19 0.29 0.26 1.96 -1.64 0.00 0.00 178.16 179.22 2yu3 h GLN 44 N 0.60 0.92 -0.41 1.82 1.08 -1.58 0.13 115.11 117.68 2yu3 h GLN 44 Ca 0.35 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2yu3 h GLN 44 Cb 0.55 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2yu3 h GLN 44 CO -0.13 0.77 0.01 0.82 -0.95 0.00 0.00 178.83 179.36 2yu3 h ILE 45 N 0.86 1.26 -0.17 2.54 2.04 -1.24 -1.02 117.51 121.78 2yu3 h ILE 45 Ca 0.21 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 2yu3 h ILE 45 Cb 0.19 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2yu3 h ILE 45 CO -0.02 0.34 -0.38 0.40 0.00 0.00 0.00 178.15 178.49 2yu3 h ILE 46 N 0.55 1.30 -0.30 -0.67 2.04 -1.17 -3.02 117.51 116.24 2yu3 h ILE 46 Ca 0.12 -1.49 -0.17 0.00 1.00 0.00 0.00 64.86 64.31 2yu3 h ILE 46 Cb 0.46 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2yu3 h ILE 46 CO 0.02 0.46 -0.50 -0.08 0.00 0.00 0.00 178.15 178.04 2yu3 h GLU 47 N 0.31 0.83 0.00 2.37 4.22 -0.57 -2.94 114.58 118.80 2yu3 h GLU 47 Ca 0.03 -0.50 -0.01 0.00 0.08 0.00 0.00 59.36 58.96 2yu3 h GLU 47 Cb 0.82 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2yu3 h GLU 47 CO 0.07 1.13 -0.06 -0.44 -2.18 0.00 0.00 179.01 177.53 2yu3 h ASP 48 N 0.65 0.00 0.24 1.04 3.32 -1.07 -1.55 116.42 119.05 2yu3 h ASP 48 Ca 0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2yu3 h ASP 48 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2yu3 h ASP 48 CO 0.11 0.06 -0.41 0.00 -1.72 0.00 0.00 179.24 177.28 2yu3 h ALA 49 N 1.94 1.12 -0.59 3.45 0.00 -1.40 -3.48 119.26 120.30 2yu3 h ALA 49 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2yu3 h ALA 49 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yu3 h ALA 49 CO 0.01 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2yu3 n GLY 50 N -0.19 2.34 0.09 0.00 0.00 -0.58 -2.24 105.19 104.60 2yu3 n GLY 50 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2yu3 n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yu3 n ASN 51 N 10.25 0.78 0.03 1.61 0.23 -1.26 -4.05 115.26 122.84 2yu3 n ASN 51 Ca 0.00 0.35 0.01 0.00 -0.53 0.00 0.00 54.58 54.42 2yu3 n ASN 51 Cb 0.00 0.20 0.35 0.00 -2.08 0.00 0.00 39.78 38.25 2yu3 n ASN 51 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2yu3 h LYS 52 N 0.00 0.46 -0.98 -3.83 1.57 -1.85 -3.49 116.57 108.46 2yu3 h LYS 52 Ca -0.23 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 58.56 2yu3 h LYS 52 Cb 1.75 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.94 2yu3 h LYS 52 CO 0.05 0.47 -0.35 0.41 -0.57 0.00 0.00 179.45 179.46 2yu3 n GLY 53 N -1.00 -2.86 3.21 3.86 0.00 -1.23 -4.97 105.19 102.21 2yu3 n GLY 53 Ca 0.01 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 2yu3 n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yu3 s ILE 54 N -3.42 1.84 0.45 -0.61 2.07 0.13 -4.86 121.20 116.80 2yu3 s ILE 54 Ca 0.00 -0.94 -0.22 0.00 -1.41 0.00 0.00 60.65 58.08 2yu3 s ILE 54 Cb 0.00 -1.57 -0.08 0.00 0.13 0.00 0.00 42.46 40.94 2yu3 s ILE 54 CO 0.00 0.51 1.06 0.26 -1.91 0.00 0.00 174.94 174.86 2yu3 s TRP 55 N -0.02 3.09 0.54 3.50 0.52 -1.26 -1.01 118.94 124.31 2yu3 s TRP 55 Ca -0.06 1.60 0.28 0.00 0.02 0.00 0.00 56.10 57.95 2yu3 s TRP 55 Cb -0.14 -3.12 1.45 0.00 -1.15 0.00 0.00 33.47 30.51 2yu3 s TRP 55 CO 0.04 -0.83 1.94 1.03 0.02 0.00 0.00 176.95 179.16 2yu3 h SER 56 N 1.98 0.00 0.40 2.95 0.87 -1.64 0.28 113.55 118.39 2yu3 h SER 56 Ca -0.49 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.88 2yu3 h SER 56 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2yu3 h SER 56 CO 0.60 0.00 -0.80 -0.09 -0.53 0.00 0.00 176.83 176.01 2yu3 h ARG 57 N 0.00 0.31 0.15 2.24 2.43 -1.84 -2.63 114.38 115.04 2yu3 h ARG 57 Ca 0.31 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2yu3 h ARG 57 Cb 1.30 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 2yu3 h ARG 57 CO -0.00 0.96 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.90 2yu3 h ASP 58 N 0.20 -0.17 -0.30 -3.80 3.32 -0.88 -2.64 116.42 112.14 2yu3 h ASP 58 Ca -0.04 -0.24 0.09 0.00 0.02 0.00 0.00 57.03 56.85 2yu3 h ASP 58 Cb 1.39 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2yu3 h ASP 58 CO 0.13 0.39 0.30 1.62 -1.72 0.00 0.00 179.24 179.96 2yu3 h VAL 59 N -0.99 0.49 0.05 -1.35 3.04 -1.22 -0.45 116.25 115.82 2yu3 h VAL 59 Ca -0.02 0.00 -0.23 0.00 -1.01 0.00 0.00 66.70 65.44 2yu3 h VAL 59 Cb 0.41 0.77 0.02 0.00 -2.01 0.00 0.00 31.29 30.47 2yu3 h VAL 59 CO 0.03 0.00 -0.94 -0.09 -1.01 0.00 0.00 177.57 175.57 2yu3 h ARG 60 N 0.00 0.55 0.15 4.17 2.43 -1.51 -2.43 114.38 117.73 2yu3 h ARG 60 Ca 0.14 -0.66 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 2yu3 h ARG 60 Cb 0.74 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2yu3 h ARG 60 CO -0.00 1.26 -0.07 -0.92 -1.51 0.00 0.00 179.97 178.73 2yu3 h TYR 61 N 0.12 -0.18 -0.24 2.20 3.20 -0.75 0.24 116.97 121.55 2yu3 h TYR 61 Ca -0.13 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 2yu3 h TYR 61 Cb 1.63 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.95 2yu3 h TYR 61 CO 0.13 0.15 0.11 0.87 -1.64 0.00 0.00 178.16 177.78 2yu3 h LYS 62 N -0.53 0.33 0.00 1.82 1.57 -1.34 -1.49 116.57 116.93 2yu3 h LYS 62 Ca -0.02 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2yu3 h LYS 62 Cb 0.41 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2yu3 h LYS 62 CO 0.03 0.26 -0.59 1.03 -0.57 0.00 0.00 179.45 179.61 2yu3 h SER 63 N 0.33 0.00 -4.97 0.86 0.87 -1.32 -3.48 113.55 105.85 2yu3 h SER 63 Ca 0.09 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.31 2yu3 h SER 63 Cb 0.05 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.12 2yu3 h SER 63 CO -0.01 0.45 -0.56 -3.20 -0.53 0.00 0.00 176.83 172.97 2yu3 n ASN 64 N -3.15 -5.67 -4.35 6.23 4.05 0.81 -5.01 115.26 108.17 2yu3 n ASN 64 Ca 0.01 -0.44 -0.30 0.00 0.45 0.00 0.00 54.58 54.30 2yu3 n ASN 64 Cb 0.72 -4.29 -0.15 0.00 1.23 0.00 0.00 39.78 37.29 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2yu3 s LEU 65 N -6.24 2.18 0.67 1.20 1.43 -1.06 -5.06 118.68 111.80 2yu3 s LEU 65 Ca 0.48 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.87 2yu3 s LEU 65 Cb -0.21 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2yu3 s LEU 65 CO 0.59 0.27 1.11 -2.16 0.23 0.00 0.00 176.35 176.39 2yu3 s PRO 66 N -1.15 2.77 0.33 1.29 0.04 -1.26 -4.72 135.00 132.29 2yu3 s PRO 66 Ca 0.12 1.37 0.08 0.00 0.04 0.00 0.00 61.00 62.61 2yu3 s PRO 66 Cb -0.10 -1.95 0.79 0.00 0.04 0.00 0.00 34.50 33.28 2yu3 s PRO 66 CO 0.02 -1.27 1.80 1.37 0.04 0.00 0.00 177.00 178.96 2yu3 h LEU 67 N -0.04 0.73 -2.00 -3.56 8.10 -1.98 0.27 115.31 116.82 2yu3 h LEU 67 Ca -0.47 0.08 0.11 0.00 0.11 0.00 0.00 57.88 57.71 2yu3 h LEU 67 Cb 1.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.39 2yu3 h LEU 67 CO 0.54 0.29 0.28 0.00 -4.11 0.00 0.00 178.44 175.43 2yu3 h THR 68 N 0.72 0.80 0.00 0.15 1.03 -1.99 0.23 112.91 113.85 2yu3 h THR 68 Ca 0.54 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.94 2yu3 h THR 68 Cb 0.90 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2yu3 h THR 68 CO -0.32 0.00 -0.40 -0.33 -0.01 0.00 0.00 175.52 174.46 2yu3 h GLU 69 N 0.00 0.00 -0.85 0.00 4.39 -0.87 -3.36 114.58 113.90 2yu3 h GLU 69 Ca 0.18 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.12 2yu3 h GLU 69 Cb 0.74 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2yu3 h GLU 69 CO -0.00 0.03 0.60 0.82 -1.16 0.00 0.00 179.01 179.30 2yu3 h ILE 70 N -1.00 0.61 -0.76 3.13 1.08 -1.16 0.98 117.51 120.39 2yu3 h ILE 70 Ca -0.01 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 2yu3 h ILE 70 Cb 0.41 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 2yu3 h ILE 70 CO -0.01 0.02 0.49 0.78 -0.69 0.00 0.00 178.15 178.74 2yu3 h ASN 71 N 0.10 0.81 0.51 1.72 4.21 -0.71 0.24 115.58 122.46 2yu3 h ASN 71 Ca 0.41 -0.01 -0.30 0.00 1.21 0.00 0.00 56.30 57.62 2yu3 h ASN 71 Cb 1.49 -0.18 0.01 0.00 -1.12 0.00 0.00 38.32 38.51 2yu3 h ASN 71 CO -0.05 0.56 -1.37 0.50 -1.29 0.00 0.00 177.43 175.79 2yu3 h LYS 72 N 0.96 0.32 0.68 0.81 3.64 -1.02 -3.18 116.57 118.78 2yu3 h LYS 72 Ca 0.30 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2yu3 h LYS 72 Cb -0.01 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2yu3 h LYS 72 CO -0.10 1.24 -0.33 0.82 -2.27 0.00 0.00 179.45 178.82 2yu3 h ILE 73 N 0.09 0.16 -0.88 2.00 2.04 -0.83 0.24 117.51 120.33 2yu3 h ILE 73 Ca -0.19 -0.27 0.21 0.00 1.00 0.00 0.00 64.86 65.61 2yu3 h ILE 73 Cb 2.03 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2yu3 h ILE 73 CO 0.21 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.90 2yu3 h LEU 74 N -1.14 0.32 -0.01 1.44 3.38 -0.68 0.20 115.31 118.83 2yu3 h LEU 74 Ca -0.09 0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 2yu3 h LEU 74 Cb 0.73 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2yu3 h LEU 74 CO 0.15 0.13 -1.07 0.50 0.09 0.00 0.00 178.44 178.24 2yu3 h LYS 75 N 0.32 0.13 0.93 1.13 1.63 -1.50 -3.20 116.57 116.01 2yu3 h LYS 75 Ca 0.45 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 2yu3 h LYS 75 Cb 1.25 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2yu3 h LYS 75 CO -0.14 1.07 -0.45 -0.97 -3.45 0.00 0.00 179.45 175.51 2yu3 h ASN 76 N 0.04 -1.06 -0.95 4.20 -0.73 0.27 -2.38 115.58 114.97 2yu3 h ASN 76 Ca -0.06 0.04 0.19 0.00 1.87 0.00 0.00 56.30 58.34 2yu3 h ASN 76 Cb 1.80 0.27 -0.08 0.00 0.27 0.00 0.00 38.32 40.58 2yu3 h ASN 76 CO 0.16 -0.74 0.61 -0.07 -0.37 0.00 0.00 177.43 177.01 2yu3 h LEU 77 N -1.27 0.60 0.45 0.34 3.38 -1.54 -1.76 115.31 115.51 2yu3 h LEU 77 Ca -0.13 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2yu3 h LEU 77 Cb 0.96 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2yu3 h LEU 77 CO 0.21 0.23 -0.36 -0.08 0.09 0.00 0.00 178.44 178.54 2yu3 h GLU 78 N 0.60 -0.77 -0.74 1.13 4.22 -1.50 -2.15 114.58 115.37 2yu3 h GLU 78 Ca 0.52 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.09 2yu3 h GLU 78 Cb 1.01 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2yu3 h GLU 78 CO -0.27 -0.52 0.48 1.03 -2.18 0.00 0.00 179.01 177.56 2yu3 h SER 79 N -0.80 0.62 0.52 1.04 0.87 -0.83 0.24 113.55 115.21 2yu3 h SER 79 Ca -0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2yu3 h SER 79 Cb 0.69 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2yu3 h SER 79 CO -0.01 0.39 0.00 0.29 -0.53 0.00 0.00 176.83 176.97 2yu3 n LYS 80 N -4.49 0.11 -2.77 2.24 5.02 -0.77 -4.86 118.16 112.64 2yu3 n LYS 80 Ca 0.12 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 2yu3 n LYS 80 Cb 0.29 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.59 2yu3 n LYS 80 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2yu3 n LYS 81 N -1.94 -3.53 -0.06 1.97 4.81 0.85 -4.90 118.16 115.37 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.29 -0.16 0.00 0.02 0.00 0.00 35.03 29.77 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2yu3 n LEU 82 N -3.19 0.07 -4.62 3.14 4.77 -1.06 -4.97 117.00 111.14 2yu3 n LEU 82 Ca -0.12 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 2yu3 n LEU 82 Cb 0.61 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 2yu3 n LEU 82 CO 0.36 0.28 -0.25 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.91 1.27 -0.06 -0.08 -4.36 -1.25 -0.94 121.20 112.88 2yu3 s ILE 83 Ca -0.09 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.31 2yu3 s ILE 83 CO 0.86 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.37 0.28 0.37 -2.85 0.69 -4.63 119.74 110.17 2yu3 s LYS 84 Ca 0.22 0.19 -0.28 0.00 -1.00 0.00 0.00 55.97 55.10 2yu3 s LYS 84 Cb 0.05 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.94 2yu3 s LYS 84 CO 0.11 -0.30 0.98 0.00 0.10 0.00 0.00 175.35 176.24 2yu3 s ALA 85 N 1.95 3.29 -0.15 0.59 0.00 -1.26 -2.24 121.76 123.94 2yu3 s ALA 85 Ca 0.04 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 2yu3 s ALA 85 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.81 2yu3 s ALA 85 CO -0.04 0.11 -0.04 0.14 0.00 0.00 0.00 175.76 175.92 2yu3 s VAL 86 N -1.34 0.96 -0.12 0.00 -7.23 -0.89 -4.95 120.40 106.82 2yu3 s VAL 86 Ca 0.46 -0.47 -0.19 0.00 -1.81 0.00 0.00 61.98 59.97 2yu3 s VAL 86 Cb -0.24 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2yu3 s VAL 86 CO 0.31 0.16 0.50 -1.59 -0.31 0.00 0.00 175.10 174.17 2yu3 s LYS 87 N 1.71 4.34 -0.44 4.82 -2.85 -1.26 -2.51 119.74 123.54 2yu3 s LYS 87 Ca 0.02 0.49 -0.11 0.00 -1.00 0.00 0.00 55.97 55.37 2yu3 s LYS 87 Cb -0.15 -3.45 0.08 0.00 -2.06 0.00 0.00 37.83 32.26 2yu3 s LYS 87 CO -0.08 0.12 0.32 -1.12 0.10 0.00 0.00 175.35 174.69 2yu3 s SER 88 N 0.69 5.81 -0.14 0.03 0.01 -1.26 -4.83 113.70 114.02 2yu3 s SER 88 Ca 0.27 -1.51 -0.10 0.00 1.31 0.00 0.00 55.95 55.93 2yu3 s SER 88 Cb -0.15 -2.06 0.04 0.00 0.21 0.00 0.00 66.02 64.06 2yu3 s SER 88 CO 0.11 -0.60 0.19 0.52 0.41 0.00 0.00 173.24 173.87 2yu3 n VAL 89 N 5.01-12.41 -2.78 3.43 0.31 -1.26 -5.03 118.33 105.60 2yu3 n VAL 89 Ca -0.11 2.70 -0.10 0.00 -0.01 0.00 0.00 64.34 66.82 2yu3 n VAL 89 Cb 0.43 -6.28 0.08 0.00 -0.91 0.00 0.00 33.84 27.15 2yu3 n VAL 89 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2yu3 n SER 90 N 1.62 -1.30 -2.75 4.52 7.64 -1.26 -5.03 113.62 117.05 2yu3 n SER 90 Ca -0.33 -3.08 -0.05 0.00 1.01 0.00 0.00 58.87 56.43 2yu3 n SER 90 Cb 0.50 0.98 0.02 0.00 -1.01 0.00 0.00 64.21 64.70 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu3 n GLY 91 N -0.02 -0.62 0.17 0.23 0.00 -1.26 -5.02 105.19 98.67 2yu3 n GLY 91 Ca 0.06 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 2yu3 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu3 h PRO 92 N 4.73 0.51 -5.55 1.61 0.13 -2.05 -3.49 132.00 127.89 2yu3 h PRO 92 Ca 0.02 -0.27 -0.08 0.00 -0.87 0.00 0.00 66.00 64.80 2yu3 h PRO 92 Cb 1.11 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2yu3 h PRO 92 CO 0.04 0.85 -0.43 0.43 -0.23 0.00 0.00 178.00 178.66 2yu3 n SER 93 N -4.42 -7.42 -1.15 1.44 7.64 -1.26 -4.76 113.62 103.68 2yu3 n SER 93 Ca -0.05 0.13 0.10 0.00 1.01 0.00 0.00 58.87 60.06 2yu3 n SER 93 Cb 0.41 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.87 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu3 n SER 94 N -1.01 -6.83 0.00 6.43 2.88 -1.26 -5.33 113.62 108.50 2yu3 n SER 94 Ca 0.02 0.80 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2yu3 n SER 94 Cb 0.52 -2.29 0.00 0.00 -0.75 0.00 0.00 64.21 61.69 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42