#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 -7.65 -2.86 1.61 2.88 -1.26 -5.03 113.62 101.30 2yu3 n SER 2 Ca 0.00 1.37 -0.08 0.00 -1.33 0.00 0.00 58.87 58.82 2yu3 n SER 2 Cb 0.00 -3.90 0.03 0.00 -0.75 0.00 0.00 64.21 59.59 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu3 s SER 3 N -6.46 0.03 0.00 -3.46 1.04 -1.26 -5.17 113.70 98.43 2yu3 s SER 3 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 2yu3 s SER 3 Cb 0.00 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2yu3 s SER 3 CO 0.00 -1.67 0.00 0.61 0.98 0.00 0.00 173.24 173.16 2yu3 n GLY 4 N -0.55 -0.71 2.79 7.32 0.00 -1.26 -5.11 105.19 107.67 2yu3 n GLY 4 Ca -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -7.95 -4.96 1.61 7.64 -1.26 -5.02 113.62 103.68 2yu3 n SER 5 Ca 0.00 1.07 -0.22 0.00 1.01 0.00 0.00 58.87 60.73 2yu3 n SER 5 Cb 0.00 -5.21 0.02 0.00 -1.01 0.00 0.00 64.21 58.01 2yu3 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yu3 s SER 6 N -1.97 5.57 0.00 6.43 1.04 -1.26 -5.00 113.70 118.52 2yu3 s SER 6 Ca 0.10 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2yu3 s SER 6 Cb -0.03 -1.23 0.00 0.00 0.10 0.00 0.00 66.02 64.87 2yu3 s SER 6 CO 0.76 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2yu3 n GLY 7 N -2.21 -2.11 0.00 7.32 0.00 -1.26 -5.12 105.19 101.81 2yu3 n GLY 7 Ca 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.47 4.73 3.19 -0.02 0.00 -1.26 -5.16 105.19 105.19 2yu3 n GLY 8 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu3 s GLN 9 N 4.61 0.52 -0.33 1.61 2.00 -1.26 -5.12 119.66 121.68 2yu3 s GLN 9 Ca 0.00 0.99 0.03 0.00 -2.00 0.00 0.00 55.36 54.39 2yu3 s GLN 9 Cb 0.00 0.40 0.10 0.00 0.80 0.00 0.00 33.01 34.31 2yu3 s GLN 9 CO 0.00 -0.54 0.05 -0.51 -0.50 0.00 0.00 175.29 173.79 2yu3 s LEU 10 N 2.79 4.42 0.36 3.68 1.02 -1.26 -5.10 118.68 124.60 2yu3 s LEU 10 Ca 0.14 -2.07 0.08 0.00 0.02 0.00 0.00 54.13 52.30 2yu3 s LEU 10 Cb -0.14 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.48 2yu3 s LEU 10 CO -0.19 -0.38 0.08 1.51 0.02 0.00 0.00 176.35 177.38 2yu3 s ASP 11 N 0.99 4.31 -0.16 2.29 -4.77 -1.26 -5.09 116.67 112.99 2yu3 s ASP 11 Ca 0.10 -0.99 -0.29 0.00 -3.30 0.00 0.00 52.55 48.07 2yu3 s ASP 11 Cb -0.19 -0.55 -0.02 0.00 -1.09 0.00 0.00 42.92 41.08 2yu3 s ASP 11 CO -0.10 -0.33 1.28 -0.76 0.70 0.00 0.00 175.17 175.96 2yu3 s LEU 12 N -3.78 4.19 0.09 2.11 1.02 -1.26 -5.01 118.68 116.03 2yu3 s LEU 12 Ca 0.37 1.72 0.04 0.00 0.02 0.00 0.00 54.13 56.28 2yu3 s LEU 12 Cb 0.01 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 2yu3 s LEU 12 CO 0.21 -0.77 -0.11 -0.22 0.02 0.00 0.00 176.35 175.48 2yu3 s LEU 13 N 3.52 2.38 -0.35 1.79 2.96 -1.26 -5.13 118.68 122.59 2yu3 s LEU 13 Ca 0.56 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2yu3 s LEU 13 Cb -0.22 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.16 2yu3 s LEU 13 CO 0.15 -0.23 0.16 -0.13 -1.32 0.00 0.00 176.35 174.98 2yu3 s ARG 14 N -2.58 2.82 -0.22 1.98 1.81 -1.26 -5.06 118.95 116.44 2yu3 s ARG 14 Ca 0.04 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 52.99 2yu3 s ARG 14 Cb -0.04 -3.60 0.06 0.00 -0.45 0.00 0.00 34.95 30.92 2yu3 s ARG 14 CO 0.01 -0.64 -0.06 -1.54 -0.68 0.00 0.00 175.30 172.38 2yu3 s SER 15 N 1.50 3.70 -0.38 0.23 1.04 -1.26 -5.09 113.70 113.44 2yu3 s SER 15 Ca 0.01 -1.09 -0.02 0.00 0.48 0.00 0.00 55.95 55.33 2yu3 s SER 15 Cb -0.19 -1.18 0.10 0.00 0.10 0.00 0.00 66.02 64.85 2yu3 s SER 15 CO 0.05 -0.21 0.16 0.21 0.98 0.00 0.00 173.24 174.42 2yu3 s ASN 16 N 1.41 5.17 0.33 7.02 3.84 -1.26 -5.08 114.94 126.36 2yu3 s ASN 16 Ca -0.05 -1.89 0.05 0.00 0.21 0.00 0.00 52.86 51.18 2yu3 s ASN 16 Cb -0.18 -1.80 -0.07 0.00 -0.55 0.00 0.00 41.25 38.66 2yu3 s ASN 16 CO -0.07 -0.48 0.04 0.42 -2.79 0.00 0.00 177.10 174.22 2yu3 s THR 17 N 1.15 1.37 0.00 -5.21 -4.23 -1.26 -5.13 115.64 102.33 2yu3 s THR 17 Ca 0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2yu3 s THR 17 Cb -0.22 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2yu3 s THR 17 CO -0.04 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2yu3 n GLY 18 N -0.72 1.07 3.66 3.99 0.00 -1.26 -5.13 105.19 106.81 2yu3 n GLY 18 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 3.30 0.09 0.99 1.43 -1.26 -4.76 118.68 118.46 2yu3 s LEU 19 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2yu3 s LEU 19 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 2yu3 s LEU 19 CO 0.00 0.07 0.20 -0.22 0.23 0.00 0.00 176.35 176.63 2yu3 s LEU 20 N -3.07 4.23 0.06 1.79 2.96 -1.06 -1.65 118.68 121.94 2yu3 s LEU 20 Ca 0.28 0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 2yu3 s LEU 20 Cb -0.09 -2.84 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2yu3 s LEU 20 CO 0.19 0.14 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.95 2yu3 s TYR 21 N -1.56 0.85 0.09 5.38 1.51 0.46 -2.13 117.35 121.94 2yu3 s TYR 21 Ca 0.34 -0.56 -0.10 0.00 -1.01 0.00 0.00 57.07 55.73 2yu3 s TYR 21 Cb -0.12 -0.49 0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2yu3 s TYR 21 CO 0.27 -0.05 0.23 1.03 -1.11 0.00 0.00 175.55 175.91 2yu3 s ARG 22 N -2.04 0.86 0.04 -0.62 0.52 -0.76 -0.53 118.95 116.43 2yu3 s ARG 22 Ca -0.04 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 2yu3 s ARG 22 Cb -0.07 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 2yu3 s ARG 22 CO 0.00 -0.28 0.23 0.96 0.02 0.00 0.00 175.30 176.23 2yu3 s ILE 23 N -3.66 5.36 -0.19 1.52 -4.36 -1.26 -0.19 121.20 118.42 2yu3 s ILE 23 Ca 0.03 -0.18 -0.05 0.00 -0.26 0.00 0.00 60.65 60.19 2yu3 s ILE 23 Cb 0.04 -3.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.12 2yu3 s ILE 23 CO -0.10 0.22 0.01 -0.75 0.24 0.00 0.00 174.94 174.56 2yu3 s LYS 24 N -2.23 3.73 -0.07 0.37 2.36 -0.87 -4.68 119.74 118.35 2yu3 s LYS 24 Ca 0.32 -0.47 -0.05 0.00 -2.55 0.00 0.00 55.97 53.22 2yu3 s LYS 24 Cb -0.13 -3.08 0.02 0.00 -1.05 0.00 0.00 37.83 33.59 2yu3 s LYS 24 CO 0.23 0.13 0.11 -3.47 1.55 0.00 0.00 175.35 173.90 2yu3 n ASP 25 N 3.90 -4.53 -0.12 1.43 2.03 -1.26 -4.73 116.55 113.27 2yu3 n ASP 25 Ca -0.17 1.36 0.26 0.00 0.52 0.00 0.00 54.79 56.76 2yu3 n ASP 25 Cb 0.52 -4.57 0.71 0.00 -0.72 0.00 0.00 41.12 37.06 2yu3 n ASP 25 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2yu3 h SER 26 N 3.51 0.01 -3.03 1.67 0.02 -1.97 -3.37 113.55 110.39 2yu3 h SER 26 Ca -0.24 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.16 2yu3 h SER 26 Cb 0.54 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.01 2yu3 h SER 26 CO 0.00 0.00 1.03 -1.10 -1.14 0.00 0.00 176.83 175.63 2yu3 s GLN 27 N -4.99 3.43 0.08 3.45 -0.21 -1.26 -4.97 119.66 115.19 2yu3 s GLN 27 Ca -0.05 0.33 -0.35 0.00 0.02 0.00 0.00 55.36 55.31 2yu3 s GLN 27 Cb 0.21 -4.06 -0.15 0.00 1.00 0.00 0.00 33.01 30.01 2yu3 s GLN 27 CO 0.76 -1.79 1.55 0.09 -2.12 0.00 0.00 175.29 173.78 2yu3 n ASN 28 N 8.90 2.63 0.06 5.90 3.02 -1.26 -4.87 115.26 129.65 2yu3 n ASN 28 Ca 0.10 1.08 -0.04 0.00 -0.03 0.00 0.00 54.58 55.69 2yu3 n ASN 28 Cb 0.49 -1.33 0.16 0.00 -0.61 0.00 0.00 39.78 38.49 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yu3 h ALA 29 N 5.96 0.96 -1.61 5.41 0.00 -1.92 -3.47 119.26 124.58 2yu3 h ALA 29 Ca -0.46 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 53.93 2yu3 h ALA 29 Cb 1.29 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2yu3 h ALA 29 CO 0.86 0.65 -0.10 0.41 0.00 0.00 0.00 179.25 181.07 2yu3 n GLY 30 N 0.00 0.70 0.79 0.00 0.00 -1.26 -4.97 105.19 100.45 2yu3 n GLY 30 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.17 1.77 -1.31 1.61 5.02 -1.26 -5.05 118.16 117.77 2yu3 n LYS 31 Ca -0.00 -3.13 -0.29 0.00 -2.02 0.00 0.00 58.31 52.87 2yu3 n LYS 31 Cb 0.51 -1.70 0.14 0.00 -0.02 0.00 0.00 35.03 33.96 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 -3.16 1.09 -0.29 1.97 -1.94 -1.26 -4.99 119.30 110.71 2yu3 s MET 32 Ca 0.40 0.59 -0.25 0.00 -1.71 0.00 0.00 55.69 54.73 2yu3 s MET 32 Cb 0.37 -1.81 0.16 0.00 2.01 0.00 0.00 34.83 35.57 2yu3 s MET 32 CO -0.02 -2.30 1.27 0.21 -0.01 0.00 0.00 175.02 174.17 2yu3 s LYS 33 N -5.04 0.25 0.12 2.03 2.47 -1.26 -5.05 119.74 113.26 2yu3 s LYS 33 Ca 0.64 0.30 0.00 0.00 -1.56 0.00 0.00 55.97 55.34 2yu3 s LYS 33 Cb -0.17 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.32 2yu3 s LYS 33 CO 0.56 -0.03 0.00 0.41 0.16 0.00 0.00 175.35 176.45 2yu3 n GLY 34 N 1.89 -4.72 3.62 5.54 0.00 -1.26 -4.59 105.19 105.66 2yu3 n GLY 34 Ca -0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu3 n SER 35 N 1.17 -4.43 0.05 1.61 3.41 -1.26 -4.82 113.62 109.36 2yu3 n SER 35 Ca 0.00 -0.58 0.14 0.00 -0.26 0.00 0.00 58.87 58.17 2yu3 n SER 35 Cb 0.00 -3.59 0.62 0.00 -0.26 0.00 0.00 64.21 60.98 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2yu3 h ASP 36 N -1.51 0.11 0.70 4.04 2.03 -1.97 0.13 116.42 119.95 2yu3 h ASP 36 Ca -0.51 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.70 2yu3 h ASP 36 Cb 1.34 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 2yu3 h ASP 36 CO 0.62 0.07 -0.40 0.78 -1.03 0.00 0.00 179.24 179.27 2yu3 h ASN 37 N 0.12 0.00 0.86 4.15 4.21 -1.99 0.24 115.58 123.17 2yu3 h ASN 37 Ca 0.18 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.52 2yu3 h ASN 37 Cb 0.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 2yu3 h ASN 37 CO -0.02 0.40 -1.23 -0.61 -1.29 0.00 0.00 177.43 174.68 2yu3 h GLN 38 N 0.00 0.00 0.17 0.81 5.75 -1.18 -3.35 115.11 117.31 2yu3 h GLN 38 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 2yu3 h GLN 38 Cb 0.86 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.41 2yu3 h GLN 38 CO 0.05 0.39 -1.83 0.93 -2.65 0.00 0.00 178.83 175.72 2yu3 h GLU 39 N 0.00 0.36 -0.80 1.69 5.08 -0.95 -3.33 114.58 116.62 2yu3 h GLU 39 Ca -0.13 -0.61 0.19 0.00 -1.00 0.00 0.00 59.36 57.81 2yu3 h GLU 39 Cb 1.59 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 31.02 2yu3 h GLU 39 CO 0.06 1.29 0.55 1.57 -1.00 0.00 0.00 179.01 181.47 2yu3 h LYS 40 N 0.10 0.26 -0.30 2.33 2.10 -0.68 0.11 116.57 120.48 2yu3 h LYS 40 Ca -0.37 -0.02 -0.18 0.00 -2.00 0.00 0.00 60.65 58.08 2yu3 h LYS 40 Cb 2.08 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 33.35 2yu3 h LYS 40 CO 0.15 0.17 -0.53 1.25 -2.00 0.00 0.00 179.45 178.49 2yu3 h LEU 41 N 0.26 0.97 -0.08 7.07 5.85 -1.69 -2.79 115.31 124.91 2yu3 h LEU 41 Ca 0.40 -0.51 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2yu3 h LEU 41 Cb 1.16 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 2yu3 h LEU 41 CO -0.10 1.31 -0.10 0.58 -0.34 0.00 0.00 178.44 179.79 2yu3 h VAL 42 N 0.68 1.38 -0.68 1.05 2.07 -1.02 -2.98 116.25 116.75 2yu3 h VAL 42 Ca 0.02 -1.31 0.12 0.00 0.82 0.00 0.00 66.70 66.36 2yu3 h VAL 42 Cb 1.14 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 2yu3 h VAL 42 CO 0.12 0.37 0.46 0.22 0.02 0.00 0.00 177.57 178.75 2yu3 h TYR 43 N -0.23 0.46 -0.36 1.57 5.03 -0.96 -0.97 116.97 121.51 2yu3 h TYR 43 Ca 0.01 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 2yu3 h TYR 43 Cb 0.64 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 2yu3 h TYR 43 CO 0.10 0.20 -0.05 1.96 -1.32 0.00 0.00 178.16 179.05 2yu3 h GLN 44 N 0.42 0.67 -0.07 1.82 1.08 -1.43 -1.75 115.11 115.85 2yu3 h GLN 44 Ca 0.32 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2yu3 h GLN 44 Cb 0.69 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2yu3 h GLN 44 CO -0.10 0.81 0.02 0.82 -0.95 0.00 0.00 178.83 179.44 2yu3 h ILE 45 N 0.48 1.17 -0.52 2.54 2.04 -1.07 -2.43 117.51 119.72 2yu3 h ILE 45 Ca 0.10 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.45 2yu3 h ILE 45 Cb 0.54 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 2yu3 h ILE 45 CO 0.03 0.15 0.35 0.40 0.00 0.00 0.00 178.15 179.07 2yu3 h ILE 46 N -0.08 1.11 -0.23 -0.67 2.04 -1.28 -2.46 117.51 115.95 2yu3 h ILE 46 Ca 0.02 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 2yu3 h ILE 46 Cb 0.21 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2yu3 h ILE 46 CO -0.00 0.12 0.08 -0.08 0.00 0.00 0.00 178.15 178.27 2yu3 h GLU 47 N 0.67 0.35 -0.38 2.37 4.81 -1.08 -2.46 114.58 118.86 2yu3 h GLU 47 Ca 0.20 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 2yu3 h GLU 47 Cb -0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2yu3 h GLU 47 CO -0.05 0.43 0.31 0.22 -0.73 0.00 0.00 179.01 179.19 2yu3 h ASP 48 N 0.20 0.00 0.17 1.04 3.58 -0.96 0.10 116.42 120.56 2yu3 h ASP 48 Ca 0.07 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2yu3 h ASP 48 Cb 0.22 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2yu3 h ASP 48 CO -0.00 0.00 -0.32 0.00 -2.88 0.00 0.00 179.24 176.03 2yu3 h ALA 49 N 1.74 1.24 -0.85 -0.78 0.00 -1.29 -3.48 119.26 115.84 2yu3 h ALA 49 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2yu3 h ALA 49 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yu3 h ALA 49 CO -0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2yu3 n GLY 50 N -0.40 2.97 0.22 0.00 0.00 0.36 -1.65 105.19 106.69 2yu3 n GLY 50 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.79 2yu3 n GLY 50 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yu3 h ASN 51 N 5.83 0.00 -0.48 1.61 7.08 -1.92 -2.41 115.58 125.28 2yu3 h ASN 51 Ca 0.00 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.20 2yu3 h ASN 51 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 2yu3 h ASN 51 CO 0.00 0.22 0.24 0.11 -2.08 0.00 0.00 177.43 175.92 2yu3 h LYS 52 N 0.00 0.72 -1.07 4.14 1.57 -1.70 -3.49 116.57 116.74 2yu3 h LYS 52 Ca -0.00 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2yu3 h LYS 52 Cb 0.40 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 2yu3 h LYS 52 CO 0.03 0.57 -0.35 0.41 -0.57 0.00 0.00 179.45 179.54 2yu3 n GLY 53 N -1.19 -2.97 3.30 3.86 0.00 -0.91 -4.98 105.19 102.30 2yu3 n GLY 53 Ca 0.04 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.75 2.19 0.46 -0.61 2.07 0.31 -4.86 121.20 117.02 2yu3 s ILE 54 Ca 0.00 -1.02 -0.20 0.00 -1.41 0.00 0.00 60.65 58.02 2yu3 s ILE 54 Cb 0.00 -1.80 -0.10 0.00 0.13 0.00 0.00 42.46 40.69 2yu3 s ILE 54 CO 0.00 0.57 0.99 0.26 -1.91 0.00 0.00 174.94 174.85 2yu3 s TRP 55 N -0.24 3.21 0.58 3.50 0.52 -1.26 -0.40 118.94 124.84 2yu3 s TRP 55 Ca -0.01 1.58 0.28 0.00 0.02 0.00 0.00 56.10 57.96 2yu3 s TRP 55 Cb -0.13 -2.92 1.55 0.00 -1.15 0.00 0.00 33.47 30.82 2yu3 s TRP 55 CO 0.03 -0.41 2.03 1.03 0.02 0.00 0.00 176.95 179.65 2yu3 h SER 56 N 1.62 0.00 1.24 2.95 0.87 -1.67 0.27 113.55 118.83 2yu3 h SER 56 Ca -0.49 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.93 2yu3 h SER 56 Cb 1.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 2yu3 h SER 56 CO 0.60 0.00 -0.78 -0.09 -0.53 0.00 0.00 176.83 176.04 2yu3 h ARG 57 N 0.00 0.00 0.08 2.24 2.43 -1.91 -3.10 114.38 114.11 2yu3 h ARG 57 Ca 0.14 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2yu3 h ARG 57 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2yu3 h ARG 57 CO -0.00 0.60 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.59 2yu3 h ASP 58 N 0.00 -0.09 -0.86 -3.80 5.19 -0.88 -2.97 116.42 113.01 2yu3 h ASP 58 Ca -0.03 0.00 0.22 0.00 -0.62 0.00 0.00 57.03 56.60 2yu3 h ASP 58 Cb 1.53 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 2yu3 h ASP 58 CO 0.08 0.33 0.59 1.62 -3.12 0.00 0.00 179.24 178.75 2yu3 h VAL 59 N -0.89 0.62 -0.36 -1.35 3.04 -1.42 0.17 116.25 116.06 2yu3 h VAL 59 Ca -0.01 -0.06 -0.16 0.00 -1.01 0.00 0.00 66.70 65.46 2yu3 h VAL 59 Cb 0.08 0.44 -0.01 0.00 -2.01 0.00 0.00 31.29 29.79 2yu3 h VAL 59 CO 0.02 0.03 -0.39 -0.09 -1.01 0.00 0.00 177.57 176.12 2yu3 h ARG 60 N 0.17 0.88 -0.08 4.17 2.43 -1.64 -0.88 114.38 119.43 2yu3 h ARG 60 Ca 0.42 -0.47 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2yu3 h ARG 60 Cb 1.41 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.97 2yu3 h ARG 60 CO -0.08 1.11 -0.11 -0.92 -1.51 0.00 0.00 179.97 178.47 2yu3 h TYR 61 N 0.72 0.26 0.00 2.20 3.20 -0.56 0.16 116.97 122.95 2yu3 h TYR 61 Ca 0.06 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2yu3 h TYR 61 Cb 0.98 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2yu3 h TYR 61 CO 0.06 0.68 -0.20 0.87 -1.64 0.00 0.00 178.16 177.93 2yu3 h LYS 62 N -0.23 0.00 0.00 1.82 1.57 -1.18 -2.41 116.57 116.14 2yu3 h LYS 62 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2yu3 h LYS 62 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2yu3 h LYS 62 CO 0.02 0.20 -1.07 1.03 -0.57 0.00 0.00 179.45 179.07 2yu3 h SER 63 N 0.00 0.00 -2.21 0.86 0.87 -1.07 -3.48 113.55 108.52 2yu3 h SER 63 Ca -0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2yu3 h SER 63 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2yu3 h SER 63 CO 0.03 0.29 -0.43 0.59 -0.53 0.00 0.00 176.83 176.78 2yu3 n ASN 64 N -2.84 -5.11 -4.69 6.23 3.02 0.53 -4.99 115.26 107.41 2yu3 n ASN 64 Ca -0.04 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.24 2yu3 n ASN 64 Cb 0.69 -4.19 -0.09 0.00 -0.61 0.00 0.00 39.78 35.58 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2yu3 s LEU 65 N -4.84 3.54 0.62 3.41 1.43 -1.09 -5.05 118.68 116.70 2yu3 s LEU 65 Ca 0.00 0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 2yu3 s LEU 65 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2yu3 s LEU 65 CO 0.00 0.30 1.12 -2.16 0.23 0.00 0.00 176.35 175.84 2yu3 s PRO 66 N -1.42 2.97 0.30 1.29 0.04 -1.26 -4.74 135.00 132.18 2yu3 s PRO 66 Ca 0.18 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.72 2yu3 s PRO 66 Cb -0.11 -1.97 0.69 0.00 0.04 0.00 0.00 34.50 33.15 2yu3 s PRO 66 CO 0.09 -1.12 1.80 1.37 0.04 0.00 0.00 177.00 179.18 2yu3 h LEU 67 N 0.38 0.82 -2.10 -3.56 8.10 -1.98 0.27 115.31 117.25 2yu3 h LEU 67 Ca -0.48 0.08 0.09 0.00 0.11 0.00 0.00 57.88 57.68 2yu3 h LEU 67 Cb 1.25 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.55 0.35 0.32 0.00 -4.11 0.00 0.00 178.44 175.55 2yu3 h THR 68 N 0.83 0.46 0.00 0.15 1.03 -2.00 0.24 112.91 113.63 2yu3 h THR 68 Ca 0.54 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.94 2yu3 h THR 68 Cb 0.76 0.75 -0.00 0.00 -1.07 0.00 0.00 68.15 68.59 2yu3 h THR 68 CO -0.33 0.00 -0.65 -0.62 -0.01 0.00 0.00 175.52 173.91 2yu3 n GLU 69 N -3.83 0.47 -0.18 0.00 -0.58 0.84 -4.22 120.64 113.14 2yu3 n GLU 69 Ca 0.05 0.45 0.25 0.00 -0.42 0.00 0.00 57.16 57.48 2yu3 n GLU 69 Cb 0.47 -1.63 0.65 0.00 -0.57 0.00 0.00 31.44 30.36 2yu3 n GLU 69 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2yu3 h ILE 70 N -1.00 0.61 -0.83 -3.67 1.08 -1.12 0.95 117.51 113.52 2yu3 h ILE 70 Ca -0.01 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.47 2yu3 h ILE 70 Cb 0.65 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 2yu3 h ILE 70 CO -0.00 0.02 0.52 0.78 -0.69 0.00 0.00 178.15 178.78 2yu3 h ASN 71 N 0.13 0.82 0.36 1.72 2.35 -0.72 0.25 115.58 120.50 2yu3 h ASN 71 Ca 0.43 0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 55.86 2yu3 h ASN 71 Cb 1.47 -0.16 0.02 0.00 0.05 0.00 0.00 38.32 39.70 2yu3 h ASN 71 CO -0.06 0.54 -1.47 0.50 -1.65 0.00 0.00 177.43 175.28 2yu3 h LYS 72 N 0.96 0.43 0.75 0.81 3.64 -1.04 -3.20 116.57 118.92 2yu3 h LYS 72 Ca 0.35 -0.74 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2yu3 h LYS 72 Cb 0.12 0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2yu3 h LYS 72 CO -0.16 1.34 -0.36 0.82 -2.27 0.00 0.00 179.45 178.82 2yu3 h ILE 73 N 0.12 0.18 -0.85 2.00 2.04 -0.87 0.24 117.51 120.37 2yu3 h ILE 73 Ca -0.24 -0.14 0.22 0.00 1.00 0.00 0.00 64.86 65.69 2yu3 h ILE 73 Cb 2.10 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2yu3 h ILE 73 CO 0.23 0.01 0.59 -0.07 0.00 0.00 0.00 178.15 178.91 2yu3 h LEU 74 N -1.13 0.20 0.04 1.44 3.38 -0.68 0.24 115.31 118.81 2yu3 h LEU 74 Ca -0.10 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.65 2yu3 h LEU 74 Cb 0.80 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2yu3 h LEU 74 CO 0.17 0.08 -1.09 0.50 0.09 0.00 0.00 178.44 178.19 2yu3 h LYS 75 N 0.20 0.09 0.89 1.13 3.64 -1.49 -3.22 116.57 117.82 2yu3 h LYS 75 Ca 0.42 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2yu3 h LYS 75 Cb 1.35 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2yu3 h LYS 75 CO -0.09 1.07 -0.43 -0.97 -2.27 0.00 0.00 179.45 176.76 2yu3 h ASN 76 N 0.03 -1.02 -0.92 4.20 -0.73 0.29 -2.45 115.58 114.99 2yu3 h ASN 76 Ca -0.06 0.04 0.20 0.00 1.87 0.00 0.00 56.30 58.35 2yu3 h ASN 76 Cb 1.84 0.26 -0.07 0.00 0.27 0.00 0.00 38.32 40.63 2yu3 h ASN 76 CO 0.16 -0.70 0.60 -0.07 -0.37 0.00 0.00 177.43 177.04 2yu3 h LEU 77 N -1.25 0.44 0.67 0.34 3.38 -1.57 -1.78 115.31 115.54 2yu3 h LEU 77 Ca -0.12 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 2yu3 h LEU 77 Cb 0.92 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2yu3 h LEU 77 CO 0.20 0.17 -0.40 -0.08 0.09 0.00 0.00 178.44 178.42 2yu3 h GLU 78 N 0.43 -0.97 -0.67 1.13 4.22 -1.51 -2.25 114.58 114.97 2yu3 h GLU 78 Ca 0.48 0.07 0.08 0.00 0.08 0.00 0.00 59.36 60.07 2yu3 h GLU 78 Cb 1.16 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 2yu3 h GLU 78 CO -0.19 -0.64 0.44 0.77 -2.18 0.00 0.00 179.01 177.20 2yu3 h SER 79 N -1.00 0.53 0.53 1.04 0.02 -0.88 0.24 113.55 114.03 2yu3 h SER 79 Ca -0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2yu3 h SER 79 Cb 0.81 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2yu3 h SER 79 CO 0.09 0.33 0.00 0.29 -1.14 0.00 0.00 176.83 176.41 2yu3 n LYS 80 N -4.48 0.10 -2.76 3.45 5.02 -0.75 -4.86 118.16 113.87 2yu3 n LYS 80 Ca 0.10 0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 56.58 2yu3 n LYS 80 Cb 0.29 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.88 -3.46 -0.05 1.97 4.81 0.84 -4.90 118.16 115.49 2yu3 n LYS 81 Ca 0.02 0.78 -0.02 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.29 -0.15 0.00 0.02 0.00 0.00 35.03 29.78 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 0.14 -4.62 3.14 4.77 -1.01 -4.98 117.00 111.27 2yu3 n LEU 82 Ca -0.12 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 2yu3 n LEU 82 Cb 0.61 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 2yu3 n LEU 82 CO 0.36 0.28 -0.26 0.27 -1.33 0.00 0.00 177.39 176.70 2yu3 s ILE 83 N -2.90 1.39 -0.07 -0.08 -4.36 -1.25 -2.04 121.20 111.89 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2yu3 s ILE 83 Cb 0.09 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2yu3 s ILE 83 CO 0.85 0.00 -0.00 -1.59 0.24 0.00 0.00 174.94 174.44 2yu3 s LYS 84 N -3.80 0.63 0.28 0.37 -2.85 0.73 -4.68 119.74 110.43 2yu3 s LYS 84 Ca 0.25 0.09 -0.29 0.00 -1.00 0.00 0.00 55.97 55.02 2yu3 s LYS 84 Cb 0.06 -0.97 -0.09 0.00 -2.06 0.00 0.00 37.83 34.77 2yu3 s LYS 84 CO 0.12 -0.29 0.99 0.00 0.10 0.00 0.00 175.35 176.27 2yu3 s ALA 85 N 1.91 3.31 -0.15 0.59 0.00 -1.26 -1.82 121.76 124.34 2yu3 s ALA 85 Ca 0.04 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.67 2yu3 s ALA 85 Cb -0.12 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2yu3 s ALA 85 CO -0.05 0.07 -0.04 0.14 0.00 0.00 0.00 175.76 175.88 2yu3 s VAL 86 N -1.30 0.96 0.20 0.00 -7.23 -0.91 -4.93 120.40 107.19 2yu3 s VAL 86 Ca 0.45 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2yu3 s VAL 86 Cb -0.26 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 2yu3 s VAL 86 CO 0.32 0.16 0.96 -0.75 -0.31 0.00 0.00 175.10 175.48 2yu3 s LYS 87 N 1.71 4.79 0.19 4.82 2.20 -1.26 -2.56 119.74 129.63 2yu3 s LYS 87 Ca 0.02 1.50 -0.21 0.00 -0.36 0.00 0.00 55.97 56.92 2yu3 s LYS 87 Cb -0.15 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.79 2yu3 s LYS 87 CO -0.08 0.40 0.71 -1.54 -0.36 0.00 0.00 175.35 174.48 2yu3 s SER 88 N -0.77 7.13 -0.31 1.43 1.04 -1.26 -4.60 113.70 116.35 2yu3 s SER 88 Ca 0.43 1.44 -0.03 0.00 0.48 0.00 0.00 55.95 58.28 2yu3 s SER 88 Cb -0.26 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2yu3 s SER 88 CO 0.32 0.10 0.09 0.52 0.98 0.00 0.00 173.24 175.25 2yu3 n VAL 89 N 1.04-11.37 -2.01 5.02 0.31 -1.26 -4.81 118.33 105.24 2yu3 n VAL 89 Ca -0.04 1.64 -0.42 0.00 -0.01 0.00 0.00 64.34 65.51 2yu3 n VAL 89 Cb 0.50 -6.76 0.00 0.00 -0.91 0.00 0.00 33.84 26.67 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 0.59 4.27 -4.92 4.52 7.64 -1.26 -4.94 113.62 119.53 2yu3 n SER 90 Ca 0.02 -2.89 -0.20 0.00 1.01 0.00 0.00 58.87 56.81 2yu3 n SER 90 Cb 0.10 -1.65 -0.02 0.00 -1.01 0.00 0.00 64.21 61.62 2yu3 n SER 90 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yu3 s GLY 91 N 3.13 1.88 -1.03 0.23 0.00 -1.26 -5.02 107.32 105.25 2yu3 s GLY 91 Ca 0.47 -1.68 -0.24 0.00 0.00 0.00 0.00 44.72 43.27 2yu3 s GLY 91 CO -0.04 -1.56 1.94 2.56 0.00 0.00 0.00 173.10 176.00 2yu3 s PRO 92 N -4.13 2.53 -0.21 2.90 0.04 -1.26 -4.61 135.00 130.26 2yu3 s PRO 92 Ca 0.46 -0.69 0.24 0.00 0.04 0.00 0.00 61.00 61.05 2yu3 s PRO 92 Cb -0.07 -5.14 0.49 0.00 0.04 0.00 0.00 34.50 29.82 2yu3 s PRO 92 CO 0.29 -3.65 1.12 -1.13 0.04 0.00 0.00 177.00 173.67 2yu3 n SER 93 N 14.15 1.47 -0.05 6.66 3.41 -1.26 -4.91 113.62 133.09 2yu3 n SER 93 Ca 0.42 -2.03 -0.07 0.00 -0.26 0.00 0.00 58.87 56.94 2yu3 n SER 93 Cb 0.47 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yu3 n SER 94 N -0.38 1.69 0.00 4.04 2.88 -1.26 -5.27 113.62 115.32 2yu3 n SER 94 Ca 0.07 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2yu3 n SER 94 Cb 0.87 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42