#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 -0.41 -3.91 1.61 7.64 -1.26 -5.12 113.62 112.17 2yu3 n SER 2 Ca 0.00 -2.91 -0.09 0.00 1.01 0.00 0.00 58.87 56.88 2yu3 n SER 2 Cb 0.00 0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.54 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yu3 s SER 3 N -2.05 -0.10 0.82 6.43 0.01 -1.26 -5.18 113.70 112.37 2yu3 s SER 3 Ca 0.27 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2yu3 s SER 3 Cb 0.38 0.54 0.00 0.00 0.21 0.00 0.00 66.02 67.16 2yu3 s SER 3 CO -0.04 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2yu3 n GLY 4 N -0.32 -2.46 3.21 3.44 0.00 -1.26 -5.10 105.19 102.70 2yu3 n GLY 4 Ca -0.06 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.53 0.17 0.12 1.61 1.04 -1.26 -5.04 113.70 108.81 2yu3 s SER 5 Ca 0.00 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.51 2yu3 s SER 5 Cb 0.00 0.33 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 2yu3 s SER 5 CO 0.00 -0.74 0.54 -0.94 0.98 0.00 0.00 173.24 173.08 2yu3 s SER 6 N -2.90 6.88 0.00 7.02 1.04 -1.26 -5.09 113.70 119.39 2yu3 s SER 6 Ca 0.08 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2yu3 s SER 6 Cb 0.05 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2yu3 s SER 6 CO -0.08 0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2yu3 n GLY 7 N 1.07 1.19 0.00 7.32 0.00 -1.26 -5.10 105.19 108.42 2yu3 n GLY 7 Ca -0.07 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 5.00 -0.55 3.61 -0.02 0.00 -1.26 -5.12 105.19 106.85 2yu3 n GLY 8 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yu3 s GLN 9 N 0.00 0.49 -0.57 1.61 1.11 -1.26 -5.05 119.66 115.99 2yu3 s GLN 9 Ca 0.00 0.35 0.00 0.00 0.01 0.00 0.00 55.36 55.72 2yu3 s GLN 9 Cb 0.00 0.23 0.46 0.00 -1.01 0.00 0.00 33.01 32.69 2yu3 s GLN 9 CO 0.00 -0.10 1.84 1.47 0.01 0.00 0.00 175.29 178.51 2yu3 n LEU 10 N 1.49 7.01 -3.94 2.90 -0.00 -1.26 -4.95 117.00 118.25 2yu3 n LEU 10 Ca -0.11 -4.36 -0.10 0.00 -0.00 0.00 0.00 56.01 51.45 2yu3 n LEU 10 Cb 0.57 -0.83 -0.10 0.00 -0.00 0.00 0.00 43.42 43.06 2yu3 n LEU 10 CO 0.08 1.59 -0.26 -1.81 -0.00 0.00 0.00 177.39 176.99 2yu3 s ASP 11 N -2.21 0.18 0.08 1.45 1.11 -1.26 -5.16 116.67 110.85 2yu3 s ASP 11 Ca 0.61 -0.47 0.02 0.00 0.18 0.00 0.00 52.55 52.89 2yu3 s ASP 11 Cb 0.49 0.18 -0.04 0.00 1.07 0.00 0.00 42.92 44.61 2yu3 s ASP 11 CO 0.00 -0.41 0.14 -0.76 1.18 0.00 0.00 175.17 175.32 2yu3 s LEU 12 N -1.77 4.03 0.01 1.23 1.02 -1.26 -5.12 118.68 116.81 2yu3 s LEU 12 Ca -0.10 0.10 -0.00 0.00 0.02 0.00 0.00 54.13 54.14 2yu3 s LEU 12 Cb -0.05 -2.67 -0.01 0.00 0.02 0.00 0.00 46.19 43.48 2yu3 s LEU 12 CO -0.02 0.16 -0.00 -0.22 0.02 0.00 0.00 176.35 176.29 2yu3 s LEU 13 N -2.49 2.06 -0.69 1.79 0.20 -1.26 -5.11 118.68 113.19 2yu3 s LEU 13 Ca 0.32 -0.18 -0.19 0.00 0.69 0.00 0.00 54.13 54.77 2yu3 s LEU 13 Cb -0.12 0.06 0.12 0.00 -0.43 0.00 0.00 46.19 45.82 2yu3 s LEU 13 CO 0.24 -0.12 0.82 -0.13 -0.29 0.00 0.00 176.35 176.88 2yu3 s ARG 14 N -0.55 3.21 0.02 1.98 1.81 -1.26 -5.00 118.95 119.15 2yu3 s ARG 14 Ca -0.06 -1.46 -0.06 0.00 -1.72 0.00 0.00 55.73 52.44 2yu3 s ARG 14 Cb -0.04 -4.40 -0.01 0.00 -0.45 0.00 0.00 34.95 30.06 2yu3 s ARG 14 CO -0.00 -1.60 0.10 -1.54 -0.68 0.00 0.00 175.30 171.58 2yu3 s SER 15 N 3.48 0.12 -0.23 0.23 1.04 -1.26 -5.15 113.70 111.94 2yu3 s SER 15 Ca 0.17 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.17 2yu3 s SER 15 Cb -0.18 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2yu3 s SER 15 CO 0.02 -0.42 -0.02 0.21 0.98 0.00 0.00 173.24 174.01 2yu3 s ASN 16 N -1.72 4.47 -0.07 7.02 3.04 -1.26 -5.01 114.94 121.41 2yu3 s ASN 16 Ca -0.11 -0.36 -0.07 0.00 0.04 0.00 0.00 52.86 52.36 2yu3 s ASN 16 Cb -0.05 -1.78 -0.04 0.00 -1.54 0.00 0.00 41.25 37.84 2yu3 s ASN 16 CO -0.01 -0.03 0.29 0.74 -3.04 0.00 0.00 177.10 175.05 2yu3 h THR 17 N 5.68 0.00 0.00 -5.21 2.02 -2.03 -3.51 112.91 109.86 2yu3 h THR 17 Ca -0.41 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 65.99 2yu3 h THR 17 Cb 1.16 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2yu3 h THR 17 CO 0.60 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.10 2yu3 n GLY 18 N 1.14 0.66 3.43 2.16 0.00 -1.26 -4.66 105.19 106.66 2yu3 n GLY 18 Ca -0.03 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 2.47 0.09 0.99 1.43 -1.26 -4.91 118.68 117.49 2yu3 s LEU 19 Ca 0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 2yu3 s LEU 19 Cb 0.00 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2yu3 s LEU 19 CO 0.00 0.09 0.22 -0.22 0.23 0.00 0.00 176.35 176.67 2yu3 s LEU 20 N -2.86 4.30 0.04 1.79 2.96 -1.06 -1.56 118.68 122.29 2yu3 s LEU 20 Ca 0.22 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2yu3 s LEU 20 Cb -0.07 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 2yu3 s LEU 20 CO 0.11 0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.89 2yu3 s TYR 21 N -1.57 0.64 0.07 5.38 1.51 0.08 -2.15 117.35 121.30 2yu3 s TYR 21 Ca 0.34 -0.53 -0.12 0.00 -1.01 0.00 0.00 57.07 55.75 2yu3 s TYR 21 Cb -0.12 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.35 2yu3 s TYR 21 CO 0.28 -0.10 0.27 1.03 -1.11 0.00 0.00 175.55 175.91 2yu3 s ARG 22 N -1.72 0.84 0.40 -0.62 0.52 -0.96 -0.17 118.95 117.25 2yu3 s ARG 22 Ca -0.09 -0.68 -0.08 0.00 -0.52 0.00 0.00 55.73 54.35 2yu3 s ARG 22 Cb -0.09 0.36 -0.06 0.00 0.52 0.00 0.00 34.95 35.68 2yu3 s ARG 22 CO -0.00 -0.27 0.73 0.96 0.02 0.00 0.00 175.30 176.74 2yu3 s ILE 23 N -3.11 4.85 -0.26 1.52 -4.36 -1.26 -0.27 121.20 118.31 2yu3 s ILE 23 Ca -0.01 0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 60.70 2yu3 s ILE 23 Cb 0.01 -3.76 -0.05 0.00 1.25 0.00 0.00 42.46 39.91 2yu3 s ILE 23 CO -0.07 -0.55 0.20 -0.75 0.24 0.00 0.00 174.94 174.01 2yu3 s LYS 24 N -3.97 4.00 0.33 0.37 2.20 -0.33 -4.52 119.74 117.81 2yu3 s LYS 24 Ca 0.49 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2yu3 s LYS 24 Cb -0.10 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 2yu3 s LYS 24 CO 0.34 -0.11 0.00 -0.25 -0.36 0.00 0.00 175.35 174.97 2yu3 n ASP 25 N 4.83 -8.16 0.03 1.43 9.92 -1.26 -4.81 116.55 118.54 2yu3 n ASP 25 Ca -0.14 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 2yu3 n ASP 25 Cb 0.52 -4.21 0.00 0.00 -0.64 0.00 0.00 41.12 36.79 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2yu3 n SER 26 N -4.31 0.25 -3.54 -2.24 3.41 -1.26 -4.87 113.62 101.06 2yu3 n SER 26 Ca 0.01 0.10 -0.41 0.00 -0.26 0.00 0.00 58.87 58.32 2yu3 n SER 26 Cb 0.66 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.57 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 -3.08 3.65 -1.17 4.33 -0.06 -1.26 -4.83 117.38 114.96 2yu3 n GLN 27 Ca 0.00 -2.76 -0.00 0.00 -2.00 0.00 0.00 57.00 52.24 2yu3 n GLN 27 Cb 0.20 -2.91 0.00 0.00 -4.06 0.00 0.00 30.24 23.46 2yu3 n GLN 27 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2yu3 n ASN 28 N 3.91 -0.01 -0.83 1.69 5.15 -1.26 -5.15 115.26 118.76 2yu3 n ASN 28 Ca 0.63 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.60 2yu3 n ASN 28 Cb 0.30 0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 2yu3 n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yu3 n ALA 29 N -2.99 0.00 0.00 5.20 0.00 -1.26 -4.99 120.51 116.47 2yu3 n ALA 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2yu3 n ALA 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 1.48 1.20 0.00 0.00 -1.26 -5.00 105.19 101.62 2yu3 n GLY 30 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.03 0.00 -0.38 1.61 4.01 -1.26 -5.12 118.16 116.00 2yu3 n LYS 31 Ca 0.00 -1.68 -0.27 0.00 -0.51 0.00 0.00 58.31 55.85 2yu3 n LYS 31 Cb 0.00 -0.12 0.24 0.00 -0.51 0.00 0.00 35.03 34.64 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2yu3 n MET 32 N 0.35 -3.60 -3.72 1.97 2.81 -1.26 -5.06 117.12 108.60 2yu3 n MET 32 Ca 0.03 -1.06 -0.01 0.00 -1.81 0.00 0.00 57.70 54.85 2yu3 n MET 32 Cb 1.01 -1.81 -0.01 0.00 -0.71 0.00 0.00 33.22 31.71 2yu3 n MET 32 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2yu3 s LYS 33 N -4.39 0.85 -0.22 0.03 2.20 -1.26 -4.99 119.74 111.95 2yu3 s LYS 33 Ca 0.58 -0.48 -0.09 0.00 -0.36 0.00 0.00 55.97 55.62 2yu3 s LYS 33 Cb -0.12 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2yu3 s LYS 33 CO 0.52 -0.39 0.17 0.41 -0.36 0.00 0.00 175.35 175.70 2yu3 n GLY 34 N -0.52 -4.87 2.91 5.54 0.00 -1.26 -4.12 105.19 102.87 2yu3 n GLY 34 Ca -0.06 1.38 -0.22 0.00 0.00 0.00 0.00 46.02 47.12 2yu3 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 35 N 1.43 -5.94 0.13 1.61 7.64 -1.26 -4.84 113.62 112.39 2yu3 n SER 35 Ca -0.29 -0.23 0.18 0.00 1.01 0.00 0.00 58.87 59.54 2yu3 n SER 35 Cb 0.45 -4.84 0.77 0.00 -1.01 0.00 0.00 64.21 59.58 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2yu3 h ASP 36 N -1.09 0.00 -0.40 6.43 2.03 -1.95 -0.27 116.42 121.18 2yu3 h ASP 36 Ca -0.52 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.75 2yu3 h ASP 36 Cb 1.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.84 2yu3 h ASP 36 CO 0.57 0.00 0.13 -1.13 -1.03 0.00 0.00 179.24 177.78 2yu3 h ASN 37 N 0.00 0.59 0.64 4.15 -0.73 -1.95 0.20 115.58 118.48 2yu3 h ASN 37 Ca 0.15 -0.20 -0.25 0.00 1.87 0.00 0.00 56.30 57.86 2yu3 h ASN 37 Cb 0.75 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.18 2yu3 h ASN 37 CO -0.00 0.64 -1.13 1.56 -0.37 0.00 0.00 177.43 178.12 2yu3 h GLN 38 N 0.51 0.24 -0.04 6.67 7.50 -1.54 -3.19 115.11 125.26 2yu3 h GLN 38 Ca 0.13 -0.37 -0.01 0.00 0.50 0.00 0.00 58.65 58.90 2yu3 h GLN 38 Cb 0.26 0.13 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 2yu3 h GLN 38 CO -0.00 1.15 -0.02 0.93 -1.50 0.00 0.00 178.83 179.38 2yu3 h GLU 39 N 0.09 0.08 -0.94 1.46 5.08 -1.02 -3.13 114.58 116.20 2yu3 h GLU 39 Ca -0.10 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2yu3 h GLU 39 Cb 1.84 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.00 2yu3 h GLU 39 CO 0.18 0.47 0.57 0.87 -1.00 0.00 0.00 179.01 180.09 2yu3 h LYS 40 N -0.31 0.83 -0.23 2.33 1.57 -0.71 0.23 116.57 120.29 2yu3 h LYS 40 Ca 0.01 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2yu3 h LYS 40 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2yu3 h LYS 40 CO 0.01 0.55 0.21 1.25 -0.57 0.00 0.00 179.45 180.90 2yu3 h LEU 41 N 0.86 0.00 0.06 2.94 5.85 -1.53 -0.39 115.31 123.10 2yu3 h LEU 41 Ca 0.49 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.87 2yu3 h LEU 41 Cb 0.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2yu3 h LEU 41 CO -0.30 0.00 -1.92 0.52 -0.34 0.00 0.00 178.44 176.41 2yu3 n VAL 42 N -4.02 1.65 0.18 1.05 0.31 0.56 -3.91 118.33 114.14 2yu3 n VAL 42 Ca 0.03 -0.44 0.12 0.00 -0.01 0.00 0.00 64.34 64.04 2yu3 n VAL 42 Cb 0.35 -1.79 0.68 0.00 -0.91 0.00 0.00 33.84 32.16 2yu3 n VAL 42 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2yu3 h TYR 43 N -0.36 0.00 -0.28 3.52 3.20 -0.35 -1.25 116.97 121.46 2yu3 h TYR 43 Ca -0.45 0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.24 2yu3 h TYR 43 Cb 1.76 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.04 2yu3 h TYR 43 CO 0.06 0.00 -0.51 1.96 -1.64 0.00 0.00 178.16 178.03 2yu3 h GLN 44 N 0.00 0.84 -0.26 1.82 1.08 -1.25 -1.31 115.11 116.04 2yu3 h GLN 44 Ca 0.08 -0.53 -0.07 0.00 -1.45 0.00 0.00 58.65 56.68 2yu3 h GLN 44 Cb 0.34 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2yu3 h GLN 44 CO -0.00 1.16 -0.11 0.82 -0.95 0.00 0.00 178.83 179.75 2yu3 h ILE 45 N 0.61 1.30 -0.43 2.54 2.04 -1.39 -2.11 117.51 120.07 2yu3 h ILE 45 Ca 0.02 -1.18 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 2yu3 h ILE 45 Cb 1.12 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2yu3 h ILE 45 CO 0.11 0.37 -0.10 0.40 0.00 0.00 0.00 178.15 178.93 2yu3 h ILE 46 N 0.26 1.25 -0.62 -0.67 2.04 -1.32 -2.92 117.51 115.53 2yu3 h ILE 46 Ca 0.06 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.69 2yu3 h ILE 46 Cb 0.61 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 2yu3 h ILE 46 CO 0.04 0.39 0.09 -0.08 0.00 0.00 0.00 178.15 178.59 2yu3 h GLU 47 N 0.69 1.04 0.00 2.37 4.22 -1.17 -2.45 114.58 119.28 2yu3 h GLU 47 Ca 0.12 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.27 2yu3 h GLU 47 Cb 0.57 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2yu3 h GLU 47 CO 0.04 0.98 -0.01 -0.44 -2.18 0.00 0.00 179.01 177.39 2yu3 h ASP 48 N 0.95 0.00 -0.02 1.04 3.32 -1.20 -1.30 116.42 119.21 2yu3 h ASP 48 Ca 0.19 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2yu3 h ASP 48 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2yu3 h ASP 48 CO 0.01 0.01 -0.20 0.00 -1.72 0.00 0.00 179.24 177.35 2yu3 h ALA 49 N 1.99 1.24 -0.71 3.45 0.00 -1.33 -3.48 119.26 120.43 2yu3 h ALA 49 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2yu3 h ALA 49 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2yu3 h ALA 49 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2yu3 n GLY 50 N -0.55 3.73 0.09 0.00 0.00 -0.49 -2.14 105.19 105.83 2yu3 n GLY 50 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2yu3 n GLY 50 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2yu3 h ASN 51 N 0.00 0.00 0.08 1.61 -0.73 -1.91 -3.31 115.58 111.32 2yu3 h ASN 51 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2yu3 h ASN 51 CO 0.00 0.80 -0.15 0.11 -0.37 0.00 0.00 177.43 177.82 2yu3 h LYS 52 N 0.00 0.15 -1.60 6.67 1.57 -1.83 -3.49 116.57 118.04 2yu3 h LYS 52 Ca -0.12 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.79 2yu3 h LYS 52 Cb 1.72 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.92 2yu3 h LYS 52 CO 0.08 0.30 -0.56 0.41 -0.57 0.00 0.00 179.45 179.11 2yu3 n GLY 53 N -0.93 -2.86 3.17 3.86 0.00 -1.20 -4.97 105.19 102.26 2yu3 n GLY 53 Ca -0.01 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.43 1.59 0.50 -0.61 2.07 0.76 -4.86 121.20 117.22 2yu3 s ILE 54 Ca 0.00 -0.80 -0.20 0.00 -1.41 0.00 0.00 60.65 58.24 2yu3 s ILE 54 Cb 0.00 -1.36 -0.08 0.00 0.13 0.00 0.00 42.46 41.16 2yu3 s ILE 54 CO 0.00 0.45 1.08 0.26 -1.91 0.00 0.00 174.94 174.82 2yu3 s TRP 55 N 0.00 2.89 0.53 3.50 0.52 -1.26 -0.74 118.94 124.38 2yu3 s TRP 55 Ca -0.04 1.57 0.30 0.00 0.02 0.00 0.00 56.10 57.94 2yu3 s TRP 55 Cb -0.12 -3.16 1.45 0.00 -1.15 0.00 0.00 33.47 30.49 2yu3 s TRP 55 CO 0.03 -1.12 1.92 1.03 0.02 0.00 0.00 176.95 178.83 2yu3 h SER 56 N 1.50 0.01 -0.04 2.95 0.87 -1.63 -0.12 113.55 117.09 2yu3 h SER 56 Ca -0.50 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 59.98 2yu3 h SER 56 Cb 1.24 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2yu3 h SER 56 CO 0.58 0.00 -0.31 0.03 -0.53 0.00 0.00 176.83 176.60 2yu3 h ARG 57 N 0.01 0.29 0.81 2.24 3.08 -1.84 -2.70 114.38 116.25 2yu3 h ARG 57 Ca 0.38 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 2yu3 h ARG 57 Cb 1.50 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.61 2yu3 h ARG 57 CO -0.01 0.92 -0.40 -0.44 -1.07 0.00 0.00 179.97 178.97 2yu3 h ASP 58 N -0.26 -0.95 -0.21 7.04 5.19 -1.43 -0.05 116.42 125.76 2yu3 h ASP 58 Ca -0.03 0.04 0.06 0.00 -0.62 0.00 0.00 57.03 56.48 2yu3 h ASP 58 Cb 0.99 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 2yu3 h ASP 58 CO 0.06 -0.67 0.25 1.62 -3.12 0.00 0.00 179.24 177.38 2yu3 h VAL 59 N -1.10 0.42 0.10 -1.35 3.04 -1.38 -0.63 116.25 115.35 2yu3 h VAL 59 Ca -0.11 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.33 2yu3 h VAL 59 Cb 0.84 0.80 0.02 0.00 -2.01 0.00 0.00 31.29 30.95 2yu3 h VAL 59 CO 0.17 0.00 -1.02 -0.09 -1.01 0.00 0.00 177.57 175.62 2yu3 h ARG 60 N 0.00 0.51 0.18 4.17 2.43 -1.06 -2.55 114.38 118.06 2yu3 h ARG 60 Ca 0.10 -0.69 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 2yu3 h ARG 60 Cb 0.59 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2yu3 h ARG 60 CO -0.00 1.30 -0.08 -0.92 -1.51 0.00 0.00 179.97 178.75 2yu3 h TYR 61 N 0.06 -0.22 -0.27 2.20 3.20 0.43 0.21 116.97 122.58 2yu3 h TYR 61 Ca -0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 2yu3 h TYR 61 Cb 1.73 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 2yu3 h TYR 61 CO 0.14 0.10 0.14 0.87 -1.64 0.00 0.00 178.16 177.77 2yu3 h LYS 62 N -0.56 0.37 0.00 1.82 1.57 -1.38 -1.40 116.57 116.99 2yu3 h LYS 62 Ca -0.02 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 2yu3 h LYS 62 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2yu3 h LYS 62 CO 0.04 0.28 -0.53 1.03 -0.57 0.00 0.00 179.45 179.70 2yu3 h SER 63 N 0.37 0.00 -5.00 0.86 0.87 -1.33 -3.48 113.55 105.84 2yu3 h SER 63 Ca 0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.32 2yu3 h SER 63 Cb 0.03 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 62.10 2yu3 h SER 63 CO -0.02 0.46 -0.56 0.59 -0.53 0.00 0.00 176.83 176.77 2yu3 n ASN 64 N -3.19 -5.66 -4.33 6.23 4.13 0.72 -5.01 115.26 108.16 2yu3 n ASN 64 Ca 0.01 -0.44 -0.30 0.00 1.68 0.00 0.00 54.58 55.53 2yu3 n ASN 64 Cb 0.72 -4.27 -0.15 0.00 -1.54 0.00 0.00 39.78 34.55 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 -6.23 2.15 0.68 3.41 1.43 -1.06 -5.06 118.68 113.99 2yu3 s LEU 65 Ca 0.49 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 2yu3 s LEU 65 Cb -0.21 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.77 2yu3 s LEU 65 CO 0.60 0.25 1.11 -2.16 0.23 0.00 0.00 176.35 176.38 2yu3 s PRO 66 N -1.13 2.70 0.52 1.29 0.04 -1.26 -4.72 135.00 132.44 2yu3 s PRO 66 Ca 0.11 1.35 0.26 0.00 0.04 0.00 0.00 61.00 62.76 2yu3 s PRO 66 Cb -0.10 -1.94 1.39 0.00 0.04 0.00 0.00 34.50 33.90 2yu3 s PRO 66 CO 0.02 -1.32 1.96 1.37 0.04 0.00 0.00 177.00 179.06 2yu3 h LEU 67 N -0.19 0.03 -1.65 -3.56 -0.00 -1.98 0.26 115.31 108.23 2yu3 h LEU 67 Ca -0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.39 2yu3 h LEU 67 Cb 1.24 -0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 2yu3 h LEU 67 CO 0.54 0.02 -0.16 0.00 -0.00 0.00 0.00 178.44 178.83 2yu3 h THR 68 N 0.04 1.12 0.00 0.15 1.03 -2.00 -0.68 112.91 112.57 2yu3 h THR 68 Ca 0.32 -0.59 -0.04 0.00 -0.01 0.00 0.00 66.41 66.09 2yu3 h THR 68 Cb 1.22 1.30 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 2yu3 h THR 68 CO -0.02 0.17 -0.57 -0.33 -0.01 0.00 0.00 175.52 174.76 2yu3 h GLU 69 N 0.02 0.00 -0.86 0.00 4.39 -0.86 -3.37 114.58 113.89 2yu3 h GLU 69 Ca 0.00 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.93 2yu3 h GLU 69 Cb 0.30 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2yu3 h GLU 69 CO 0.02 0.22 0.60 0.82 -1.16 0.00 0.00 179.01 179.52 2yu3 h ILE 70 N -1.00 0.61 -0.81 3.13 1.08 -1.34 0.90 117.51 120.08 2yu3 h ILE 70 Ca -0.07 -0.04 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2yu3 h ILE 70 Cb 0.61 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 2yu3 h ILE 70 CO -0.04 0.02 0.51 0.78 -0.69 0.00 0.00 178.15 178.73 2yu3 h ASN 71 N 0.13 0.82 0.52 1.72 2.35 -1.28 0.25 115.58 120.08 2yu3 h ASN 71 Ca 0.42 0.01 -0.29 0.00 -0.55 0.00 0.00 56.30 55.89 2yu3 h ASN 71 Cb 1.47 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 39.69 2yu3 h ASN 71 CO -0.06 0.54 -1.36 0.50 -1.65 0.00 0.00 177.43 175.40 2yu3 h LYS 72 N 0.96 0.33 0.68 0.81 3.64 -1.03 -3.15 116.57 118.80 2yu3 h LYS 72 Ca 0.34 -0.56 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2yu3 h LYS 72 Cb 0.09 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2yu3 h LYS 72 CO -0.14 1.25 -0.32 0.82 -2.27 0.00 0.00 179.45 178.78 2yu3 h ILE 73 N 0.09 0.19 -0.67 2.00 2.04 -0.83 0.24 117.51 120.57 2yu3 h ILE 73 Ca -0.18 -0.25 0.17 0.00 1.00 0.00 0.00 64.86 65.60 2yu3 h ILE 73 Cb 2.03 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2yu3 h ILE 73 CO 0.21 0.02 0.47 -0.07 0.00 0.00 0.00 178.15 178.78 2yu3 h LEU 74 N -1.11 0.14 0.00 1.44 3.38 -0.68 0.25 115.31 118.73 2yu3 h LEU 74 Ca -0.09 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 2yu3 h LEU 74 Cb 0.73 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2yu3 h LEU 74 CO 0.15 0.07 -0.78 0.11 0.09 0.00 0.00 178.44 178.09 2yu3 h LYS 75 N 0.15 0.00 0.65 1.13 1.79 -1.47 -3.24 116.57 115.59 2yu3 h LYS 75 Ca 0.33 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.76 2yu3 h LYS 75 Cb 1.08 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.74 2yu3 h LYS 75 CO -0.05 0.55 -0.31 -0.97 -1.08 0.00 0.00 179.45 177.59 2yu3 h ASN 76 N 0.00 -0.74 -0.98 0.86 -0.73 0.30 -2.84 115.58 111.44 2yu3 h ASN 76 Ca -0.04 0.03 0.18 0.00 1.87 0.00 0.00 56.30 58.34 2yu3 h ASN 76 Cb 1.50 0.19 -0.09 0.00 0.27 0.00 0.00 38.32 40.19 2yu3 h ASN 76 CO 0.07 -0.36 0.61 -0.07 -0.37 0.00 0.00 177.43 177.32 2yu3 h LEU 77 N -1.23 0.73 0.33 0.34 3.38 -1.56 -1.82 115.31 115.47 2yu3 h LEU 77 Ca -0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2yu3 h LEU 77 Cb 0.67 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 2yu3 h LEU 77 CO 0.15 0.29 -0.38 -0.08 0.09 0.00 0.00 178.44 178.50 2yu3 h GLU 78 N 0.72 -0.72 -0.77 1.13 4.22 -1.57 -1.90 114.58 115.70 2yu3 h GLU 78 Ca 0.54 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.12 2yu3 h GLU 78 Cb 0.90 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 2yu3 h GLU 78 CO -0.32 -0.48 0.50 1.03 -2.18 0.00 0.00 179.01 177.56 2yu3 h SER 79 N -0.75 0.66 0.52 1.04 0.87 -1.11 0.24 113.55 115.02 2yu3 h SER 79 Ca -0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2yu3 h SER 79 Cb 0.69 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2yu3 h SER 79 CO -0.09 0.41 0.00 0.29 -0.53 0.00 0.00 176.83 176.90 2yu3 n LYS 80 N -4.49 0.11 -2.77 2.24 5.02 -0.76 -4.86 118.16 112.64 2yu3 n LYS 80 Ca 0.12 0.39 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 2yu3 n LYS 80 Cb 0.29 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.93 -3.52 -0.05 1.97 0.00 0.84 -4.90 118.16 110.58 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 0.00 0.00 0.00 0.00 58.31 59.09 2yu3 n LYS 81 Cb 0.17 -5.29 -0.16 0.00 0.00 0.00 0.00 35.03 29.76 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2yu3 n LEU 82 N -3.19 0.09 -4.61 3.14 4.77 -1.06 -4.97 117.00 111.18 2yu3 n LEU 82 Ca -0.12 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.62 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 -0.26 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.90 1.34 -0.07 -0.08 -4.36 -1.25 -1.19 121.20 112.69 2yu3 s ILE 83 Ca -0.09 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.60 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2yu3 s ILE 83 CO 0.86 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.80 0.40 0.31 0.37 -2.85 0.63 -4.64 119.74 110.15 2yu3 s LYS 84 Ca 0.25 0.14 -0.28 0.00 -1.00 0.00 0.00 55.97 55.08 2yu3 s LYS 84 Cb 0.06 -0.95 -0.09 0.00 -2.06 0.00 0.00 37.83 34.79 2yu3 s LYS 84 CO 0.12 -0.35 1.05 0.00 0.10 0.00 0.00 175.35 176.28 2yu3 s ALA 85 N 2.03 3.30 -0.15 0.59 0.00 -1.26 -2.26 121.76 124.01 2yu3 s ALA 85 Ca 0.05 0.78 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 2yu3 s ALA 85 Cb -0.13 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 19.75 2yu3 s ALA 85 CO -0.05 -0.10 -0.04 0.14 0.00 0.00 0.00 175.76 175.71 2yu3 s VAL 86 N -1.32 0.95 0.04 0.00 -7.23 -0.92 -4.94 120.40 106.99 2yu3 s VAL 86 Ca 0.48 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2yu3 s VAL 86 Cb -0.28 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2yu3 s VAL 86 CO 0.35 0.16 0.17 -1.59 -0.31 0.00 0.00 175.10 173.88 2yu3 s LYS 87 N 1.71 3.32 0.06 4.82 -2.85 -1.26 -2.57 119.74 122.97 2yu3 s LYS 87 Ca 0.02 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2yu3 s LYS 87 Cb -0.15 -2.99 -0.05 0.00 -2.06 0.00 0.00 37.83 32.58 2yu3 s LYS 87 CO -0.08 0.62 1.16 0.45 0.10 0.00 0.00 175.35 177.61 2yu3 s SER 88 N -2.28 7.13 -0.00 0.03 0.15 -1.26 -4.99 113.70 112.48 2yu3 s SER 88 Ca 0.31 1.97 -0.30 0.00 0.70 0.00 0.00 55.95 58.63 2yu3 s SER 88 Cb -0.13 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 2yu3 s SER 88 CO 0.23 -0.43 1.31 -0.69 1.20 0.00 0.00 173.24 174.87 2yu3 s VAL 89 N 0.97 3.90 -0.19 4.45 1.01 -1.26 -4.91 120.40 124.38 2yu3 s VAL 89 Ca 0.57 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.91 2yu3 s VAL 89 Cb -0.28 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 2yu3 s VAL 89 CO 0.29 0.02 -0.08 -1.54 0.00 0.00 0.00 175.10 173.79 2yu3 n SER 90 N 5.03 1.74 -0.57 3.32 3.41 -1.26 -5.09 113.62 120.21 2yu3 n SER 90 Ca 0.12 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2yu3 n SER 90 Cb 0.45 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 2.27 -0.44 0.26 5.00 0.00 -1.26 -4.97 105.19 106.04 2yu3 n GLY 91 Ca -0.33 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 1.61 0.13 -2.02 -3.49 132.00 128.23 2yu3 h PRO 92 Ca 0.00 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.50 2yu3 h PRO 92 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2yu3 h PRO 92 CO 0.00 0.10 -0.50 0.45 -0.23 0.00 0.00 178.00 177.83 2yu3 n SER 93 N -3.27 -8.39 -4.73 1.44 2.88 -1.26 -4.73 113.62 95.56 2yu3 n SER 93 Ca -0.00 1.48 -0.39 0.00 -1.33 0.00 0.00 58.87 58.63 2yu3 n SER 93 Cb 0.34 -4.15 -0.05 0.00 -0.75 0.00 0.00 64.21 59.59 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu3 s SER 94 N -6.98 6.92 0.00 -3.46 1.04 -1.26 -5.29 113.70 104.67 2yu3 s SER 94 Ca 0.00 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.54 2yu3 s SER 94 Cb 0.00 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.74 2yu3 s SER 94 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78