#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 n SER 2 N 0.00 -7.85 -4.03 1.61 7.64 -1.26 -5.06 113.62 104.66 2yu3 n SER 2 Ca 0.00 0.70 -0.08 0.00 1.01 0.00 0.00 58.87 60.49 2yu3 n SER 2 Cb 0.00 -5.17 -0.09 0.00 -1.01 0.00 0.00 64.21 57.94 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yu3 s SER 3 N -2.33 0.30 -0.72 6.43 1.04 -1.26 -4.96 113.70 112.20 2yu3 s SER 3 Ca 0.20 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 2yu3 s SER 3 Cb -0.05 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2yu3 s SER 3 CO 0.77 -0.70 0.63 0.61 0.98 0.00 0.00 173.24 175.53 2yu3 n GLY 4 N -0.02 -0.57 3.10 7.32 0.00 -1.26 -4.82 105.19 108.94 2yu3 n GLY 4 Ca -0.11 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.35 2yu3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 5 N -2.63 -6.52 0.05 1.61 7.64 -1.26 -4.90 113.62 107.61 2yu3 n SER 5 Ca -0.05 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2yu3 n SER 5 Cb 0.58 -2.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.23 2yu3 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu3 n SER 6 N -3.95 0.71 -3.75 6.43 2.88 -1.26 -5.06 113.62 109.61 2yu3 n SER 6 Ca 0.01 0.15 -0.12 0.00 -1.33 0.00 0.00 58.87 57.57 2yu3 n SER 6 Cb 0.38 -0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.55 2yu3 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu3 s GLY 7 N -4.35 -0.19 -0.08 0.46 0.00 -1.26 -5.06 107.32 96.84 2yu3 s GLY 7 Ca 0.00 0.93 -0.26 0.00 0.00 0.00 0.00 44.72 45.39 2yu3 s GLY 7 CO 0.00 0.97 0.93 -1.33 0.00 0.00 0.00 173.10 173.67 2yu3 h GLY 8 N 6.38 0.14 -2.40 0.20 0.00 -1.99 -3.46 103.07 101.94 2yu3 h GLY 8 Ca -0.32 -0.29 -0.56 0.00 0.00 0.00 0.00 47.33 46.16 2yu3 h GLY 8 CO 0.35 0.26 -0.08 -0.18 0.00 0.00 0.00 176.54 176.88 2yu3 n GLN 9 N -4.50 0.47 -3.22 4.80 -0.06 -1.26 -4.93 117.38 108.69 2yu3 n GLN 9 Ca -0.10 0.21 -0.45 0.00 -2.00 0.00 0.00 57.00 54.66 2yu3 n GLN 9 Cb 0.53 -2.06 -0.06 0.00 -4.06 0.00 0.00 30.24 24.59 2yu3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2yu3 s LEU 10 N -1.90 5.45 -0.34 1.69 1.02 -1.26 -5.02 118.68 118.33 2yu3 s LEU 10 Ca 0.71 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 53.55 2yu3 s LEU 10 Cb -0.36 -2.30 0.09 0.00 0.02 0.00 0.00 46.19 43.63 2yu3 s LEU 10 CO 0.53 -0.91 0.06 -0.62 0.02 0.00 0.00 176.35 175.43 2yu3 s ASP 11 N 3.13 4.90 0.09 2.29 2.15 -1.26 -5.08 116.67 122.88 2yu3 s ASP 11 Ca 0.09 -1.81 -0.31 0.00 0.43 0.00 0.00 52.55 50.96 2yu3 s ASP 11 Cb -0.24 -1.70 -0.09 0.00 -0.30 0.00 0.00 42.92 40.60 2yu3 s ASP 11 CO 0.07 -0.37 1.66 -0.22 -0.17 0.00 0.00 175.17 176.13 2yu3 s LEU 12 N 1.08 4.37 -0.01 -1.34 2.96 -1.26 -5.00 118.68 119.48 2yu3 s LEU 12 Ca 0.04 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.51 2yu3 s LEU 12 Cb -0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 2yu3 s LEU 12 CO -0.05 -0.89 -0.10 -0.22 -1.32 0.00 0.00 176.35 173.77 2yu3 s LEU 13 N 2.39 1.96 -0.22 -0.68 2.96 -1.26 -5.13 118.68 118.69 2yu3 s LEU 13 Ca 0.74 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.43 2yu3 s LEU 13 Cb -0.41 -0.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 2yu3 s LEU 13 CO 0.32 0.11 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.81 2yu3 s ARG 14 N -0.13 3.27 0.23 1.98 6.06 -1.26 -4.98 118.95 124.11 2yu3 s ARG 14 Ca 0.02 -0.69 0.03 0.00 -2.50 0.00 0.00 55.73 52.59 2yu3 s ARG 14 Cb -0.05 -2.98 0.22 0.00 0.06 0.00 0.00 34.95 32.21 2yu3 s ARG 14 CO -0.00 -0.23 1.55 0.66 -2.50 0.00 0.00 175.30 174.78 2yu3 h SER 15 N 8.09 0.35 -3.41 -2.12 4.64 -2.05 -3.44 113.55 115.61 2yu3 h SER 15 Ca -0.41 -0.19 -0.54 0.00 -0.47 0.00 0.00 61.79 60.17 2yu3 h SER 15 Cb 1.15 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.11 2yu3 h SER 15 CO 0.60 0.86 0.00 0.21 -0.87 0.00 0.00 176.83 177.64 2yu3 s ASN 16 N -6.90 6.97 -0.10 4.97 3.84 -1.26 -5.01 114.94 117.44 2yu3 s ASN 16 Ca -0.05 1.25 -0.12 0.00 0.21 0.00 0.00 52.86 54.15 2yu3 s ASN 16 Cb 0.12 -2.36 -0.04 0.00 -0.55 0.00 0.00 41.25 38.42 2yu3 s ASN 16 CO 0.81 0.11 -0.24 0.41 -2.79 0.00 0.00 177.10 175.39 2yu3 n THR 17 N 0.94 1.32 0.00 -5.21 -1.04 -1.26 -5.14 114.28 103.88 2yu3 n THR 17 Ca -0.05 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2yu3 n THR 17 Cb 0.51 -2.09 0.00 0.00 -1.82 0.00 0.00 70.33 66.93 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 1.98 0.32 3.70 3.41 0.00 -1.26 -4.73 105.19 108.62 2yu3 n GLY 18 Ca -0.10 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 3.42 0.10 0.99 1.43 -1.26 -4.84 118.68 118.53 2yu3 s LEU 19 Ca 0.00 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 2yu3 s LEU 19 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2yu3 s LEU 19 CO 0.00 0.07 0.12 -0.22 0.23 0.00 0.00 176.35 176.55 2yu3 s LEU 20 N -3.11 3.92 0.14 1.79 2.96 -1.06 -2.11 118.68 121.20 2yu3 s LEU 20 Ca 0.29 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2yu3 s LEU 20 Cb -0.09 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 2yu3 s LEU 20 CO 0.20 0.14 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.05 2yu3 s TYR 21 N -1.51 1.00 0.16 5.38 1.51 -0.51 -2.15 117.35 121.23 2yu3 s TYR 21 Ca 0.31 -1.04 -0.23 0.00 -1.01 0.00 0.00 57.07 55.09 2yu3 s TYR 21 Cb -0.12 -0.58 0.06 0.00 -0.11 0.00 0.00 41.96 41.22 2yu3 s TYR 21 CO 0.24 -0.27 0.67 1.03 -1.11 0.00 0.00 175.55 176.11 2yu3 s ARG 22 N -3.92 1.31 0.12 -0.62 0.52 -0.52 -1.19 118.95 114.65 2yu3 s ARG 22 Ca 0.19 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.78 2yu3 s ARG 22 Cb 0.06 0.56 -0.06 0.00 0.52 0.00 0.00 34.95 36.03 2yu3 s ARG 22 CO 0.00 -0.58 0.40 0.96 0.02 0.00 0.00 175.30 176.10 2yu3 s ILE 23 N -3.68 5.11 -0.15 1.52 -4.36 -1.26 -0.15 121.20 118.23 2yu3 s ILE 23 Ca 0.04 0.28 -0.05 0.00 -0.26 0.00 0.00 60.65 60.66 2yu3 s ILE 23 Cb -0.02 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.03 2yu3 s ILE 23 CO -0.08 0.15 -0.00 -0.75 0.24 0.00 0.00 174.94 174.50 2yu3 s LYS 24 N -2.30 3.68 -0.20 0.37 2.47 -0.85 -4.64 119.74 118.27 2yu3 s LYS 24 Ca 0.38 -0.45 -0.07 0.00 -1.56 0.00 0.00 55.97 54.26 2yu3 s LYS 24 Cb -0.13 -2.99 0.03 0.00 -1.46 0.00 0.00 37.83 33.28 2yu3 s LYS 24 CO 0.21 0.31 0.14 -0.25 0.16 0.00 0.00 175.35 175.92 2yu3 n ASP 25 N 3.36 -2.95 -4.65 1.43 8.00 -1.26 -4.73 116.55 115.75 2yu3 n ASP 25 Ca -0.17 1.20 -0.48 0.00 0.71 0.00 0.00 54.79 56.05 2yu3 n ASP 25 Cb 0.53 -4.73 -0.05 0.00 -0.02 0.00 0.00 41.12 36.85 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2yu3 n SER 26 N 1.16 2.67 -3.19 -2.24 3.41 -1.26 -2.94 113.62 111.24 2yu3 n SER 26 Ca -0.24 1.09 -0.05 0.00 -0.26 0.00 0.00 58.87 59.41 2yu3 n SER 26 Cb 0.37 -1.35 0.01 0.00 -0.26 0.00 0.00 64.21 62.97 2yu3 n SER 26 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2yu3 n GLN 27 N 3.27 -1.43 -3.48 4.33 0.00 -1.26 -5.03 117.38 113.78 2yu3 n GLN 27 Ca 0.18 1.32 -0.18 0.00 -0.00 0.00 0.00 57.00 58.31 2yu3 n GLN 27 Cb 0.26 -5.30 -0.13 0.00 0.00 0.00 0.00 30.24 25.07 2yu3 n GLN 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2yu3 s ASN 28 N -3.05 1.41 -0.21 1.69 2.47 -1.15 -5.12 114.94 110.98 2yu3 s ASN 28 Ca 0.06 -0.27 -0.06 0.00 0.42 0.00 0.00 52.86 53.02 2yu3 s ASN 28 Cb -0.01 0.39 0.10 0.00 -1.45 0.00 0.00 41.25 40.28 2yu3 s ASN 28 CO 0.77 -0.33 0.41 0.00 -3.72 0.00 0.00 177.10 174.22 2yu3 s ALA 29 N 2.33 -1.14 0.00 1.71 0.00 -1.26 -4.99 121.76 118.41 2yu3 s ALA 29 Ca 0.07 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2yu3 s ALA 29 Cb -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.54 2yu3 s ALA 29 CO -0.14 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2yu3 n GLY 30 N 5.38 0.22 0.07 0.00 0.00 -1.26 -4.87 105.19 104.73 2yu3 n GLY 30 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 1.49 -2.67 1.61 -0.00 -1.26 -5.09 118.16 112.24 2yu3 n LYS 31 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 2yu3 n LYS 31 Cb 0.00 -1.34 -0.03 0.00 -0.00 0.00 0.00 35.03 33.66 2yu3 n LYS 31 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2yu3 n MET 32 N -2.62 -4.11 -2.55 -1.58 1.56 -1.26 -5.02 117.12 101.54 2yu3 n MET 32 Ca -0.24 3.16 -0.23 0.00 -0.27 0.00 0.00 57.70 60.12 2yu3 n MET 32 Cb 0.90 -4.99 0.04 0.00 2.15 0.00 0.00 33.22 31.32 2yu3 n MET 32 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2yu3 s LYS 33 N -0.96 2.59 1.08 2.12 2.20 -1.26 -4.83 119.74 120.68 2yu3 s LYS 33 Ca -0.19 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2yu3 s LYS 33 Cb 0.01 -2.39 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 2yu3 s LYS 33 CO 0.76 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2yu3 n GLY 34 N -2.48 -1.99 3.56 5.54 0.00 -1.26 -4.64 105.19 103.92 2yu3 n GLY 34 Ca 0.06 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 2yu3 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu3 s SER 35 N -4.00 4.59 0.46 1.61 0.15 -1.26 -4.76 113.70 110.48 2yu3 s SER 35 Ca 0.00 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 56.81 2yu3 s SER 35 Cb 0.00 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.87 2yu3 s SER 35 CO 0.00 -3.15 1.95 0.44 1.20 0.00 0.00 173.24 173.68 2yu3 h ASP 36 N 13.34 0.00 0.13 5.45 3.32 -1.88 -0.27 116.42 136.51 2yu3 h ASP 36 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2yu3 h ASP 36 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2yu3 h ASP 36 CO 1.13 0.22 -0.06 0.78 -1.72 0.00 0.00 179.24 179.58 2yu3 h ASN 37 N 0.00 -0.15 0.95 6.45 2.35 -1.99 0.19 115.58 123.37 2yu3 h ASN 37 Ca -0.00 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.41 2yu3 h ASN 37 Cb 0.50 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2yu3 h ASN 37 CO 0.03 0.13 -0.61 1.56 -1.65 0.00 0.00 177.43 176.88 2yu3 h GLN 38 N -0.44 0.00 -0.03 0.81 7.50 -1.94 -2.95 115.11 118.07 2yu3 h GLN 38 Ca -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 2yu3 h GLN 38 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 2yu3 h GLN 38 CO 0.03 0.61 -0.10 0.93 -1.50 0.00 0.00 178.83 178.80 2yu3 h GLU 39 N 0.00 0.12 -0.85 1.46 5.08 -0.98 -3.07 114.58 116.35 2yu3 h GLU 39 Ca -0.01 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2yu3 h GLU 39 Cb 1.25 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2yu3 h GLU 39 CO 0.08 0.71 0.56 0.87 -1.00 0.00 0.00 179.01 180.23 2yu3 h LYS 40 N -0.44 1.09 -0.64 2.33 1.57 -0.69 0.17 116.57 119.96 2yu3 h LYS 40 Ca -0.00 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2yu3 h LYS 40 Cb 0.72 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2yu3 h LYS 40 CO 0.02 0.72 0.42 1.25 -0.57 0.00 0.00 179.45 181.30 2yu3 h LEU 41 N 1.13 0.74 0.00 2.94 5.85 -1.54 -0.61 115.31 123.80 2yu3 h LEU 41 Ca 0.32 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2yu3 h LEU 41 Cb -0.10 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 2yu3 h LEU 41 CO -0.07 0.53 -0.20 0.58 -0.34 0.00 0.00 178.44 178.94 2yu3 h VAL 42 N 0.87 1.16 -0.76 1.05 2.07 -1.23 -3.28 116.25 116.13 2yu3 h VAL 42 Ca 0.23 -1.94 0.22 0.00 0.82 0.00 0.00 66.70 66.04 2yu3 h VAL 42 Cb -0.10 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2yu3 h VAL 42 CO -0.05 0.39 0.55 0.22 0.02 0.00 0.00 177.57 178.70 2yu3 h TYR 43 N -1.00 0.02 -0.36 1.57 5.03 -0.65 0.55 116.97 122.14 2yu3 h TYR 43 Ca -0.05 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.20 2yu3 h TYR 43 Cb 0.78 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 2yu3 h TYR 43 CO 0.16 0.01 -0.04 1.96 -1.32 0.00 0.00 178.16 178.92 2yu3 h GLN 44 N 0.01 0.66 -0.08 1.82 1.08 -1.21 -1.20 115.11 116.20 2yu3 h GLN 44 Ca 0.36 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2yu3 h GLN 44 Cb 1.44 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2yu3 h GLN 44 CO -0.01 0.80 -0.01 0.82 -0.95 0.00 0.00 178.83 179.48 2yu3 h ILE 45 N 0.46 1.27 -0.70 2.54 2.04 -0.98 -2.36 117.51 119.78 2yu3 h ILE 45 Ca 0.10 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2yu3 h ILE 45 Cb 0.53 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 2yu3 h ILE 45 CO 0.03 0.23 0.47 0.40 0.00 0.00 0.00 178.15 179.28 2yu3 h ILE 46 N -0.16 1.17 -0.42 -0.67 2.04 -1.35 -1.93 117.51 116.18 2yu3 h ILE 46 Ca 0.02 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2yu3 h ILE 46 Cb 0.37 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2yu3 h ILE 46 CO 0.01 0.17 -0.08 -0.08 0.00 0.00 0.00 178.15 178.16 2yu3 h GLU 47 N 0.94 0.74 -0.81 2.37 4.22 -1.11 -2.76 114.58 118.17 2yu3 h GLU 47 Ca 0.26 -0.23 0.05 0.00 0.08 0.00 0.00 59.36 59.52 2yu3 h GLU 47 Cb -0.08 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2yu3 h GLU 47 CO -0.06 0.81 0.53 0.22 -2.18 0.00 0.00 179.01 178.33 2yu3 h ASP 48 N 0.68 0.82 -0.13 1.04 3.58 -0.80 -1.08 116.42 120.54 2yu3 h ASP 48 Ca 0.12 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2yu3 h ASP 48 Cb 0.54 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2yu3 h ASP 48 CO 0.03 0.55 0.00 0.00 -2.88 0.00 0.00 179.24 176.94 2yu3 h ALA 49 N 1.54 1.59 -0.91 -0.78 0.00 -1.38 -3.46 119.26 115.87 2yu3 h ALA 49 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2yu3 h ALA 49 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2yu3 h ALA 49 CO -0.11 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2yu3 n GLY 50 N -1.10 1.00 0.09 0.00 0.00 -0.41 -1.22 105.19 103.55 2yu3 n GLY 50 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 2yu3 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yu3 n ASN 51 N 10.30 0.69 0.22 1.61 3.02 -1.26 -4.03 115.26 125.80 2yu3 n ASN 51 Ca 0.00 0.31 0.06 0.00 -0.03 0.00 0.00 54.58 54.92 2yu3 n ASN 51 Cb 0.00 0.34 0.50 0.00 -0.61 0.00 0.00 39.78 40.02 2yu3 n ASN 51 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2yu3 h LYS 52 N 0.00 0.00 -2.25 3.52 1.57 -1.54 -3.49 116.57 114.37 2yu3 h LYS 52 Ca -0.24 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.72 2yu3 h LYS 52 Cb 1.75 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.96 2yu3 h LYS 52 CO 0.05 0.24 -0.78 0.41 -0.57 0.00 0.00 179.45 178.79 2yu3 n GLY 53 N -0.71 -3.21 3.18 3.86 0.00 -1.21 -4.97 105.19 102.13 2yu3 n GLY 53 Ca -0.02 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.02 1.62 0.49 -0.61 2.07 -0.33 -4.86 121.20 115.55 2yu3 s ILE 54 Ca 0.00 -0.83 -0.21 0.00 -1.41 0.00 0.00 60.65 58.20 2yu3 s ILE 54 Cb 0.00 -1.38 -0.08 0.00 0.13 0.00 0.00 42.46 41.13 2yu3 s ILE 54 CO 0.00 0.46 1.07 0.26 -1.91 0.00 0.00 174.94 174.82 2yu3 s TRP 55 N -0.09 2.95 0.55 3.50 0.52 -1.26 -1.43 118.94 123.68 2yu3 s TRP 55 Ca -0.02 1.57 0.28 0.00 0.02 0.00 0.00 56.10 57.96 2yu3 s TRP 55 Cb -0.12 -3.14 1.45 0.00 -1.15 0.00 0.00 33.47 30.52 2yu3 s TRP 55 CO 0.02 -1.00 1.94 1.03 0.02 0.00 0.00 176.95 178.96 2yu3 h SER 56 N 1.61 0.00 -0.00 2.95 0.87 -1.78 -0.40 113.55 116.80 2yu3 h SER 56 Ca -0.49 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 59.97 2yu3 h SER 56 Cb 1.23 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2yu3 h SER 56 CO 0.59 0.00 -0.39 -0.09 -0.53 0.00 0.00 176.83 176.41 2yu3 h ARG 57 N 0.00 0.27 0.64 2.24 2.43 -1.85 -2.87 114.38 115.24 2yu3 h ARG 57 Ca 0.31 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2yu3 h ARG 57 Cb 1.29 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.93 2yu3 h ARG 57 CO -0.00 0.99 -0.31 -0.44 -1.51 0.00 0.00 179.97 178.70 2yu3 h ASP 58 N -0.34 -0.73 -0.21 -3.80 3.32 -1.50 -1.58 116.42 111.57 2yu3 h ASP 58 Ca -0.05 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.08 2yu3 h ASP 58 Cb 1.12 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 2yu3 h ASP 58 CO 0.08 -0.50 0.25 1.62 -1.72 0.00 0.00 179.24 178.96 2yu3 h VAL 59 N -0.90 0.42 -0.04 -1.35 3.04 -1.32 -0.61 116.25 115.49 2yu3 h VAL 59 Ca -0.09 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.39 2yu3 h VAL 59 Cb 0.67 0.80 0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2yu3 h VAL 59 CO 0.15 0.00 -0.80 -0.09 -1.01 0.00 0.00 177.57 175.81 2yu3 h ARG 60 N 0.00 0.61 0.01 4.17 2.43 -1.18 -1.95 114.38 118.46 2yu3 h ARG 60 Ca 0.10 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2yu3 h ARG 60 Cb 0.60 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2yu3 h ARG 60 CO -0.00 1.22 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.75 2yu3 h TYR 61 N 0.23 -0.01 -0.06 2.20 3.20 -0.16 0.24 116.97 122.61 2yu3 h TYR 61 Ca -0.09 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.72 2yu3 h TYR 61 Cb 1.47 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 2yu3 h TYR 61 CO 0.12 0.19 -0.25 0.87 -1.64 0.00 0.00 178.16 177.45 2yu3 h LYS 62 N -0.20 0.10 0.00 1.82 1.57 -1.51 -2.38 116.57 115.97 2yu3 h LYS 62 Ca -0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2yu3 h LYS 62 CO 0.00 0.35 -0.53 0.77 -0.57 0.00 0.00 179.45 179.47 2yu3 h SER 63 N 0.09 0.00 -3.21 0.86 0.02 -1.11 -3.47 113.55 106.73 2yu3 h SER 63 Ca 0.02 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.62 2yu3 h SER 63 Cb 0.50 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.06 2yu3 h SER 63 CO 0.04 0.53 -0.48 -3.20 -1.14 0.00 0.00 176.83 172.57 2yu3 n ASN 64 N -3.25 -5.29 -4.43 3.07 2.85 0.83 -5.00 115.26 104.04 2yu3 n ASN 64 Ca 0.02 -0.14 -0.31 0.00 -0.11 0.00 0.00 54.58 54.04 2yu3 n ASN 64 Cb 0.74 -4.24 -0.13 0.00 1.24 0.00 0.00 39.78 37.38 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu3 s LEU 65 N -5.39 2.50 0.75 1.20 1.43 -1.15 -5.07 118.68 112.95 2yu3 s LEU 65 Ca 0.14 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2yu3 s LEU 65 Cb -0.06 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.74 2yu3 s LEU 65 CO 0.17 0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.96 2yu3 s PRO 66 N -1.21 2.37 0.31 1.29 0.04 -1.26 -4.69 135.00 131.85 2yu3 s PRO 66 Ca 0.13 1.22 0.06 0.00 0.04 0.00 0.00 61.00 62.45 2yu3 s PRO 66 Cb -0.10 -1.91 0.74 0.00 0.04 0.00 0.00 34.50 33.27 2yu3 s PRO 66 CO 0.03 -1.56 1.80 1.37 0.04 0.00 0.00 177.00 178.68 2yu3 h LEU 67 N -0.88 0.77 -2.00 -3.56 -0.00 -1.98 0.27 115.31 107.93 2yu3 h LEU 67 Ca -0.44 0.08 0.11 0.00 -0.00 0.00 0.00 57.88 57.63 2yu3 h LEU 67 Cb 1.23 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2yu3 h LEU 67 CO 0.52 0.30 0.28 0.00 -0.00 0.00 0.00 178.44 179.54 2yu3 h THR 68 N 0.77 0.80 0.00 0.15 1.03 -1.99 0.24 112.91 113.90 2yu3 h THR 68 Ca 0.55 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.94 2yu3 h THR 68 Cb 0.86 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 68.74 2yu3 h THR 68 CO -0.34 0.00 -0.45 -0.33 -0.01 0.00 0.00 175.52 174.39 2yu3 h GLU 69 N 0.00 0.00 -0.89 0.00 4.39 -0.87 -3.35 114.58 113.86 2yu3 h GLU 69 Ca 0.18 0.00 0.21 0.00 0.34 0.00 0.00 59.36 60.09 2yu3 h GLU 69 Cb 0.73 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 2yu3 h GLU 69 CO -0.00 0.10 0.60 0.82 -1.16 0.00 0.00 179.01 179.37 2yu3 h ILE 70 N -1.00 0.66 -0.51 3.13 1.08 -1.11 0.25 117.51 120.01 2yu3 h ILE 70 Ca -0.03 -0.11 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 2yu3 h ILE 70 Cb 0.47 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 2yu3 h ILE 70 CO -0.02 0.06 0.34 0.78 -0.69 0.00 0.00 178.15 178.62 2yu3 h ASN 71 N 0.33 0.54 0.32 1.72 2.35 -0.69 0.17 115.58 120.32 2yu3 h ASN 71 Ca 0.46 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.87 2yu3 h ASN 71 Cb 1.25 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 2yu3 h ASN 71 CO -0.15 0.38 -1.66 0.50 -1.65 0.00 0.00 177.43 174.86 2yu3 h LYS 72 N 0.64 0.31 0.63 0.81 3.64 -0.71 -3.24 116.57 118.64 2yu3 h LYS 72 Ca 0.20 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 59.02 2yu3 h LYS 72 Cb 0.01 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2yu3 h LYS 72 CO -0.05 1.19 -0.30 0.82 -2.27 0.00 0.00 179.45 178.84 2yu3 h ILE 73 N 0.08 0.18 -0.85 2.00 2.04 -0.76 0.23 117.51 120.44 2yu3 h ILE 73 Ca -0.30 -0.33 0.22 0.00 1.00 0.00 0.00 64.86 65.45 2yu3 h ILE 73 Cb 2.06 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2yu3 h ILE 73 CO 0.16 0.03 0.58 -0.07 0.00 0.00 0.00 178.15 178.85 2yu3 h LEU 74 N -1.12 0.19 0.09 1.44 3.38 -0.87 0.18 115.31 118.60 2yu3 h LEU 74 Ca -0.09 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 2yu3 h LEU 74 Cb 0.69 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2yu3 h LEU 74 CO 0.14 0.08 -1.22 0.11 0.09 0.00 0.00 178.44 177.63 2yu3 h LYS 75 N 0.19 0.18 0.77 1.13 6.56 -1.55 -3.20 116.57 120.65 2yu3 h LYS 75 Ca 0.42 -0.31 -0.04 0.00 -1.06 0.00 0.00 60.65 59.67 2yu3 h LYS 75 Cb 1.36 0.11 0.01 0.00 -0.57 0.00 0.00 32.23 33.14 2yu3 h LYS 75 CO -0.09 1.12 -0.37 -0.97 -2.06 0.00 0.00 179.45 177.08 2yu3 h ASN 76 N 0.05 -0.88 -0.90 0.86 -0.73 0.25 -2.20 115.58 112.03 2yu3 h ASN 76 Ca -0.12 0.03 0.20 0.00 1.87 0.00 0.00 56.30 58.29 2yu3 h ASN 76 Cb 1.92 0.23 -0.06 0.00 0.27 0.00 0.00 38.32 40.67 2yu3 h ASN 76 CO 0.17 -0.62 0.60 -0.07 -0.37 0.00 0.00 177.43 177.14 2yu3 h LEU 77 N -1.07 0.39 0.68 0.34 3.38 -1.54 -1.68 115.31 115.81 2yu3 h LEU 77 Ca -0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2yu3 h LEU 77 Cb 0.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2yu3 h LEU 77 CO 0.17 0.15 -0.34 -0.08 0.09 0.00 0.00 178.44 178.43 2yu3 h GLU 78 N 0.39 -0.90 -0.72 1.13 4.81 -1.49 -2.38 114.58 115.41 2yu3 h GLU 78 Ca 0.47 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.84 2yu3 h GLU 78 Cb 1.19 0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.73 2yu3 h GLU 78 CO -0.17 -0.60 0.48 0.77 -0.73 0.00 0.00 179.01 178.75 2yu3 h SER 79 N -0.94 0.60 0.52 1.04 0.02 -0.70 0.24 113.55 114.33 2yu3 h SER 79 Ca -0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2yu3 h SER 79 Cb 0.73 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2yu3 h SER 79 CO 0.14 0.37 0.00 0.29 -1.14 0.00 0.00 176.83 176.49 2yu3 n LYS 80 N -4.49 0.11 -2.77 3.45 5.02 -0.76 -4.86 118.16 113.86 2yu3 n LYS 80 Ca 0.11 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 -3.51 -0.06 1.97 4.81 0.84 -4.90 118.16 115.38 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 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 0.09 -4.59 3.14 4.77 -1.03 -4.98 117.00 111.20 2yu3 n LEU 82 Ca -0.12 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.63 2yu3 n LEU 82 Cb 0.61 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.88 2yu3 n LEU 82 CO 0.36 0.29 -0.29 0.27 -1.33 0.00 0.00 177.39 176.69 2yu3 s ILE 83 N -2.89 1.85 -0.05 -0.08 -4.36 -1.25 -2.01 121.20 112.41 2yu3 s ILE 83 Ca -0.09 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.34 2yu3 s ILE 83 Cb 0.09 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2yu3 s ILE 83 CO 0.86 0.00 -0.14 -1.59 0.24 0.00 0.00 174.94 174.31 2yu3 s LYS 84 N -3.74 1.58 0.01 0.37 -2.85 0.79 -4.67 119.74 111.23 2yu3 s LYS 84 Ca 0.35 -0.48 -0.16 0.00 -1.00 0.00 0.00 55.97 54.68 2yu3 s LYS 84 Cb 0.10 -1.36 -0.06 0.00 -2.06 0.00 0.00 37.83 34.44 2yu3 s LYS 84 CO 0.17 0.14 0.45 0.00 0.10 0.00 0.00 175.35 176.21 2yu3 s ALA 85 N 0.29 3.66 -0.15 0.59 0.00 -1.26 -1.44 121.76 123.45 2yu3 s ALA 85 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2yu3 s ALA 85 Cb -0.12 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.58 2yu3 s ALA 85 CO 0.02 0.45 -0.04 0.14 0.00 0.00 0.00 175.76 176.33 2yu3 s VAL 86 N -1.03 0.95 -0.04 0.00 -7.23 -0.91 -4.97 120.40 107.16 2yu3 s VAL 86 Ca 0.25 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 59.82 2yu3 s VAL 86 Cb -0.17 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.59 2yu3 s VAL 86 CO 0.15 0.16 0.37 -0.54 -0.31 0.00 0.00 175.10 174.92 2yu3 s LYS 87 N 1.71 3.94 -0.21 4.82 3.01 -1.26 -2.56 119.74 129.19 2yu3 s LYS 87 Ca 0.02 0.31 -0.20 0.00 -1.01 0.00 0.00 55.97 55.09 2yu3 s LYS 87 Cb -0.15 -3.26 -0.03 0.00 -1.01 0.00 0.00 37.83 33.39 2yu3 s LYS 87 CO -0.08 0.60 0.59 -1.12 0.51 0.00 0.00 175.35 175.86 2yu3 s SER 88 N -0.74 6.63 -0.28 2.83 0.01 -1.26 -4.61 113.70 116.28 2yu3 s SER 88 Ca 0.22 0.76 -0.03 0.00 1.31 0.00 0.00 55.95 58.21 2yu3 s SER 88 Cb -0.16 -2.33 0.01 0.00 0.21 0.00 0.00 66.02 63.76 2yu3 s SER 88 CO 0.11 -0.26 0.06 0.52 0.41 0.00 0.00 173.24 174.08 2yu3 n VAL 89 N 4.74-12.16 -3.98 3.43 0.31 -1.26 -5.08 118.33 104.34 2yu3 n VAL 89 Ca -0.02 2.06 -0.09 0.00 -0.01 0.00 0.00 64.34 66.27 2yu3 n VAL 89 Cb 0.50 -6.82 -0.05 0.00 -0.91 0.00 0.00 33.84 26.56 2yu3 n VAL 89 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2yu3 s SER 90 N -1.39 -0.09 0.00 4.52 0.01 -1.26 -5.10 113.70 110.39 2yu3 s SER 90 Ca -0.07 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2yu3 s SER 90 Cb 0.00 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2yu3 s SER 90 CO 0.78 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2yu3 n GLY 91 N -0.37 -2.01 3.59 3.44 0.00 -1.26 -5.10 105.19 103.49 2yu3 n GLY 91 Ca -0.03 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 2yu3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu3 s PRO 92 N -0.80 3.21 0.00 1.61 0.04 -1.26 -4.66 135.00 133.15 2yu3 s PRO 92 Ca 0.00 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2yu3 s PRO 92 Cb 0.00 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2yu3 s PRO 92 CO 0.00 -2.01 0.00 0.43 0.04 0.00 0.00 177.00 175.46 2yu3 n SER 93 N 10.60 0.27 -1.35 6.66 7.64 -1.26 -5.16 113.62 131.03 2yu3 n SER 93 Ca 0.21 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.27 2yu3 n SER 93 Cb 0.48 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.99 -7.98 0.00 6.43 2.88 -1.26 -5.35 113.62 106.36 2yu3 n SER 94 Ca 0.00 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2yu3 n SER 94 Cb 0.06 -4.15 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42