#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 2.07 -0.23 1.61 1.04 -1.26 -5.03 113.70 111.90 2yu3 s SER 2 Ca 0.00 1.55 0.02 0.00 0.48 0.00 0.00 55.95 57.99 2yu3 s SER 2 Cb 0.00 -2.23 0.04 0.00 0.10 0.00 0.00 66.02 63.93 2yu3 s SER 2 CO 0.00 -3.53 -0.14 -0.55 0.98 0.00 0.00 173.24 170.00 2yu3 s SER 3 N -2.90 3.93 -0.52 7.02 0.15 -1.26 -5.00 113.70 115.12 2yu3 s SER 3 Ca 0.67 -1.03 0.03 0.00 0.70 0.00 0.00 55.95 56.31 2yu3 s SER 3 Cb -0.22 -1.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.98 2yu3 s SER 3 CO 0.61 -0.11 1.53 0.61 1.20 0.00 0.00 173.24 177.07 2yu3 n GLY 4 N 4.54 6.03 3.84 9.45 0.00 -1.26 -5.00 105.19 122.79 2yu3 n GLY 4 Ca -0.17 -2.57 0.01 0.00 0.00 0.00 0.00 46.02 43.29 2yu3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu3 s SER 5 N -2.72 -0.02 -0.09 1.61 1.04 -1.26 -5.16 113.70 107.10 2yu3 s SER 5 Ca 0.54 -0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 2yu3 s SER 5 Cb 0.44 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.74 2yu3 s SER 5 CO -0.11 -0.45 0.29 -0.94 0.98 0.00 0.00 173.24 173.01 2yu3 s SER 6 N -3.44 6.55 0.00 7.02 1.04 -1.26 -4.81 113.70 118.80 2yu3 s SER 6 Ca 0.22 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2yu3 s SER 6 Cb 0.01 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2yu3 s SER 6 CO -0.00 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2yu3 n GLY 7 N 2.44 -1.95 2.89 7.32 0.00 -1.26 -5.14 105.19 109.48 2yu3 n GLY 7 Ca -0.15 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2yu3 n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yu3 s GLY 8 N 0.00 -0.01 0.48 -0.02 0.00 -1.26 -5.16 107.32 101.35 2yu3 s GLY 8 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.95 2yu3 s GLY 8 CO 0.00 0.27 0.15 1.20 0.00 0.00 0.00 173.10 174.72 2yu3 s GLN 9 N 0.29 2.19 0.48 2.90 -1.52 -1.26 -5.11 119.66 117.63 2yu3 s GLN 9 Ca -0.02 -2.11 0.07 0.00 -1.95 0.00 0.00 55.36 51.34 2yu3 s GLN 9 Cb -0.03 -1.81 0.01 0.00 -0.22 0.00 0.00 33.01 30.96 2yu3 s GLN 9 CO -0.01 -0.32 0.44 -0.51 -0.25 0.00 0.00 175.29 174.64 2yu3 s LEU 10 N -3.96 3.09 -0.66 2.90 1.02 -1.26 -5.07 118.68 114.74 2yu3 s LEU 10 Ca 0.26 -0.96 -0.22 0.00 0.02 0.00 0.00 54.13 53.24 2yu3 s LEU 10 Cb 0.02 -1.66 0.08 0.00 0.02 0.00 0.00 46.19 44.65 2yu3 s LEU 10 CO 0.15 -0.91 0.95 1.51 0.02 0.00 0.00 176.35 178.06 2yu3 s ASP 11 N -4.25 6.19 -0.20 2.29 -4.77 -1.26 -5.02 116.67 109.65 2yu3 s ASP 11 Ca 0.44 -1.07 -0.16 0.00 -3.30 0.00 0.00 52.55 48.47 2yu3 s ASP 11 Cb -0.03 -2.41 -0.04 0.00 -1.09 0.00 0.00 42.92 39.35 2yu3 s ASP 11 CO 0.27 -1.40 0.39 -0.76 0.70 0.00 0.00 175.17 174.36 2yu3 s LEU 12 N 3.89 4.16 0.69 2.11 2.01 -1.26 -5.07 118.68 125.21 2yu3 s LEU 12 Ca 0.21 0.51 -0.12 0.00 0.01 0.00 0.00 54.13 54.74 2yu3 s LEU 12 Cb -0.17 -2.49 0.01 0.00 0.01 0.00 0.00 46.19 43.55 2yu3 s LEU 12 CO 0.09 -0.06 1.08 -0.22 1.01 0.00 0.00 176.35 178.25 2yu3 s LEU 13 N 1.24 3.21 -0.17 1.79 2.96 -1.26 -5.04 118.68 121.42 2yu3 s LEU 13 Ca 0.19 1.78 -0.04 0.00 -0.22 0.00 0.00 54.13 55.83 2yu3 s LEU 13 Cb -0.15 -4.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.00 2yu3 s LEU 13 CO 0.08 -1.60 -0.02 -0.13 -1.32 0.00 0.00 176.35 173.35 2yu3 s ARG 14 N -4.66 3.68 0.91 1.98 0.52 -1.26 -5.10 118.95 115.02 2yu3 s ARG 14 Ca 0.61 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 55.21 2yu3 s ARG 14 Cb -0.16 -2.97 0.14 0.00 0.52 0.00 0.00 34.95 32.48 2yu3 s ARG 14 CO 0.50 0.20 1.12 -1.54 0.02 0.00 0.00 175.30 175.59 2yu3 s SER 15 N 0.50 3.06 0.14 0.23 1.04 -1.26 -4.94 113.70 112.48 2yu3 s SER 15 Ca -0.02 2.02 -0.31 0.00 0.48 0.00 0.00 55.95 58.12 2yu3 s SER 15 Cb -0.14 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 2yu3 s SER 15 CO 0.02 -2.98 1.30 0.20 0.98 0.00 0.00 173.24 172.77 2yu3 s ASN 16 N -2.83 6.93 0.00 7.02 -0.87 -1.26 -4.87 114.94 119.05 2yu3 s ASN 16 Ca 0.66 2.29 0.00 0.00 -1.57 0.00 0.00 52.86 54.23 2yu3 s ASN 16 Cb -0.22 -2.60 0.00 0.00 -0.02 0.00 0.00 41.25 38.42 2yu3 s ASN 16 CO 0.58 -0.54 0.00 0.41 -2.57 0.00 0.00 177.10 174.98 2yu3 n THR 17 N 3.30 0.00 0.00 1.60 -1.04 -1.26 -5.16 114.28 111.72 2yu3 n THR 17 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2yu3 n THR 17 Cb 0.43 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 1.88 0.61 3.54 3.41 0.00 -1.26 -4.65 105.19 108.72 2yu3 n GLY 18 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 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 2.87 0.09 0.99 1.43 -1.26 -4.81 118.68 117.98 2yu3 s LEU 19 Ca 0.00 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2yu3 s LEU 19 Cb 0.00 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2yu3 s LEU 19 CO 0.00 0.09 0.19 -0.22 0.23 0.00 0.00 176.35 176.64 2yu3 s LEU 20 N -2.97 4.19 0.07 1.79 2.96 -1.06 -1.83 118.68 121.83 2yu3 s LEU 20 Ca 0.25 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2yu3 s LEU 20 Cb -0.08 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.78 2yu3 s LEU 20 CO 0.15 0.14 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.94 2yu3 s TYR 21 N -1.55 0.75 0.06 5.38 1.51 0.03 -2.16 117.35 121.36 2yu3 s TYR 21 Ca 0.33 -0.78 -0.19 0.00 -1.01 0.00 0.00 57.07 55.43 2yu3 s TYR 21 Cb -0.12 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.32 2yu3 s TYR 21 CO 0.26 -0.15 0.45 1.03 -1.11 0.00 0.00 175.55 176.03 2yu3 s ARG 22 N -2.98 0.99 0.41 -0.62 0.52 -0.91 -0.34 118.95 116.02 2yu3 s ARG 22 Ca 0.03 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.74 2yu3 s ARG 22 Cb -0.00 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 35.85 2yu3 s ARG 22 CO -0.03 -0.36 0.77 0.96 0.02 0.00 0.00 175.30 176.65 2yu3 s ILE 23 N -2.76 4.80 -0.28 1.52 -4.36 -1.26 -0.27 121.20 118.59 2yu3 s ILE 23 Ca -0.04 0.57 -0.07 0.00 -0.26 0.00 0.00 60.65 60.86 2yu3 s ILE 23 Cb -0.00 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 39.96 2yu3 s ILE 23 CO -0.04 -0.55 0.08 -0.75 0.24 0.00 0.00 174.94 173.93 2yu3 s LYS 24 N -3.92 3.31 0.48 0.37 2.36 -0.21 -4.53 119.74 117.61 2yu3 s LYS 24 Ca 0.51 -0.71 0.00 0.00 -2.55 0.00 0.00 55.97 53.22 2yu3 s LYS 24 Cb -0.10 -3.38 0.00 0.00 -1.05 0.00 0.00 37.83 33.30 2yu3 s LYS 24 CO 0.33 -0.35 0.00 -3.47 1.55 0.00 0.00 175.35 173.40 2yu3 n ASP 25 N 4.90 -7.08 -0.01 1.43 -0.08 -1.26 -4.73 116.55 109.72 2yu3 n ASP 25 Ca -0.15 1.09 -0.01 0.00 -1.51 0.00 0.00 54.79 54.21 2yu3 n ASP 25 Cb 0.49 -4.16 -0.01 0.00 2.34 0.00 0.00 41.12 39.79 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2yu3 n SER 26 N -4.04 4.50 -3.27 1.67 7.64 -1.26 -4.76 113.62 114.10 2yu3 n SER 26 Ca -0.06 -0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.43 2yu3 n SER 26 Cb 0.59 0.38 0.02 0.00 -1.01 0.00 0.00 64.21 64.19 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yu3 n GLN 27 N -2.18 4.19 -3.09 1.43 3.00 -1.26 -4.79 117.38 114.68 2yu3 n GLN 27 Ca -0.02 -4.23 0.05 0.00 -0.01 0.00 0.00 57.00 52.79 2yu3 n GLN 27 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 30.24 28.40 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 -1.46 -0.62 -0.32 1.08 2.47 -1.26 -5.12 114.94 109.71 2yu3 s ASN 28 Ca 0.45 -0.00 -0.10 0.00 0.42 0.00 0.00 52.86 53.63 2yu3 s ASN 28 Cb 0.30 1.27 0.19 0.00 -1.45 0.00 0.00 41.25 41.56 2yu3 s ASN 28 CO -0.25 -0.10 1.04 0.00 -3.72 0.00 0.00 177.10 174.07 2yu3 s ALA 29 N 2.73 -4.34 0.04 1.71 0.00 -1.26 -4.93 121.76 115.72 2yu3 s ALA 29 Ca 0.23 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 2yu3 s ALA 29 Cb -0.02 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 2yu3 s ALA 29 CO -0.21 -2.40 0.02 0.20 0.00 0.00 0.00 175.76 173.37 2yu3 s GLY 30 N 2.19 0.28 -1.06 0.00 0.00 -1.26 -4.93 107.32 102.55 2yu3 s GLY 30 Ca 0.18 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 44.02 2yu3 s GLY 30 CO -0.17 -0.88 0.86 0.28 0.00 0.00 0.00 173.10 173.19 2yu3 n LYS 31 N 0.77 -1.83 0.16 2.90 4.01 -1.26 -4.90 118.16 118.01 2yu3 n LYS 31 Ca -0.19 0.76 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 2yu3 n LYS 31 Cb 0.58 -5.20 0.26 0.00 -0.51 0.00 0.00 35.03 30.16 2yu3 n LYS 31 CO 0.00 0.00 0.00 0.52 -1.11 0.00 0.00 177.40 176.81 2yu3 h MET 32 N -1.26 0.00 0.00 1.97 2.86 -2.01 -3.49 114.93 113.00 2yu3 h MET 32 Ca -0.59 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.31 2yu3 h MET 32 Cb 1.31 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.91 2yu3 h MET 32 CO 0.44 0.51 -0.34 1.63 1.06 0.00 0.00 176.91 180.21 2yu3 n LYS 33 N -3.93 -1.92 0.00 1.72 5.02 -1.26 -4.90 118.16 112.90 2yu3 n LYS 33 Ca -0.01 1.26 0.00 0.00 -2.02 0.00 0.00 58.31 57.54 2yu3 n LYS 33 Cb 0.52 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yu3 n GLY 34 N -2.82 1.41 2.71 0.72 0.00 -1.26 -3.38 105.19 102.57 2yu3 n GLY 34 Ca 0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.31 4.11 0.26 1.61 3.41 -1.26 -4.69 113.62 114.74 2yu3 n SER 35 Ca 0.00 -2.83 0.10 0.00 -0.26 0.00 0.00 58.87 55.88 2yu3 n SER 35 Cb 0.00 -1.65 0.70 0.00 -0.26 0.00 0.00 64.21 63.00 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 5.95 0.00 -0.28 4.04 2.03 -1.90 0.15 116.42 126.41 2yu3 h ASP 36 Ca 0.58 0.00 0.01 0.00 -0.73 0.00 0.00 57.03 56.89 2yu3 h ASP 36 Cb 0.62 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 2yu3 h ASP 36 CO 1.88 0.00 0.16 -1.13 -1.03 0.00 0.00 179.24 179.13 2yu3 h ASN 37 N 0.00 0.27 0.57 4.15 -1.24 -1.92 0.17 115.58 117.59 2yu3 h ASN 37 Ca 0.01 0.00 -0.28 0.00 0.71 0.00 0.00 56.30 56.74 2yu3 h ASN 37 Cb 0.05 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2yu3 h ASN 37 CO -0.00 0.20 -1.40 -0.61 -1.29 0.00 0.00 177.43 174.33 2yu3 h GLN 38 N 0.34 0.20 -0.77 6.67 5.75 -1.82 -3.23 115.11 122.25 2yu3 h GLN 38 Ca 0.11 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.22 2yu3 h GLN 38 Cb -0.01 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2yu3 h GLN 38 CO -0.05 1.08 0.30 0.93 -2.65 0.00 0.00 178.83 178.44 2yu3 h GLU 39 N 0.06 1.16 -0.43 1.69 5.08 -0.60 -2.83 114.58 118.71 2yu3 h GLU 39 Ca -0.19 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2yu3 h GLU 39 Cb 1.97 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 2yu3 h GLU 39 CO 0.16 0.95 0.11 0.87 -1.00 0.00 0.00 179.01 180.10 2yu3 h LYS 40 N 1.12 0.68 -0.32 2.33 1.57 -0.76 0.13 116.57 121.31 2yu3 h LYS 40 Ca 0.26 -0.16 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 2yu3 h LYS 40 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2yu3 h LYS 40 CO -0.02 0.68 0.24 1.25 -0.57 0.00 0.00 179.45 181.03 2yu3 h LEU 41 N 0.55 0.00 0.04 2.94 5.85 -1.52 0.55 115.31 123.72 2yu3 h LEU 41 Ca 0.13 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 2yu3 h LEU 41 Cb 0.30 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2yu3 h LEU 41 CO -0.00 0.00 -1.13 0.58 -0.34 0.00 0.00 178.44 177.55 2yu3 h VAL 42 N 0.00 1.08 -0.09 1.05 2.07 -1.22 -3.30 116.25 115.84 2yu3 h VAL 42 Ca 0.15 -2.28 0.03 0.00 0.82 0.00 0.00 66.70 65.42 2yu3 h VAL 42 Cb 0.63 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 2yu3 h VAL 42 CO -0.00 0.51 0.08 0.22 0.02 0.00 0.00 177.57 178.40 2yu3 h TYR 43 N -0.74 0.00 -0.20 1.57 5.03 -0.36 -1.49 116.97 120.78 2yu3 h TYR 43 Ca -0.28 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 60.93 2yu3 h TYR 43 Cb 1.42 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.70 2yu3 h TYR 43 CO 0.14 0.00 -0.26 1.96 -1.32 0.00 0.00 178.16 178.67 2yu3 h GLN 44 N 0.00 0.53 -0.11 1.82 1.08 -1.03 -2.09 115.11 115.30 2yu3 h GLN 44 Ca 0.04 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 56.91 2yu3 h GLN 44 Cb 0.20 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2yu3 h GLN 44 CO -0.00 0.90 -0.03 0.82 -0.95 0.00 0.00 178.83 179.57 2yu3 h ILE 45 N 0.20 1.29 -0.64 2.54 2.04 -1.41 -2.64 117.51 118.89 2yu3 h ILE 45 Ca 0.02 -0.96 0.03 0.00 1.00 0.00 0.00 64.86 64.96 2yu3 h ILE 45 Cb 0.83 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2yu3 h ILE 45 CO 0.06 0.27 0.42 0.40 0.00 0.00 0.00 178.15 179.31 2yu3 h ILE 46 N -0.10 1.09 -0.58 -0.67 2.04 -1.37 -2.02 117.51 115.90 2yu3 h ILE 46 Ca 0.03 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2yu3 h ILE 46 Cb 0.44 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2yu3 h ILE 46 CO 0.01 0.14 0.08 -0.08 0.00 0.00 0.00 178.15 178.30 2yu3 h GLU 47 N 0.76 0.98 -0.53 2.37 4.22 -1.26 -2.63 114.58 118.48 2yu3 h GLU 47 Ca 0.25 -0.27 0.10 0.00 0.08 0.00 0.00 59.36 59.53 2yu3 h GLU 47 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2yu3 h GLU 47 CO -0.07 0.93 0.36 -0.44 -2.18 0.00 0.00 179.01 177.62 2yu3 h ASP 48 N 0.87 0.24 0.29 1.04 5.19 -1.00 0.83 116.42 123.89 2yu3 h ASP 48 Ca 0.18 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.55 2yu3 h ASP 48 Cb 0.44 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2yu3 h ASP 48 CO 0.01 0.15 -0.20 0.00 -3.12 0.00 0.00 179.24 176.08 2yu3 h ALA 49 N 1.73 1.49 -0.77 3.45 0.00 -1.35 -3.47 119.26 120.34 2yu3 h ALA 49 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2yu3 h ALA 49 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yu3 h ALA 49 CO -0.05 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.86 2yu3 n GLY 50 N -0.79 2.72 0.08 0.00 0.00 0.28 -1.01 105.19 106.48 2yu3 n GLY 50 Ca -0.02 0.32 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.12 0.02 1.61 -1.07 -1.90 -3.31 115.58 111.05 2yu3 h ASN 51 Ca 0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 56.30 56.18 2yu3 h ASN 51 Cb 0.00 -0.04 -0.00 0.00 -2.07 0.00 0.00 38.32 36.21 2yu3 h ASN 51 CO 0.00 1.15 -0.02 0.11 0.07 0.00 0.00 177.43 178.74 2yu3 h LYS 52 N 0.02 0.01 -1.85 4.14 1.57 -1.46 -3.49 116.57 115.53 2yu3 h LYS 52 Ca -0.18 -0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2yu3 h LYS 52 Cb 1.93 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.17 2yu3 h LYS 52 CO 0.12 0.04 -0.61 0.41 -0.57 0.00 0.00 179.45 178.84 2yu3 n GLY 53 N -1.46 -3.18 3.28 3.86 0.00 -1.05 -4.97 105.19 101.67 2yu3 n GLY 53 Ca -0.03 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.05 2.11 0.45 -0.61 2.07 0.54 -4.85 121.20 116.86 2yu3 s ILE 54 Ca 0.00 -1.05 -0.22 0.00 -1.41 0.00 0.00 60.65 57.97 2yu3 s ILE 54 Cb 0.00 -1.76 -0.08 0.00 0.13 0.00 0.00 42.46 40.74 2yu3 s ILE 54 CO 0.00 0.57 1.06 0.26 -1.91 0.00 0.00 174.94 174.92 2yu3 s TRP 55 N -0.21 3.08 0.53 3.50 0.52 -1.26 -0.79 118.94 124.32 2yu3 s TRP 55 Ca -0.02 1.60 0.30 0.00 0.02 0.00 0.00 56.10 57.99 2yu3 s TRP 55 Cb -0.13 -3.13 1.45 0.00 -1.15 0.00 0.00 33.47 30.51 2yu3 s TRP 55 CO 0.03 -0.84 1.92 1.03 0.02 0.00 0.00 176.95 179.12 2yu3 h SER 56 N 1.96 0.01 -0.00 2.95 0.87 -1.70 0.66 113.55 118.29 2yu3 h SER 56 Ca -0.49 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.87 2yu3 h SER 56 Cb 1.22 -0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.20 2yu3 h SER 56 CO 0.60 0.00 -0.80 0.03 -0.53 0.00 0.00 176.83 176.14 2yu3 h ARG 57 N 0.01 0.54 0.67 2.24 3.08 -1.85 -2.85 114.38 116.21 2yu3 h ARG 57 Ca 0.38 -0.58 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 2yu3 h ARG 57 Cb 1.50 0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.72 2yu3 h ARG 57 CO -0.01 1.20 -0.32 -0.44 -1.07 0.00 0.00 179.97 179.34 2yu3 h ASP 58 N 0.11 -0.76 -0.21 7.04 5.19 -1.29 -1.58 116.42 124.92 2yu3 h ASP 58 Ca -0.10 -0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.36 2yu3 h ASP 58 Cb 1.48 0.20 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 2yu3 h ASP 58 CO 0.16 -0.45 0.25 1.62 -3.12 0.00 0.00 179.24 177.70 2yu3 h VAL 59 N -1.05 0.41 -0.01 -1.35 3.04 -1.33 -0.46 116.25 115.50 2yu3 h VAL 59 Ca -0.09 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.36 2yu3 h VAL 59 Cb 0.72 0.80 0.02 0.00 -2.01 0.00 0.00 31.29 30.82 2yu3 h VAL 59 CO 0.15 0.00 -0.93 -0.09 -1.01 0.00 0.00 177.57 175.69 2yu3 h ARG 60 N 0.00 0.65 0.04 4.17 2.43 -1.23 -2.11 114.38 118.34 2yu3 h ARG 60 Ca 0.10 -0.69 -0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2yu3 h ARG 60 Cb 0.60 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2yu3 h ARG 60 CO -0.00 1.28 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.80 2yu3 h TYR 61 N 0.30 -0.05 -0.14 2.20 3.20 -0.11 0.21 116.97 122.59 2yu3 h TYR 61 Ca -0.11 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.71 2yu3 h TYR 61 Cb 1.60 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.87 2yu3 h TYR 61 CO 0.11 0.25 -0.12 0.87 -1.64 0.00 0.00 178.16 177.63 2yu3 h LYS 62 N -0.35 0.21 0.00 1.82 1.57 -1.47 -2.16 116.57 116.19 2yu3 h LYS 62 Ca -0.01 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2yu3 h LYS 62 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2yu3 h LYS 62 CO 0.01 0.34 -0.55 0.77 -0.57 0.00 0.00 179.45 179.45 2yu3 h SER 63 N 0.20 0.00 -2.87 0.86 0.02 -1.23 -3.47 113.55 107.06 2yu3 h SER 63 Ca 0.04 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.64 2yu3 h SER 63 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2yu3 h SER 63 CO 0.02 0.52 -0.47 0.59 -1.14 0.00 0.00 176.83 176.35 2yu3 n ASN 64 N -3.22 -5.23 -4.53 3.07 4.13 0.73 -5.00 115.26 105.22 2yu3 n ASN 64 Ca 0.02 -0.08 -0.32 0.00 1.68 0.00 0.00 54.58 55.88 2yu3 n ASN 64 Cb 0.74 -4.24 -0.12 0.00 -1.54 0.00 0.00 39.78 34.63 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2yu3 s LEU 65 N -5.23 2.91 0.72 3.41 1.43 -1.13 -5.06 118.68 115.71 2yu3 s LEU 65 Ca 0.07 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.80 2yu3 s LEU 65 Cb -0.03 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.55 2yu3 s LEU 65 CO 0.09 0.29 1.10 -2.16 0.23 0.00 0.00 176.35 175.89 2yu3 s PRO 66 N -1.29 2.52 0.31 1.29 0.04 -1.26 -4.70 135.00 131.91 2yu3 s PRO 66 Ca 0.15 1.28 0.07 0.00 0.04 0.00 0.00 61.00 62.54 2yu3 s PRO 66 Cb -0.11 -1.92 0.75 0.00 0.04 0.00 0.00 34.50 33.26 2yu3 s PRO 66 CO 0.05 -1.45 1.80 1.37 0.04 0.00 0.00 177.00 178.81 2yu3 h LEU 67 N -0.56 0.77 -2.03 -3.56 8.10 -1.98 0.27 115.31 116.32 2yu3 h LEU 67 Ca -0.45 0.08 0.12 0.00 0.11 0.00 0.00 57.88 57.74 2yu3 h LEU 67 Cb 1.24 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.38 2yu3 h LEU 67 CO 0.53 0.31 0.32 0.74 -4.11 0.00 0.00 178.44 176.22 2yu3 h THR 68 N 0.76 0.72 0.00 0.15 2.02 -1.99 0.24 112.91 114.81 2yu3 h THR 68 Ca 0.55 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.71 2yu3 h THR 68 Cb 0.85 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2yu3 h THR 68 CO -0.33 0.00 -0.51 -0.33 0.37 0.00 0.00 175.52 174.72 2yu3 h GLU 69 N 0.00 0.00 -0.88 6.66 4.39 -0.87 -3.36 114.58 120.53 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 0.82 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.42 2yu3 h GLU 69 CO -0.00 0.09 0.60 0.82 -1.16 0.00 0.00 179.01 179.36 2yu3 h ILE 70 N -1.00 0.63 -0.59 3.13 1.08 -1.12 0.26 117.51 119.90 2yu3 h ILE 70 Ca -0.03 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2yu3 h ILE 70 Cb 0.52 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 2yu3 h ILE 70 CO -0.02 0.04 0.37 0.78 -0.69 0.00 0.00 178.15 178.63 2yu3 h ASN 71 N 0.23 0.69 0.34 1.72 4.21 -0.69 0.19 115.58 122.26 2yu3 h ASN 71 Ca 0.44 -0.03 -0.32 0.00 1.21 0.00 0.00 56.30 57.60 2yu3 h ASN 71 Cb 1.36 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 38.38 2yu3 h ASN 71 CO -0.11 0.52 -1.66 0.50 -1.29 0.00 0.00 177.43 175.39 2yu3 h LYS 72 N 0.80 0.28 0.50 0.81 3.64 -0.72 -3.24 116.57 118.64 2yu3 h LYS 72 Ca 0.21 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 2yu3 h LYS 72 Cb -0.06 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2yu3 h LYS 72 CO -0.04 1.15 -0.24 0.82 -2.27 0.00 0.00 179.45 178.87 2yu3 h ILE 73 N 0.08 0.39 -0.75 2.00 2.04 -0.77 0.14 117.51 120.63 2yu3 h ILE 73 Ca -0.29 -0.41 0.18 0.00 1.00 0.00 0.00 64.86 65.34 2yu3 h ILE 73 Cb 2.04 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2yu3 h ILE 73 CO 0.15 0.05 0.52 -0.07 0.00 0.00 0.00 178.15 178.81 2yu3 h LEU 74 N -0.95 0.24 0.00 1.44 3.38 -0.82 0.25 115.31 118.85 2yu3 h LEU 74 Ca -0.07 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 2yu3 h LEU 74 Cb 0.60 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2yu3 h LEU 74 CO 0.11 0.11 -0.79 0.50 0.09 0.00 0.00 178.44 178.47 2yu3 h LYS 75 N 0.25 0.00 0.69 1.13 1.63 -1.55 -3.24 116.57 115.47 2yu3 h LYS 75 Ca 0.37 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.14 2yu3 h LYS 75 Cb 1.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2yu3 h LYS 75 CO -0.08 0.60 -0.33 -0.97 -3.45 0.00 0.00 179.45 175.22 2yu3 h ASN 76 N 0.00 -0.78 -0.97 4.20 -0.73 0.24 -2.80 115.58 114.73 2yu3 h ASN 76 Ca -0.04 0.02 0.19 0.00 1.87 0.00 0.00 56.30 58.34 2yu3 h ASN 76 Cb 1.53 0.20 -0.09 0.00 0.27 0.00 0.00 38.32 40.23 2yu3 h ASN 76 CO 0.08 -0.40 0.61 -0.07 -0.37 0.00 0.00 177.43 177.28 2yu3 h LEU 77 N -1.24 0.67 0.35 0.34 3.38 -1.54 -1.78 115.31 115.49 2yu3 h LEU 77 Ca -0.09 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2yu3 h LEU 77 Cb 0.71 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2yu3 h LEU 77 CO 0.16 0.27 -0.35 -0.08 0.09 0.00 0.00 178.44 178.52 2yu3 h GLU 78 N 0.67 -0.71 -0.80 1.13 4.22 -1.57 -1.97 114.58 115.56 2yu3 h GLU 78 Ca 0.53 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.10 2yu3 h GLU 78 Cb 0.94 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 2yu3 h GLU 78 CO -0.29 -0.47 0.52 0.77 -2.18 0.00 0.00 179.01 177.36 2yu3 h SER 79 N -0.73 0.70 0.51 1.04 0.02 -1.08 0.24 113.55 114.26 2yu3 h SER 79 Ca -0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2yu3 h SER 79 Cb 0.66 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2yu3 h SER 79 CO -0.07 0.43 0.00 0.29 -1.14 0.00 0.00 176.83 176.34 2yu3 n LYS 80 N -4.50 0.12 -2.78 3.45 5.02 -0.79 -4.86 118.16 113.82 2yu3 n LYS 80 Ca 0.13 0.41 -0.18 0.00 -2.02 0.00 0.00 58.31 56.64 2yu3 n LYS 80 Cb 0.29 -1.75 0.02 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.97 -3.56 -0.06 1.97 4.81 0.84 -4.90 118.16 115.29 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 0.00 -0.87 0.00 0.00 58.31 58.21 2yu3 n LYS 81 Cb 0.17 -5.28 -0.16 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 -3.20 0.05 -4.64 3.14 4.77 -1.06 -4.98 117.00 111.09 2yu3 n LEU 82 Ca -0.11 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 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 0.29 -0.27 0.27 -1.33 0.00 0.00 177.39 176.71 2yu3 s ILE 83 N -2.91 1.46 -0.06 -0.08 -4.36 -1.25 -1.04 121.20 112.94 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 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.22 2yu3 s ILE 83 CO 0.86 0.00 0.00 -1.59 0.24 0.00 0.00 174.94 174.45 2yu3 s LYS 84 N -3.79 0.56 0.27 0.37 -2.85 0.63 -4.65 119.74 110.28 2yu3 s LYS 84 Ca 0.24 0.11 -0.29 0.00 -1.00 0.00 0.00 55.97 55.03 2yu3 s LYS 84 Cb 0.06 -0.90 -0.09 0.00 -2.06 0.00 0.00 37.83 34.83 2yu3 s LYS 84 CO 0.12 -0.28 0.96 0.00 0.10 0.00 0.00 175.35 176.25 2yu3 s ALA 85 N 1.86 3.30 -0.15 0.59 0.00 -1.26 -2.14 121.76 123.96 2yu3 s ALA 85 Ca 0.03 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 2yu3 s ALA 85 Cb -0.12 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.81 2yu3 s ALA 85 CO -0.05 0.14 -0.04 0.14 0.00 0.00 0.00 175.76 175.95 2yu3 s VAL 86 N -1.31 0.95 0.62 0.00 -7.23 -0.92 -4.95 120.40 107.56 2yu3 s VAL 86 Ca 0.45 -0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.04 2yu3 s VAL 86 Cb -0.25 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 2yu3 s VAL 86 CO 0.31 0.16 1.02 -1.59 -0.31 0.00 0.00 175.10 174.68 2yu3 s LYS 87 N 1.71 3.52 0.09 4.82 -2.85 -1.26 -2.57 119.74 123.19 2yu3 s LYS 87 Ca 0.02 0.68 0.08 0.00 -1.00 0.00 0.00 55.97 55.75 2yu3 s LYS 87 Cb -0.15 -2.10 -0.04 0.00 -2.06 0.00 0.00 37.83 33.49 2yu3 s LYS 87 CO -0.08 -0.59 -0.19 -1.12 0.10 0.00 0.00 175.35 173.47 2yu3 s SER 88 N -4.19 3.78 -0.02 0.03 0.01 -1.26 -4.90 113.70 107.15 2yu3 s SER 88 Ca 0.55 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 57.19 2yu3 s SER 88 Cb -0.11 -0.53 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 2yu3 s SER 88 CO 0.53 0.21 0.29 -0.69 0.41 0.00 0.00 173.24 173.99 2yu3 s VAL 89 N -1.04 5.26 0.30 3.43 1.01 -1.26 -4.89 120.40 123.21 2yu3 s VAL 89 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2yu3 s VAL 89 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2yu3 s VAL 89 CO 0.08 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 2yu3 n SER 90 N 1.48 -2.71 -4.79 3.32 2.88 -1.26 -5.16 113.62 107.39 2yu3 n SER 90 Ca -0.14 0.72 -0.22 0.00 -1.33 0.00 0.00 58.87 57.90 2yu3 n SER 90 Cb 0.53 2.68 -0.05 0.00 -0.75 0.00 0.00 64.21 66.62 2yu3 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yu3 s GLY 91 N -1.89 1.96 0.20 0.46 0.00 -1.26 -5.10 107.32 101.70 2yu3 s GLY 91 Ca 0.00 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 42.60 2yu3 s GLY 91 CO 0.00 -1.72 1.30 2.56 0.00 0.00 0.00 173.10 175.24 2yu3 s PRO 92 N -3.93 4.40 0.02 2.90 0.04 -1.26 -5.04 135.00 132.14 2yu3 s PRO 92 Ca 0.40 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 2yu3 s PRO 92 Cb -0.03 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2yu3 s PRO 92 CO 0.24 -0.23 -0.01 -1.12 0.04 0.00 0.00 177.00 175.92 2yu3 s SER 93 N 0.27 0.26 -0.05 6.66 0.01 -1.26 -5.12 113.70 114.48 2yu3 s SER 93 Ca 0.56 -0.56 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 2yu3 s SER 93 Cb -0.36 0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.94 2yu3 s SER 93 CO 0.39 -0.36 1.62 -0.44 0.41 0.00 0.00 173.24 174.85 2yu3 s SER 94 N -1.71 6.69 0.00 2.44 0.01 -1.26 -5.25 113.70 114.61 2yu3 s SER 94 Ca -0.12 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2yu3 s SER 94 Cb -0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2yu3 s SER 94 CO -0.02 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.34