#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 0.67 -3.60 1.61 2.88 -1.26 -5.10 113.62 108.83 2yu3 n SER 2 Ca 0.00 -1.66 -0.29 0.00 -1.33 0.00 0.00 58.87 55.59 2yu3 n SER 2 Cb 0.00 -0.56 -0.15 0.00 -0.75 0.00 0.00 64.21 62.75 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu3 s SER 3 N -4.15 3.59 0.49 -3.46 0.15 -1.26 -4.86 113.70 104.20 2yu3 s SER 3 Ca 0.50 -1.33 0.08 0.00 0.70 0.00 0.00 55.95 55.90 2yu3 s SER 3 Cb -0.02 -0.48 0.03 0.00 -1.71 0.00 0.00 66.02 63.84 2yu3 s SER 3 CO 0.34 -0.43 0.54 -0.83 1.20 0.00 0.00 173.24 174.07 2yu3 s GLY 4 N 1.98 2.04 -0.30 9.45 0.00 -1.26 -5.13 107.32 114.09 2yu3 s GLY 4 Ca 0.09 -1.78 -0.08 0.00 0.00 0.00 0.00 44.72 42.95 2yu3 s GLY 4 CO -0.32 -1.71 0.72 -0.45 0.00 0.00 0.00 173.10 171.34 2yu3 s SER 5 N -4.36 -1.09 0.08 1.64 0.15 -1.26 -5.17 113.70 103.69 2yu3 s SER 5 Ca 0.50 1.08 -0.27 0.00 0.70 0.00 0.00 55.95 57.96 2yu3 s SER 5 Cb -0.05 2.07 0.08 0.00 -1.71 0.00 0.00 66.02 66.41 2yu3 s SER 5 CO 0.31 -0.21 0.90 -0.94 1.20 0.00 0.00 173.24 174.50 2yu3 s SER 6 N 2.82 -0.30 0.27 5.45 1.04 -1.26 -5.19 113.70 116.53 2yu3 s SER 6 Ca 0.05 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2yu3 s SER 6 Cb -0.12 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2yu3 s SER 6 CO -0.19 -0.77 0.09 0.61 0.98 0.00 0.00 173.24 173.96 2yu3 n GLY 7 N -0.35 3.56 3.75 7.32 0.00 -1.26 -4.96 105.19 113.24 2yu3 n GLY 7 Ca -0.08 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 0.36 1.86 3.56 -0.02 0.00 -1.26 -4.95 105.19 104.73 2yu3 n GLY 8 Ca -0.04 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2yu3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLN 9 N 0.00 0.09 -3.90 1.61 10.64 -1.26 -5.01 117.38 119.56 2yu3 n GLN 9 Ca 0.00 0.09 -0.29 0.00 -1.83 0.00 0.00 57.00 54.97 2yu3 n GLN 9 Cb 0.00 -2.11 -0.16 0.00 -0.86 0.00 0.00 30.24 27.11 2yu3 n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2yu3 s LEU 10 N -2.92 1.90 -0.29 2.61 1.43 -1.26 -5.10 118.68 115.05 2yu3 s LEU 10 Ca 0.67 -0.85 -0.20 0.00 -1.03 0.00 0.00 54.13 52.72 2yu3 s LEU 10 Cb -0.29 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.08 2yu3 s LEU 10 CO 0.57 -0.21 1.01 -0.62 0.23 0.00 0.00 176.35 177.33 2yu3 s ASP 11 N 1.57 -0.48 -0.27 2.29 -1.08 -1.26 -5.14 116.67 112.30 2yu3 s ASP 11 Ca -0.01 0.82 -0.14 0.00 -0.52 0.00 0.00 52.55 52.70 2yu3 s ASP 11 Cb -0.17 1.04 -0.04 0.00 -1.46 0.00 0.00 42.92 42.30 2yu3 s ASP 11 CO -0.07 -0.13 0.32 -0.22 0.52 0.00 0.00 175.17 175.58 2yu3 s LEU 12 N 0.87 4.05 -0.50 -1.34 0.20 -1.26 -4.98 118.68 115.72 2yu3 s LEU 12 Ca -0.04 0.22 0.06 0.00 0.69 0.00 0.00 54.13 55.07 2yu3 s LEU 12 Cb -0.04 -2.34 0.38 0.00 -0.43 0.00 0.00 46.19 43.76 2yu3 s LEU 12 CO -0.12 -0.13 1.00 -0.11 -0.29 0.00 0.00 176.35 176.70 2yu3 n LEU 13 N 5.14 4.14 -3.06 -0.68 7.94 -1.26 -4.96 117.00 124.27 2yu3 n LEU 13 Ca -0.10 -5.34 -0.10 0.00 -1.11 0.00 0.00 56.01 49.36 2yu3 n LEU 13 Cb 0.51 -0.37 0.01 0.00 0.53 0.00 0.00 43.42 44.10 2yu3 n LEU 13 CO 0.36 2.26 0.10 0.54 -1.11 0.00 0.00 177.39 179.54 2yu3 n ARG 14 N -0.29 -1.92 -3.02 1.96 1.74 -1.26 -4.96 116.66 108.92 2yu3 n ARG 14 Ca 0.32 1.74 -0.39 0.00 -0.77 0.00 0.00 57.85 58.75 2yu3 n ARG 14 Cb 0.54 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.82 2yu3 n ARG 14 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2yu3 s SER 15 N -2.66 7.28 -0.26 0.55 0.01 -1.26 -5.00 113.70 112.36 2yu3 s SER 15 Ca 0.16 1.52 -0.15 0.00 1.31 0.00 0.00 55.95 58.80 2yu3 s SER 15 Cb -0.04 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.68 2yu3 s SER 15 CO 0.78 0.14 0.36 0.20 0.41 0.00 0.00 173.24 175.13 2yu3 s ASN 16 N -0.71 6.26 0.55 2.44 -0.87 -1.26 -5.08 114.94 116.26 2yu3 s ASN 16 Ca 0.36 0.29 0.02 0.00 -1.57 0.00 0.00 52.86 51.96 2yu3 s ASN 16 Cb -0.22 -2.20 0.04 0.00 -0.02 0.00 0.00 41.25 38.85 2yu3 s ASN 16 CO 0.24 -0.15 0.77 0.42 -2.57 0.00 0.00 177.10 175.81 2yu3 s THR 17 N 1.92 2.66 0.00 1.60 -4.23 -1.26 -5.11 115.64 111.21 2yu3 s THR 17 Ca 0.15 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 2yu3 s THR 17 Cb -0.16 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2yu3 s THR 17 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2yu3 n GLY 18 N -2.33 1.17 3.65 3.99 0.00 -1.26 -5.12 105.19 105.28 2yu3 n GLY 18 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 3.26 0.10 0.99 1.43 -1.26 -4.91 118.68 118.29 2yu3 s LEU 19 Ca 0.00 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2yu3 s LEU 19 Cb 0.00 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2yu3 s LEU 19 CO 0.00 0.07 0.26 -0.22 0.23 0.00 0.00 176.35 176.69 2yu3 s LEU 20 N -3.07 4.33 0.04 1.79 2.96 -1.06 -1.22 118.68 122.45 2yu3 s LEU 20 Ca 0.28 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2yu3 s LEU 20 Cb -0.09 -3.01 -0.02 0.00 0.50 0.00 0.00 46.19 43.57 2yu3 s LEU 20 CO 0.18 0.11 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.95 2yu3 s TYR 21 N -1.60 0.61 0.06 5.38 1.51 -0.28 -2.16 117.35 120.86 2yu3 s TYR 21 Ca 0.36 -0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 55.83 2yu3 s TYR 21 Cb -0.12 -0.37 0.01 0.00 -0.11 0.00 0.00 41.96 41.37 2yu3 s TYR 21 CO 0.28 -0.09 0.24 1.03 -1.11 0.00 0.00 175.55 175.89 2yu3 s ARG 22 N -1.50 0.78 0.36 -0.62 0.52 -0.97 -0.36 118.95 117.17 2yu3 s ARG 22 Ca -0.10 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.35 2yu3 s ARG 22 Cb -0.10 0.33 -0.06 0.00 0.52 0.00 0.00 34.95 35.65 2yu3 s ARG 22 CO 0.00 -0.25 0.68 0.96 0.02 0.00 0.00 175.30 176.71 2yu3 s ILE 23 N -2.95 4.90 -0.20 1.52 -4.36 -1.26 -0.28 121.20 118.57 2yu3 s ILE 23 Ca -0.02 0.33 -0.06 0.00 -0.26 0.00 0.00 60.65 60.63 2yu3 s ILE 23 Cb 0.01 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 39.94 2yu3 s ILE 23 CO -0.06 -0.46 0.04 -0.75 0.24 0.00 0.00 174.94 173.95 2yu3 s LYS 24 N -3.80 3.80 0.51 0.37 2.20 0.11 -4.57 119.74 118.36 2yu3 s LYS 24 Ca 0.48 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 2yu3 s LYS 24 Cb -0.10 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2yu3 s LYS 24 CO 0.32 0.13 0.00 -3.47 -0.36 0.00 0.00 175.35 171.97 2yu3 n ASP 25 N 3.95 -6.98 0.00 1.43 2.03 -1.26 -4.73 116.55 110.98 2yu3 n ASP 25 Ca -0.17 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.26 2yu3 n ASP 25 Cb 0.52 -3.21 0.00 0.00 -0.72 0.00 0.00 41.12 37.71 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2yu3 n SER 26 N -4.14 1.14 0.28 1.67 3.41 -1.26 -4.89 113.62 109.83 2yu3 n SER 26 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.47 2yu3 n SER 26 Cb 0.47 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2yu3 n SER 26 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2yu3 h GLN 27 N 0.00 -0.70 -6.15 4.33 4.15 -2.04 -3.38 115.11 111.33 2yu3 h GLN 27 Ca 0.00 0.05 -0.52 0.00 0.77 0.00 0.00 58.65 58.95 2yu3 h GLN 27 Cb 0.35 0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 2yu3 h GLN 27 CO 0.00 -0.39 1.20 -0.80 -1.93 0.00 0.00 178.83 176.91 2yu3 s ASN 28 N -4.69 5.99 -0.18 -0.69 0.01 -1.26 -4.60 114.94 109.52 2yu3 s ASN 28 Ca -0.15 -0.63 0.08 0.00 -0.71 0.00 0.00 52.86 51.44 2yu3 s ASN 28 Cb 0.02 -2.56 0.24 0.00 0.41 0.00 0.00 41.25 39.36 2yu3 s ASN 28 CO 0.52 -1.94 1.29 0.00 -1.51 0.00 0.00 177.10 175.46 2yu3 n ALA 29 N 10.34 3.26 -1.82 0.60 0.00 -1.26 -4.88 120.51 126.75 2yu3 n ALA 29 Ca 0.19 -0.95 0.05 0.00 0.00 0.00 0.00 53.44 52.73 2yu3 n ALA 29 Cb 0.50 -0.61 0.09 0.00 0.00 0.00 0.00 19.45 19.44 2yu3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu3 n GLY 30 N -0.80 2.89 1.75 0.00 0.00 -1.26 -4.76 105.19 103.00 2yu3 n GLY 30 Ca -0.21 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yu3 n LYS 31 N -0.49 2.87 -1.49 1.61 5.02 -1.26 -5.00 118.16 119.41 2yu3 n LYS 31 Ca 0.10 -3.07 -0.29 0.00 -2.02 0.00 0.00 58.31 53.04 2yu3 n LYS 31 Cb 0.81 -2.08 0.14 0.00 -0.02 0.00 0.00 35.03 33.88 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2yu3 s MET 32 N -3.11 0.97 0.12 1.97 -1.94 -1.26 -4.95 119.30 111.10 2yu3 s MET 32 Ca 0.52 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.78 2yu3 s MET 32 Cb 0.43 -1.82 0.00 0.00 2.01 0.00 0.00 34.83 35.45 2yu3 s MET 32 CO 0.09 -2.31 0.00 1.17 -0.01 0.00 0.00 175.02 173.96 2yu3 n LYS 33 N -3.84 0.00 -1.98 2.03 4.81 -1.26 -4.99 118.16 112.92 2yu3 n LYS 33 Ca 0.07 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.09 2yu3 n LYS 33 Cb 0.59 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.61 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2yu3 s GLY 34 N -1.78 0.61 -1.45 3.14 0.00 -1.26 -3.05 107.32 103.53 2yu3 s GLY 34 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 44.72 44.70 2yu3 s GLY 34 CO 0.00 3.35 0.89 -1.26 0.00 0.00 0.00 173.10 176.08 2yu3 n SER 35 N 11.08 -3.60 -0.16 1.64 2.88 -1.26 -4.83 113.62 119.37 2yu3 n SER 35 Ca 0.23 -0.78 0.23 0.00 -1.33 0.00 0.00 58.87 57.21 2yu3 n SER 35 Cb 0.48 -4.00 0.63 0.00 -0.75 0.00 0.00 64.21 60.57 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2yu3 h ASP 36 N -2.05 0.17 0.00 -3.46 2.03 -1.92 0.06 116.42 111.25 2yu3 h ASP 36 Ca -0.59 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.73 2yu3 h ASP 36 Cb 1.37 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 2yu3 h ASP 36 CO 0.63 0.07 0.00 0.59 -1.03 0.00 0.00 179.24 179.50 2yu3 n ASN 37 N -4.39 0.00 0.15 4.15 4.13 -1.26 -0.17 115.26 117.88 2yu3 n ASN 37 Ca 0.17 0.90 0.17 0.00 1.68 0.00 0.00 54.58 57.50 2yu3 n ASN 37 Cb 0.77 -0.40 0.76 0.00 -1.54 0.00 0.00 39.78 39.37 2yu3 n ASN 37 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2yu3 h GLN 38 N 0.00 0.00 -0.26 3.52 5.75 -1.89 -1.00 115.11 121.23 2yu3 h GLN 38 Ca 0.00 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 2yu3 h GLN 38 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 2yu3 h GLN 38 CO 0.00 0.00 -0.31 0.93 -2.65 0.00 0.00 178.83 176.80 2yu3 h GLU 39 N 0.00 0.67 -0.44 1.69 5.08 -0.84 -3.19 114.58 117.55 2yu3 h GLU 39 Ca 0.12 -0.37 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2yu3 h GLU 39 Cb 0.60 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2yu3 h GLU 39 CO -0.00 0.99 0.28 0.87 -1.00 0.00 0.00 179.01 180.14 2yu3 h LYS 40 N 0.39 0.54 -0.87 2.33 1.57 0.83 0.14 116.57 121.50 2yu3 h LYS 40 Ca 0.03 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2yu3 h LYS 40 Cb 0.89 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.02 2yu3 h LYS 40 CO 0.08 0.36 0.58 1.25 -0.57 0.00 0.00 179.45 181.14 2yu3 h LEU 41 N 0.56 0.42 0.00 2.94 5.85 -1.51 0.22 115.31 123.79 2yu3 h LEU 41 Ca 0.17 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2yu3 h LEU 41 Cb -0.02 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2yu3 h LEU 41 CO -0.06 0.18 -0.35 0.58 -0.34 0.00 0.00 178.44 178.44 2yu3 h VAL 42 N 0.42 1.52 -0.24 1.05 2.07 -1.34 -3.26 116.25 116.47 2yu3 h VAL 42 Ca 0.45 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.77 2yu3 h VAL 42 Cb 1.09 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 2yu3 h VAL 42 CO -0.17 0.51 0.23 0.22 0.02 0.00 0.00 177.57 178.38 2yu3 h TYR 43 N -1.00 0.00 -0.21 1.57 5.03 -0.21 -0.79 116.97 121.35 2yu3 h TYR 43 Ca -0.10 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.10 2yu3 h TYR 43 Cb 1.07 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.34 2yu3 h TYR 43 CO 0.22 0.00 -0.29 1.96 -1.32 0.00 0.00 178.16 178.73 2yu3 h GLN 44 N 0.00 0.58 -0.32 1.82 1.08 -0.68 0.50 115.11 118.09 2yu3 h GLN 44 Ca 0.11 -0.34 -0.17 0.00 -1.45 0.00 0.00 58.65 56.81 2yu3 h GLN 44 Cb 0.56 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2yu3 h GLN 44 CO -0.00 0.94 -0.47 0.82 -0.95 0.00 0.00 178.83 179.17 2yu3 h ILE 45 N 0.26 1.28 -0.21 2.54 2.04 -1.25 -2.56 117.51 119.61 2yu3 h ILE 45 Ca 0.02 -1.65 -0.18 0.00 1.00 0.00 0.00 64.86 64.06 2yu3 h ILE 45 Cb 0.87 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2yu3 h ILE 45 CO 0.07 0.54 -0.58 0.40 0.00 0.00 0.00 178.15 178.58 2yu3 h ILE 46 N 0.68 1.30 -0.52 -0.67 2.04 -1.22 -3.18 117.51 115.94 2yu3 h ILE 46 Ca 0.04 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.06 2yu3 h ILE 46 Cb 1.05 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 2yu3 h ILE 46 CO 0.11 0.57 0.23 -0.08 0.00 0.00 0.00 178.15 178.98 2yu3 h GLU 47 N 0.51 0.76 -0.17 2.37 4.22 -0.87 -2.17 114.58 119.24 2yu3 h GLU 47 Ca 0.00 -0.12 0.05 0.00 0.08 0.00 0.00 59.36 59.37 2yu3 h GLU 47 Cb 1.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2yu3 h GLU 47 CO 0.12 0.65 0.14 0.22 -2.18 0.00 0.00 179.01 177.95 2yu3 h ASP 48 N 0.69 0.00 0.16 1.04 3.58 -1.45 -0.34 116.42 120.10 2yu3 h ASP 48 Ca 0.18 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 2yu3 h ASP 48 Cb 0.15 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2yu3 h ASP 48 CO -0.02 0.00 -0.36 0.00 -2.88 0.00 0.00 179.24 175.98 2yu3 h ALA 49 N 1.87 1.14 -1.00 -0.78 0.00 -1.37 -3.47 119.26 115.65 2yu3 h ALA 49 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2yu3 h ALA 49 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2yu3 h ALA 49 CO -0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2yu3 n GLY 50 N -0.28 4.38 0.12 0.00 0.00 -0.14 -1.32 105.19 107.94 2yu3 n GLY 50 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 2yu3 n GLY 50 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yu3 h ASN 51 N 0.00 0.00 0.44 1.61 2.35 -1.91 -3.22 115.58 114.84 2yu3 h ASN 51 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2yu3 h ASN 51 CO 0.00 0.63 -0.25 0.11 -1.65 0.00 0.00 177.43 176.27 2yu3 h LYS 52 N 0.00 0.00 -2.90 0.81 1.57 -1.59 -3.49 116.57 110.97 2yu3 h LYS 52 Ca -0.02 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.06 2yu3 h LYS 52 Cb 1.49 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.65 2yu3 h LYS 52 CO 0.08 0.25 -0.97 0.41 -0.57 0.00 0.00 179.45 178.65 2yu3 n GLY 53 N -0.49 -3.04 3.10 3.86 0.00 -1.15 -4.95 105.19 102.52 2yu3 n GLY 53 Ca -0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.77 1.30 0.38 -0.61 2.07 0.52 -4.85 121.20 116.24 2yu3 s ILE 54 Ca 0.00 -0.63 -0.26 0.00 -1.41 0.00 0.00 60.65 58.35 2yu3 s ILE 54 Cb 0.00 -1.13 -0.09 0.00 0.13 0.00 0.00 42.46 41.37 2yu3 s ILE 54 CO 0.00 0.38 1.17 0.26 -1.91 0.00 0.00 174.94 174.85 2yu3 s TRP 55 N 0.19 3.11 0.54 3.50 0.52 -1.26 -1.13 118.94 124.41 2yu3 s TRP 55 Ca -0.06 1.55 0.29 0.00 0.02 0.00 0.00 56.10 57.90 2yu3 s TRP 55 Cb -0.12 -3.41 1.45 0.00 -1.15 0.00 0.00 33.47 30.24 2yu3 s TRP 55 CO 0.02 -1.30 1.94 1.03 0.02 0.00 0.00 176.95 178.66 2yu3 h SER 56 N 2.81 0.00 0.31 2.95 0.87 -1.51 0.26 113.55 119.23 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 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2yu3 h SER 56 CO 0.63 0.00 -0.79 0.03 -0.53 0.00 0.00 176.83 176.17 2yu3 h ARG 57 N 0.00 0.38 0.17 2.24 3.08 -1.90 -2.65 114.38 115.70 2yu3 h ARG 57 Ca 0.32 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2yu3 h ARG 57 Cb 1.33 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2yu3 h ARG 57 CO -0.00 1.00 -0.08 -0.44 -1.07 0.00 0.00 179.97 179.37 2yu3 h ASP 58 N 0.25 -0.19 -0.20 7.04 3.32 -0.92 -2.91 116.42 122.81 2yu3 h ASP 58 Ca -0.04 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.78 2yu3 h ASP 58 Cb 1.38 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 2yu3 h ASP 58 CO 0.13 0.37 0.24 1.62 -1.72 0.00 0.00 179.24 179.89 2yu3 h VAL 59 N -0.95 0.41 -0.09 -1.35 3.04 -1.24 -0.64 116.25 115.44 2yu3 h VAL 59 Ca -0.02 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.47 2yu3 h VAL 59 Cb 0.47 0.80 0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2yu3 h VAL 59 CO 0.04 0.00 -0.71 -0.09 -1.01 0.00 0.00 177.57 175.80 2yu3 h ARG 60 N 0.00 0.63 0.01 4.17 2.43 -1.49 -1.86 114.38 118.27 2yu3 h ARG 60 Ca 0.10 -0.56 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2yu3 h ARG 60 Cb 0.57 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2yu3 h ARG 60 CO -0.00 1.18 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.71 2yu3 h TYR 61 N 0.28 -0.02 -0.15 2.20 3.20 -0.93 0.17 116.97 121.72 2yu3 h TYR 61 Ca -0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.76 2yu3 h TYR 61 Cb 1.36 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 2yu3 h TYR 61 CO 0.11 0.27 -0.11 0.87 -1.64 0.00 0.00 178.16 177.66 2yu3 h LYS 62 N -0.31 0.23 0.00 1.82 1.57 -1.48 -2.08 116.57 116.32 2yu3 h LYS 62 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2yu3 h LYS 62 CO 0.00 0.35 -0.45 0.77 -0.57 0.00 0.00 179.45 179.56 2yu3 h SER 63 N 0.22 0.00 -2.56 0.86 0.02 -1.17 -3.47 113.55 107.44 2yu3 h SER 63 Ca 0.05 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.65 2yu3 h SER 63 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2yu3 h SER 63 CO 0.02 0.42 -0.45 -3.20 -1.14 0.00 0.00 176.83 172.48 2yu3 n ASN 64 N -3.19 -5.14 -4.52 3.07 4.05 0.60 -5.00 115.26 105.13 2yu3 n ASN 64 Ca 0.02 -0.03 -0.32 0.00 0.45 0.00 0.00 54.58 54.71 2yu3 n ASN 64 Cb 0.70 -4.21 -0.12 0.00 1.23 0.00 0.00 39.78 37.39 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 -5.06 2.86 0.69 1.20 1.43 -1.12 -5.06 118.68 113.61 2yu3 s LEU 65 Ca 0.01 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 2yu3 s LEU 65 Cb -0.01 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2yu3 s LEU 65 CO 0.02 0.29 1.11 -2.16 0.23 0.00 0.00 176.35 175.83 2yu3 s PRO 66 N -1.28 2.66 0.33 1.29 0.04 -1.26 -4.71 135.00 132.07 2yu3 s PRO 66 Ca 0.15 1.33 0.09 0.00 0.04 0.00 0.00 61.00 62.61 2yu3 s PRO 66 Cb -0.11 -1.94 0.82 0.00 0.04 0.00 0.00 34.50 33.31 2yu3 s PRO 66 CO 0.05 -1.36 1.81 1.37 0.04 0.00 0.00 177.00 178.91 2yu3 h LEU 67 N -0.27 0.70 -2.02 -3.56 -0.00 -1.98 0.27 115.31 108.45 2yu3 h LEU 67 Ca -0.46 0.07 0.12 0.00 -0.00 0.00 0.00 57.88 57.62 2yu3 h LEU 67 Cb 1.24 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2yu3 h LEU 67 CO 0.53 0.27 0.32 0.00 -0.00 0.00 0.00 178.44 179.57 2yu3 h THR 68 N 0.69 0.74 0.00 0.15 1.03 -1.99 0.24 112.91 113.77 2yu3 h THR 68 Ca 0.54 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.89 2yu3 h THR 68 Cb 0.93 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 2yu3 h THR 68 CO -0.31 0.00 -0.65 -0.33 -0.01 0.00 0.00 175.52 174.23 2yu3 h GLU 69 N 0.00 0.00 -0.89 0.00 4.39 -0.87 -3.34 114.58 113.87 2yu3 h GLU 69 Ca 0.20 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.12 2yu3 h GLU 69 Cb 0.84 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2yu3 h GLU 69 CO -0.00 0.20 0.60 0.82 -1.16 0.00 0.00 179.01 179.47 2yu3 h ILE 70 N -1.00 0.65 -0.45 3.13 1.08 -1.11 0.30 117.51 120.10 2yu3 h ILE 70 Ca -0.07 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.26 2yu3 h ILE 70 Cb 0.66 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 2yu3 h ILE 70 CO -0.04 0.06 0.12 0.78 -0.69 0.00 0.00 178.15 178.38 2yu3 h ASN 71 N 0.31 0.62 0.29 1.72 2.35 -0.70 0.57 115.58 120.73 2yu3 h ASN 71 Ca 0.46 -0.09 -0.34 0.00 -0.55 0.00 0.00 56.30 55.78 2yu3 h ASN 71 Cb 1.29 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.51 2yu3 h ASN 71 CO -0.14 0.60 -1.64 0.50 -1.65 0.00 0.00 177.43 175.11 2yu3 h LYS 72 N 0.66 0.38 0.68 0.81 3.64 -0.66 -3.19 116.57 118.88 2yu3 h LYS 72 Ca 0.15 -0.65 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 2yu3 h LYS 72 Cb 0.22 0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2yu3 h LYS 72 CO -0.01 1.28 -0.32 0.82 -2.27 0.00 0.00 179.45 178.95 2yu3 h ILE 73 N 0.10 0.16 -0.61 2.00 2.04 -0.67 0.23 117.51 120.76 2yu3 h ILE 73 Ca -0.30 -0.28 0.17 0.00 1.00 0.00 0.00 64.86 65.46 2yu3 h ILE 73 Cb 2.09 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2yu3 h ILE 73 CO 0.19 0.02 0.44 -0.07 0.00 0.00 0.00 178.15 178.73 2yu3 h LEU 74 N -1.14 0.05 0.00 1.44 3.38 -1.07 0.25 115.31 118.22 2yu3 h LEU 74 Ca -0.09 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 2yu3 h LEU 74 Cb 0.73 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2yu3 h LEU 74 CO 0.15 0.02 -0.84 0.50 0.09 0.00 0.00 178.44 178.37 2yu3 h LYS 75 N 0.05 0.00 0.60 1.13 1.63 -1.50 -3.27 116.57 115.22 2yu3 h LYS 75 Ca 0.29 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.06 2yu3 h LYS 75 Cb 1.10 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2yu3 h LYS 75 CO -0.02 0.53 -0.29 -0.97 -3.45 0.00 0.00 179.45 175.26 2yu3 h ASN 76 N 0.00 -0.68 -0.80 4.20 -0.73 0.29 -3.10 115.58 114.76 2yu3 h ASN 76 Ca -0.05 0.02 0.23 0.00 1.87 0.00 0.00 56.30 58.37 2yu3 h ASN 76 Cb 1.52 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 40.25 2yu3 h ASN 76 CO 0.07 -0.31 0.58 -0.07 -0.37 0.00 0.00 177.43 177.33 2yu3 h LEU 77 N -1.16 0.00 0.53 0.34 3.38 -1.57 -1.91 115.31 114.92 2yu3 h LEU 77 Ca -0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2yu3 h LEU 77 Cb 0.62 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2yu3 h LEU 77 CO 0.14 0.00 -0.47 -0.08 0.09 0.00 0.00 178.44 178.12 2yu3 h GLU 78 N 0.00 -0.96 -0.61 1.13 4.81 -1.58 -1.95 114.58 115.43 2yu3 h GLU 78 Ca 0.38 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.76 2yu3 h GLU 78 Cb 1.53 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 31.09 2yu3 h GLU 78 CO -0.01 -0.64 0.40 1.03 -0.73 0.00 0.00 179.01 179.07 2yu3 h SER 79 N -0.99 0.46 0.54 1.04 0.87 -1.34 0.24 113.55 114.36 2yu3 h SER 79 Ca -0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2yu3 h SER 79 Cb 0.85 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2yu3 h SER 79 CO -0.03 0.29 0.00 0.29 -0.53 0.00 0.00 176.83 176.85 2yu3 n LYS 80 N -4.48 0.09 -2.76 2.24 5.02 -0.86 -4.86 118.16 112.55 2yu3 n LYS 80 Ca 0.09 0.36 -0.18 0.00 -2.02 0.00 0.00 58.31 56.56 2yu3 n LYS 80 Cb 0.30 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.86 -3.48 -0.05 1.97 4.81 0.83 -4.90 118.16 115.48 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 0.18 -5.28 -0.15 0.00 0.02 0.00 0.00 35.03 29.79 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 -3.17 0.11 -4.46 3.14 4.77 -1.02 -4.93 117.00 111.45 2yu3 n LEU 82 Ca -0.12 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 2yu3 n LEU 82 Cb 0.61 0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 2yu3 n LEU 82 CO 0.36 0.28 -0.27 0.27 -1.33 0.00 0.00 177.39 176.70 2yu3 s ILE 83 N -2.90 1.19 -0.06 -0.08 -4.36 -1.25 -0.71 121.20 113.02 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.78 0.03 0.00 1.25 0.00 0.00 42.46 41.05 2yu3 s ILE 83 CO 0.86 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.46 2yu3 s LYS 84 N -3.88 0.39 0.31 0.37 -2.85 0.62 -4.66 119.74 110.03 2yu3 s LYS 84 Ca 0.36 0.19 -0.28 0.00 -1.00 0.00 0.00 55.97 55.24 2yu3 s LYS 84 Cb 0.08 -0.81 -0.09 0.00 -2.06 0.00 0.00 37.83 34.95 2yu3 s LYS 84 CO 0.15 -0.30 1.05 0.00 0.10 0.00 0.00 175.35 176.35 2yu3 s ALA 85 N 1.99 3.29 -0.15 0.59 0.00 -1.26 -2.30 121.76 123.91 2yu3 s ALA 85 Ca 0.04 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.77 2yu3 s ALA 85 Cb -0.12 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2yu3 s ALA 85 CO -0.04 -0.10 -0.04 0.14 0.00 0.00 0.00 175.76 175.71 2yu3 s VAL 86 N -1.34 0.95 0.08 0.00 -7.23 -0.92 -4.94 120.40 107.00 2yu3 s VAL 86 Ca 0.48 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2yu3 s VAL 86 Cb -0.27 -1.13 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2yu3 s VAL 86 CO 0.35 0.16 0.24 -1.59 -0.31 0.00 0.00 175.10 173.95 2yu3 s LYS 87 N 1.71 3.46 -0.20 4.82 -2.85 -1.26 -2.58 119.74 122.84 2yu3 s LYS 87 Ca 0.02 -0.41 -0.04 0.00 -1.00 0.00 0.00 55.97 54.54 2yu3 s LYS 87 Cb -0.15 -3.00 -0.02 0.00 -2.06 0.00 0.00 37.83 32.61 2yu3 s LYS 87 CO -0.08 0.58 -0.04 0.45 0.10 0.00 0.00 175.35 176.37 2yu3 s SER 88 N -2.58 4.47 -0.21 0.03 0.15 -1.26 -5.01 113.70 109.29 2yu3 s SER 88 Ca 0.36 -0.31 -0.26 0.00 0.70 0.00 0.00 55.95 56.44 2yu3 s SER 88 Cb -0.13 -1.76 -0.01 0.00 -1.71 0.00 0.00 66.02 62.42 2yu3 s SER 88 CO 0.28 0.03 0.86 -0.69 1.20 0.00 0.00 173.24 174.92 2yu3 s VAL 89 N 1.16 4.83 -0.07 4.45 1.01 -1.26 -4.89 120.40 125.62 2yu3 s VAL 89 Ca 0.02 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.65 2yu3 s VAL 89 Cb -0.14 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2yu3 s VAL 89 CO -0.00 -0.05 -0.08 -1.54 0.00 0.00 0.00 175.10 173.43 2yu3 n SER 90 N 5.73 1.68 0.00 3.32 3.41 -1.26 -5.14 113.62 121.36 2yu3 n SER 90 Ca 0.06 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2yu3 n SER 90 Cb 0.48 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu3 n GLY 91 N 2.78 -1.81 0.21 5.00 0.00 -1.26 -4.55 105.19 105.56 2yu3 n GLY 91 Ca -0.14 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 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 0.00 0.69 -6.24 1.61 0.13 -2.05 -3.43 132.00 122.70 2yu3 h PRO 92 Ca 0.00 -0.36 -0.59 0.00 -0.87 0.00 0.00 66.00 64.18 2yu3 h PRO 92 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 2yu3 h PRO 92 CO 0.00 0.97 1.21 -1.13 -0.23 0.00 0.00 178.00 178.82 2yu3 n SER 93 N -4.28 3.55 -0.04 1.44 3.41 -1.26 -4.82 113.62 111.62 2yu3 n SER 93 Ca -0.04 0.82 -0.07 0.00 -0.26 0.00 0.00 58.87 59.32 2yu3 n SER 93 Cb 0.46 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.95 2yu3 n SER 93 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2yu3 n SER 94 N 7.77 1.93 0.00 4.04 3.41 -1.26 -5.00 113.62 124.50 2yu3 n SER 94 Ca 0.24 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2yu3 n SER 94 Cb 0.34 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49