#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 4.42 0.10 1.61 7.64 -1.26 -4.82 113.62 121.31 2yu3 n SER 2 Ca 0.00 -3.66 -0.03 0.00 1.01 0.00 0.00 58.87 56.18 2yu3 n SER 2 Cb 0.00 -0.52 0.17 0.00 -1.01 0.00 0.00 64.21 62.84 2yu3 n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2yu3 h SER 3 N 2.82 0.22 -3.46 6.43 4.64 -2.13 -3.49 113.55 118.59 2yu3 h SER 3 Ca 0.19 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2yu3 h SER 3 Cb 0.69 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 2yu3 h SER 3 CO 0.82 0.72 -0.30 0.61 -0.87 0.00 0.00 176.83 177.81 2yu3 n GLY 4 N 0.10 -3.58 3.13 -0.77 0.00 -1.26 -5.01 105.19 97.81 2yu3 n GLY 4 Ca -0.02 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.16 5.10 -0.39 1.61 1.04 -1.26 -4.94 113.70 114.70 2yu3 s SER 5 Ca -0.02 -1.77 0.06 0.00 0.48 0.00 0.00 55.95 54.70 2yu3 s SER 5 Cb 0.00 -1.77 0.63 0.00 0.10 0.00 0.00 66.02 64.98 2yu3 s SER 5 CO 0.06 -0.43 1.77 -1.54 0.98 0.00 0.00 173.24 174.08 2yu3 n SER 6 N 4.58 3.49 -4.18 7.02 3.41 -1.26 -4.81 113.62 121.87 2yu3 n SER 6 Ca -0.05 -3.61 -0.44 0.00 -0.26 0.00 0.00 58.87 54.50 2yu3 n SER 6 Cb 0.42 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2yu3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu3 n GLY 7 N -1.03 4.54 0.00 5.00 0.00 -1.26 -4.94 105.19 107.49 2yu3 n GLY 7 Ca 0.50 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 2.35 -1.01 2.41 -0.02 0.00 -1.26 -5.07 105.19 102.59 2yu3 n GLY 8 Ca 0.28 -1.08 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.23 0.91 -3.64 1.61 10.64 -1.26 -5.15 117.38 120.26 2yu3 n GLN 9 Ca 0.00 -0.99 -0.20 0.00 -1.83 0.00 0.00 57.00 53.98 2yu3 n GLN 9 Cb 0.00 0.21 -0.01 0.00 -0.86 0.00 0.00 30.24 29.58 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 -2.84 4.10 -0.55 2.61 2.01 -1.26 -5.06 118.68 117.69 2yu3 s LEU 10 Ca 0.09 -0.02 0.06 0.00 0.01 0.00 0.00 54.13 54.27 2yu3 s LEU 10 Cb 0.30 -2.85 0.34 0.00 0.01 0.00 0.00 46.19 43.99 2yu3 s LEU 10 CO -0.08 -0.29 0.93 -0.67 1.01 0.00 0.00 176.35 177.24 2yu3 n ASP 11 N -1.58 4.07 -4.92 2.29 2.03 -1.26 -4.99 116.55 112.20 2yu3 n ASP 11 Ca -0.04 -3.61 -0.27 0.00 0.52 0.00 0.00 54.79 51.39 2yu3 n ASP 11 Cb 0.57 -0.57 0.07 0.00 -0.72 0.00 0.00 41.12 40.48 2yu3 n ASP 11 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2yu3 s LEU 12 N -3.36 2.79 0.56 -2.67 1.43 -1.26 -4.94 118.68 111.23 2yu3 s LEU 12 Ca 0.48 0.61 0.27 0.00 -1.03 0.00 0.00 54.13 54.46 2yu3 s LEU 12 Cb 0.29 -3.25 1.51 0.00 0.03 0.00 0.00 46.19 44.76 2yu3 s LEU 12 CO -0.13 -1.60 2.02 0.25 0.23 0.00 0.00 176.35 177.12 2yu3 h LEU 13 N -0.67 0.00 -9.67 1.79 5.85 -2.00 -3.43 115.31 107.18 2yu3 h LEU 13 Ca -0.45 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.85 2yu3 h LEU 13 Cb 1.31 0.00 0.22 0.00 0.37 0.00 0.00 40.66 42.56 2yu3 h LEU 13 CO 0.62 0.00 -0.84 0.54 -0.34 0.00 0.00 178.44 178.42 2yu3 n ARG 14 N -4.03 -2.00 -2.28 1.25 1.74 -1.26 -4.82 116.66 105.26 2yu3 n ARG 14 Ca 0.06 -0.57 -0.43 0.00 -0.77 0.00 0.00 57.85 56.14 2yu3 n ARG 14 Cb 0.49 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.97 6.18 -0.17 0.55 0.01 -1.26 -4.99 113.70 112.05 2yu3 s SER 15 Ca 0.56 0.80 -0.04 0.00 1.31 0.00 0.00 55.95 58.58 2yu3 s SER 15 Cb -0.13 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.54 2yu3 s SER 15 CO 0.62 -1.56 -0.03 0.21 0.41 0.00 0.00 173.24 172.89 2yu3 s ASN 16 N 4.56 4.79 0.53 2.44 3.84 -1.26 -5.02 114.94 124.82 2yu3 s ASN 16 Ca 0.63 -0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.55 2yu3 s ASN 16 Cb -0.15 -1.79 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 2yu3 s ASN 16 CO 0.31 0.14 0.00 0.41 -2.79 0.00 0.00 177.10 175.17 2yu3 n THR 17 N 3.72 0.00 0.00 -5.21 -1.04 -1.26 -4.97 114.28 105.52 2yu3 n THR 17 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2yu3 n THR 17 Cb 0.52 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 -2.00 1.14 3.49 3.41 0.00 -1.26 -5.11 105.19 104.86 2yu3 n GLY 18 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 2.67 0.12 0.99 1.43 -1.26 -4.83 118.68 117.80 2yu3 s LEU 19 Ca 0.00 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2yu3 s LEU 19 Cb 0.00 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2yu3 s LEU 19 CO 0.00 0.09 0.30 -0.22 0.23 0.00 0.00 176.35 176.76 2yu3 s LEU 20 N -2.92 4.30 0.08 1.79 2.96 -1.06 -0.97 118.68 122.87 2yu3 s LEU 20 Ca 0.24 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2yu3 s LEU 20 Cb -0.08 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 2yu3 s LEU 20 CO 0.13 0.08 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.86 2yu3 s TYR 21 N -1.65 0.85 0.01 5.38 1.51 0.01 -2.11 117.35 121.36 2yu3 s TYR 21 Ca 0.37 -0.79 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 2yu3 s TYR 21 Cb -0.12 -0.49 0.06 0.00 -0.11 0.00 0.00 41.96 41.29 2yu3 s TYR 21 CO 0.27 -0.12 0.56 1.03 -1.11 0.00 0.00 175.55 176.18 2yu3 s ARG 22 N -3.17 1.02 0.48 -0.62 0.52 -1.03 -0.91 118.95 115.24 2yu3 s ARG 22 Ca 0.06 -0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2yu3 s ARG 22 Cb 0.01 0.47 -0.06 0.00 0.52 0.00 0.00 34.95 35.89 2yu3 s ARG 22 CO -0.03 -0.35 0.87 0.96 0.02 0.00 0.00 175.30 176.77 2yu3 s ILE 23 N -1.96 4.74 -0.25 1.52 -4.36 -1.26 -0.24 121.20 119.38 2yu3 s ILE 23 Ca -0.08 0.73 -0.08 0.00 -0.26 0.00 0.00 60.65 60.96 2yu3 s ILE 23 Cb -0.01 -3.78 -0.03 0.00 1.25 0.00 0.00 42.46 39.89 2yu3 s ILE 23 CO 0.02 -0.74 0.09 -0.75 0.24 0.00 0.00 174.94 173.80 2yu3 s LYS 24 N -4.31 3.71 0.43 0.37 2.36 -0.15 -4.53 119.74 117.61 2yu3 s LYS 24 Ca 0.53 -0.45 0.00 0.00 -2.55 0.00 0.00 55.97 53.50 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 0.38 -0.18 0.00 -0.25 1.55 0.00 0.00 175.35 176.85 2yu3 n ASP 25 N 4.92 -8.16 -0.90 1.43 9.92 -1.26 -4.76 116.55 117.74 2yu3 n ASP 25 Ca -0.16 0.88 0.05 0.00 -0.53 0.00 0.00 54.79 55.03 2yu3 n ASP 25 Cb 0.52 -4.34 0.08 0.00 -0.64 0.00 0.00 41.12 36.73 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 -4.18 1.17 -1.63 -2.24 3.41 -1.26 -4.77 113.62 104.12 2yu3 n SER 26 Ca -0.03 -2.65 -0.03 0.00 -0.26 0.00 0.00 58.87 55.91 2yu3 n SER 26 Cb 0.63 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 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 -0.26 0.44 -3.46 4.33 0.00 -1.26 -5.04 117.38 112.13 2yu3 n GLN 27 Ca 0.10 -1.53 -0.28 0.00 -0.00 0.00 0.00 57.00 55.28 2yu3 n GLN 27 Cb 0.88 0.16 -0.12 0.00 0.00 0.00 0.00 30.24 31.16 2yu3 n GLN 27 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2yu3 s ASN 28 N -1.54 2.86 -0.42 1.69 -0.87 -1.26 -4.99 114.94 110.41 2yu3 s ASN 28 Ca 0.13 -2.10 0.09 0.00 -1.57 0.00 0.00 52.86 49.41 2yu3 s ASN 28 Cb 0.21 -0.32 0.35 0.00 -0.02 0.00 0.00 41.25 41.47 2yu3 s ASN 28 CO -0.07 -0.31 1.04 0.00 -2.57 0.00 0.00 177.10 175.18 2yu3 n ALA 29 N 4.12 0.55 -1.76 0.60 0.00 -1.26 -4.94 120.51 117.82 2yu3 n ALA 29 Ca 0.11 -2.08 0.04 0.00 0.00 0.00 0.00 53.44 51.51 2yu3 n ALA 29 Cb 0.38 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 0.17 2.25 2.64 0.00 0.00 -1.26 -4.79 105.19 104.21 2yu3 n GLY 30 Ca 0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 46.02 45.52 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yu3 n LYS 31 N -0.45 1.96 -2.96 1.61 0.00 -1.26 -5.10 118.16 111.96 2yu3 n LYS 31 Ca 0.07 -3.56 -0.31 0.00 -0.00 0.00 0.00 58.31 54.52 2yu3 n LYS 31 Cb 0.74 -1.66 -0.04 0.00 -0.00 0.00 0.00 35.03 34.08 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2yu3 s MET 32 N -3.63 3.82 0.24 -1.58 -1.94 -1.26 -5.04 119.30 109.91 2yu3 s MET 32 Ca 0.31 0.49 -0.09 0.00 -1.71 0.00 0.00 55.69 54.69 2yu3 s MET 32 Cb 0.34 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.74 2yu3 s MET 32 CO -0.03 0.03 0.39 0.15 -0.01 0.00 0.00 175.02 175.55 2yu3 s LYS 33 N -3.60 1.49 3.96 2.03 -0.14 -1.26 -5.06 119.74 117.16 2yu3 s LYS 33 Ca 0.51 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 2yu3 s LYS 33 Cb -0.10 0.42 0.00 0.00 -1.68 0.00 0.00 37.83 36.47 2yu3 s LYS 33 CO 0.28 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.68 2yu3 n GLY 34 N -0.37 0.67 3.58 -3.33 0.00 -1.26 -4.32 105.19 100.16 2yu3 n GLY 34 Ca -0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu3 s SER 35 N -4.00 5.43 0.44 1.61 1.04 -1.26 -4.72 113.70 112.25 2yu3 s SER 35 Ca 0.00 -1.74 0.16 0.00 0.48 0.00 0.00 55.95 54.84 2yu3 s SER 35 Cb 0.00 -2.58 1.01 0.00 0.10 0.00 0.00 66.02 64.54 2yu3 s SER 35 CO 0.00 -2.64 1.97 0.44 0.98 0.00 0.00 173.24 173.99 2yu3 h ASP 36 N 9.41 0.00 0.12 7.02 3.32 -1.98 0.12 116.42 134.44 2yu3 h ASP 36 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2yu3 h ASP 36 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2yu3 h ASP 36 CO 1.28 0.21 -0.06 0.78 -1.72 0.00 0.00 179.24 179.73 2yu3 h ASN 37 N 0.00 -0.14 0.83 6.45 4.21 -1.96 0.22 115.58 125.18 2yu3 h ASN 37 Ca -0.00 -0.15 -0.17 0.00 1.21 0.00 0.00 56.30 57.19 2yu3 h ASN 37 Cb 0.40 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 2yu3 h ASN 37 CO 0.03 0.07 -0.80 1.56 -1.29 0.00 0.00 177.43 177.00 2yu3 h GLN 38 N -0.35 0.00 -0.28 0.81 7.50 -1.92 -2.82 115.11 118.04 2yu3 h GLN 38 Ca -0.02 0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.97 2yu3 h GLN 38 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.81 2yu3 h GLN 38 CO 0.03 0.80 -0.45 0.93 -1.50 0.00 0.00 178.83 178.64 2yu3 h GLU 39 N 0.00 0.81 -0.37 1.46 5.08 -0.68 -3.17 114.58 117.72 2yu3 h GLU 39 Ca -0.01 -0.49 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 2yu3 h GLU 39 Cb 1.43 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2yu3 h GLU 39 CO 0.10 1.12 -0.07 0.87 -1.00 0.00 0.00 179.01 180.03 2yu3 h LYS 40 N 0.57 0.69 -0.75 2.33 1.57 -0.60 -0.91 116.57 119.48 2yu3 h LYS 40 Ca 0.02 -0.26 0.21 0.00 -1.87 0.00 0.00 60.65 58.76 2yu3 h LYS 40 Cb 1.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2yu3 h LYS 40 CO 0.10 0.84 0.53 1.25 -0.57 0.00 0.00 179.45 181.60 2yu3 h LEU 41 N 0.49 0.04 0.10 2.94 5.85 -1.51 0.13 115.31 123.35 2yu3 h LEU 41 Ca 0.09 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.52 2yu3 h LEU 41 Cb 0.57 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2yu3 h LEU 41 CO 0.03 0.02 -1.58 0.58 -0.34 0.00 0.00 178.44 177.15 2yu3 h VAL 42 N 0.04 0.88 -0.71 1.05 2.07 -1.47 -3.32 116.25 114.80 2yu3 h VAL 42 Ca 0.36 -2.34 0.04 0.00 0.82 0.00 0.00 66.70 65.57 2yu3 h VAL 42 Cb 1.37 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 2yu3 h VAL 42 CO -0.02 0.70 0.47 0.22 0.02 0.00 0.00 177.57 178.95 2yu3 h TYR 43 N -0.30 0.81 -0.48 1.57 5.03 -0.20 -1.83 116.97 121.58 2yu3 h TYR 43 Ca -0.35 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 60.95 2yu3 h TYR 43 Cb 1.77 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.76 2yu3 h TYR 43 CO 0.10 0.47 0.20 1.96 -1.32 0.00 0.00 178.16 179.57 2yu3 h GLN 44 N 0.83 0.71 -0.19 1.82 1.08 -0.93 0.23 115.11 118.65 2yu3 h GLN 44 Ca 0.29 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2yu3 h GLN 44 Cb 0.09 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2yu3 h GLN 44 CO -0.08 0.63 0.08 0.82 -0.95 0.00 0.00 178.83 179.32 2yu3 h ILE 45 N 0.63 1.16 -0.08 2.54 2.04 -1.48 -1.65 117.51 120.67 2yu3 h ILE 45 Ca 0.16 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 2yu3 h ILE 45 Cb 0.18 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2yu3 h ILE 45 CO -0.01 0.16 -0.21 0.40 0.00 0.00 0.00 178.15 178.49 2yu3 h ILE 46 N 0.16 1.19 -0.36 -0.67 2.04 -1.25 -2.76 117.51 115.86 2yu3 h ILE 46 Ca 0.06 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.91 2yu3 h ILE 46 Cb 0.18 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2yu3 h ILE 46 CO -0.00 0.27 -0.27 -0.08 0.00 0.00 0.00 178.15 178.06 2yu3 h GLU 47 N 0.12 0.82 -0.12 2.37 4.22 -0.63 -2.94 114.58 118.41 2yu3 h GLU 47 Ca 0.02 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.07 2yu3 h GLU 47 Cb 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2yu3 h GLU 47 CO 0.03 1.03 0.08 0.22 -2.18 0.00 0.00 179.01 178.19 2yu3 h ASP 48 N 0.61 0.13 0.15 1.04 1.82 -1.02 -1.09 116.42 118.05 2yu3 h ASP 48 Ca 0.07 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.66 2yu3 h ASP 48 Cb 0.84 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2yu3 h ASP 48 CO 0.07 0.09 -0.19 0.00 -1.61 0.00 0.00 179.24 177.60 2yu3 h ALA 49 N 1.93 1.58 -0.90 -0.78 0.00 -1.39 -3.47 119.26 116.23 2yu3 h ALA 49 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2yu3 h ALA 49 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2yu3 h ALA 49 CO -0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2yu3 n GLY 50 N -0.88 3.83 0.15 0.00 0.00 -0.42 -1.26 105.19 106.61 2yu3 n GLY 50 Ca -0.02 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.43 1.61 -1.07 -1.91 -3.09 115.58 111.55 2yu3 h ASN 51 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2yu3 h ASN 51 CO 0.00 0.50 -0.22 0.11 0.07 0.00 0.00 177.43 177.89 2yu3 h LYS 52 N 0.00 0.00 -2.89 4.14 1.57 -1.56 -3.49 116.57 114.34 2yu3 h LYS 52 Ca -0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.97 2yu3 h LYS 52 Cb 1.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 2yu3 h LYS 52 CO 0.06 0.22 -0.96 0.41 -0.57 0.00 0.00 179.45 178.62 2yu3 n GLY 53 N -0.53 -3.43 3.27 3.86 0.00 -1.11 -4.95 105.19 102.30 2yu3 n GLY 53 Ca -0.02 -1.07 -0.32 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 -4.40 2.13 0.48 -0.61 2.07 -0.09 -4.86 121.20 115.92 2yu3 s ILE 54 Ca 0.00 -1.03 -0.20 0.00 -1.41 0.00 0.00 60.65 58.00 2yu3 s ILE 54 Cb 0.00 -1.78 -0.09 0.00 0.13 0.00 0.00 42.46 40.72 2yu3 s ILE 54 CO 0.00 0.57 1.03 0.26 -1.91 0.00 0.00 174.94 174.89 2yu3 s TRP 55 N -0.11 3.04 0.57 3.50 0.52 -1.26 -0.80 118.94 124.40 2yu3 s TRP 55 Ca -0.05 1.58 0.27 0.00 0.02 0.00 0.00 56.10 57.93 2yu3 s TRP 55 Cb -0.14 -3.05 1.55 0.00 -1.15 0.00 0.00 33.47 30.68 2yu3 s TRP 55 CO 0.04 -0.75 2.04 1.03 0.02 0.00 0.00 176.95 179.34 2yu3 h SER 56 N 1.63 0.00 1.28 2.95 0.87 -1.41 0.29 113.55 119.16 2yu3 h SER 56 Ca -0.49 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 59.94 2yu3 h SER 56 Cb 1.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2yu3 h SER 56 CO 0.59 0.00 -0.62 -0.09 -0.53 0.00 0.00 176.83 176.19 2yu3 h ARG 57 N 0.00 0.00 0.00 2.24 9.65 -1.91 -2.96 114.38 121.39 2yu3 h ARG 57 Ca 0.14 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2yu3 h ARG 57 Cb 0.70 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.28 2yu3 h ARG 57 CO -0.00 0.62 -0.24 -0.44 2.80 0.00 0.00 179.97 182.71 2yu3 h ASP 58 N 0.00 0.00 -0.22 -3.80 3.32 -0.88 -3.04 116.42 111.80 2yu3 h ASP 58 Ca -0.01 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 56.79 2yu3 h ASP 58 Cb 1.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 2yu3 h ASP 58 CO 0.08 0.79 0.25 1.62 -1.72 0.00 0.00 179.24 180.26 2yu3 h VAL 59 N -1.00 0.42 0.11 -1.35 3.04 -1.23 -0.60 116.25 115.64 2yu3 h VAL 59 Ca -0.04 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 65.40 2yu3 h VAL 59 Cb 0.50 0.79 0.03 0.00 -2.01 0.00 0.00 31.29 30.60 2yu3 h VAL 59 CO -0.02 0.00 -1.04 -0.09 -1.01 0.00 0.00 177.57 175.41 2yu3 h ARG 60 N 0.00 0.51 0.19 4.17 2.43 -1.64 -2.55 114.38 117.49 2yu3 h ARG 60 Ca 0.10 -0.70 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 2yu3 h ARG 60 Cb 0.61 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2yu3 h ARG 60 CO -0.00 1.30 -0.09 -0.92 -1.51 0.00 0.00 179.97 178.75 2yu3 h TYR 61 N 0.05 -0.24 -0.29 2.20 3.20 -1.04 0.20 116.97 121.06 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 1.75 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 40.09 2yu3 h TYR 61 CO 0.14 0.08 0.16 0.87 -1.64 0.00 0.00 178.16 177.77 2yu3 h LYS 62 N -0.57 0.39 0.00 1.82 1.57 -1.38 -1.38 116.57 117.02 2yu3 h LYS 62 Ca -0.03 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 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 0.29 -0.49 1.03 -0.57 0.00 0.00 179.45 179.75 2yu3 h SER 63 N 0.40 0.00 -4.77 0.86 0.87 -1.33 -3.48 113.55 106.10 2yu3 h SER 63 Ca 0.10 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.33 2yu3 h SER 63 Cb 0.01 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.08 2yu3 h SER 63 CO -0.02 0.45 -0.55 -3.20 -0.53 0.00 0.00 176.83 172.98 2yu3 n ASN 64 N -3.19 -5.61 -4.35 6.23 2.85 0.69 -5.01 115.26 106.86 2yu3 n ASN 64 Ca 0.02 -0.40 -0.30 0.00 -0.11 0.00 0.00 54.58 53.78 2yu3 n ASN 64 Cb 0.72 -4.27 -0.15 0.00 1.24 0.00 0.00 39.78 37.32 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu3 s LEU 65 N -6.13 2.20 0.67 1.20 1.43 -1.06 -5.06 118.68 111.93 2yu3 s LEU 65 Ca 0.44 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 2yu3 s LEU 65 Cb -0.19 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.71 2yu3 s LEU 65 CO 0.54 0.27 1.11 -2.16 0.23 0.00 0.00 176.35 176.34 2yu3 s PRO 66 N -1.16 2.73 0.54 1.29 0.04 -1.26 -4.73 135.00 132.45 2yu3 s PRO 66 Ca 0.12 1.36 0.27 0.00 0.04 0.00 0.00 61.00 62.79 2yu3 s PRO 66 Cb -0.10 -1.94 1.43 0.00 0.04 0.00 0.00 34.50 33.93 2yu3 s PRO 66 CO 0.02 -1.30 1.96 1.37 0.04 0.00 0.00 177.00 179.09 2yu3 h LEU 67 N -0.12 0.00 -1.64 -3.56 8.10 -1.98 0.26 115.31 116.37 2yu3 h LEU 67 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.49 2yu3 h LEU 67 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.46 2yu3 h LEU 67 CO 0.54 0.00 -0.19 0.00 -4.11 0.00 0.00 178.44 174.68 2yu3 h THR 68 N 0.00 1.10 0.00 0.15 1.03 -2.00 -0.86 112.91 112.33 2yu3 h THR 68 Ca 0.29 -0.65 -0.05 0.00 -0.01 0.00 0.00 66.41 65.99 2yu3 h THR 68 Cb 1.20 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 69.63 2yu3 h THR 68 CO -0.00 0.18 -0.63 -0.33 -0.01 0.00 0.00 175.52 174.73 2yu3 h GLU 69 N 0.00 0.00 -0.86 0.00 4.39 -0.86 -3.37 114.58 113.88 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 0.34 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 2yu3 h GLU 69 CO 0.02 0.24 0.60 0.82 -1.16 0.00 0.00 179.01 179.54 2yu3 h ILE 70 N -1.00 0.61 -0.71 3.13 1.08 -1.35 0.76 117.51 120.03 2yu3 h ILE 70 Ca -0.08 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.38 2yu3 h ILE 70 Cb 0.66 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2yu3 h ILE 70 CO -0.05 0.02 0.44 0.78 -0.69 0.00 0.00 178.15 178.66 2yu3 h ASN 71 N 0.13 0.72 0.47 1.72 2.35 -1.32 0.24 115.58 119.90 2yu3 h ASN 71 Ca 0.42 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.90 2yu3 h ASN 71 Cb 1.47 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 39.70 2yu3 h ASN 71 CO -0.06 0.50 -1.22 0.50 -1.65 0.00 0.00 177.43 175.50 2yu3 h LYS 72 N 0.86 0.37 0.69 0.81 3.64 -1.06 -3.09 116.57 118.80 2yu3 h LYS 72 Ca 0.28 -0.57 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2yu3 h LYS 72 Cb 0.02 0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2yu3 h LYS 72 CO -0.11 1.25 -0.33 0.82 -2.27 0.00 0.00 179.45 178.80 2yu3 h ILE 73 N 0.14 0.14 -0.68 2.00 2.04 -0.85 0.24 117.51 120.54 2yu3 h ILE 73 Ca -0.15 -0.27 0.18 0.00 1.00 0.00 0.00 64.86 65.63 2yu3 h ILE 73 Cb 1.91 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2yu3 h ILE 73 CO 0.21 0.02 0.48 -0.07 0.00 0.00 0.00 178.15 178.79 2yu3 h LEU 74 N -1.16 0.09 0.00 1.44 3.38 -0.67 0.25 115.31 118.65 2yu3 h LEU 74 Ca -0.09 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 2yu3 h LEU 74 Cb 0.74 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2yu3 h LEU 74 CO 0.16 0.05 -0.92 0.50 0.09 0.00 0.00 178.44 178.31 2yu3 h LYS 75 N 0.10 0.00 0.66 1.13 1.63 -1.43 -3.23 116.57 115.43 2yu3 h LYS 75 Ca 0.33 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.10 2yu3 h LYS 75 Cb 1.16 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.80 2yu3 h LYS 75 CO -0.03 0.67 -0.32 -0.97 -3.45 0.00 0.00 179.45 175.35 2yu3 h ASN 76 N 0.00 -0.75 -0.97 4.20 -0.73 0.30 -2.73 115.58 114.90 2yu3 h ASN 76 Ca -0.05 0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.33 2yu3 h ASN 76 Cb 1.62 0.19 -0.09 0.00 0.27 0.00 0.00 38.32 40.31 2yu3 h ASN 76 CO 0.09 -0.40 0.61 -0.07 -0.37 0.00 0.00 177.43 177.29 2yu3 h LEU 77 N -1.16 0.67 0.37 0.34 3.38 -1.57 -1.77 115.31 115.57 2yu3 h LEU 77 Ca -0.09 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2yu3 h LEU 77 Cb 0.68 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2yu3 h LEU 77 CO 0.15 0.26 -0.36 -0.08 0.09 0.00 0.00 178.44 178.50 2yu3 h GLU 78 N 0.67 -0.72 -0.77 1.13 4.22 -1.56 -2.03 114.58 115.51 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 0.95 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2yu3 h GLU 78 CO -0.29 -0.48 0.51 1.03 -2.18 0.00 0.00 179.01 177.59 2yu3 h SER 79 N -0.75 0.67 0.52 1.04 0.87 -1.03 0.24 113.55 115.11 2yu3 h SER 79 Ca -0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2yu3 h SER 79 Cb 0.67 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2yu3 h SER 79 CO -0.06 0.41 0.00 0.29 -0.53 0.00 0.00 176.83 176.95 2yu3 n LYS 80 N -4.50 0.11 -2.79 2.24 5.02 -0.78 -4.86 118.16 112.62 2yu3 n LYS 80 Ca 0.12 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.63 2yu3 n LYS 80 Cb 0.28 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.96 -3.60 -0.06 1.97 4.81 0.83 -4.90 118.16 115.26 2yu3 n LYS 81 Ca 0.02 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.21 2yu3 n LYS 81 Cb 0.17 -5.29 -0.16 0.00 0.02 0.00 0.00 35.03 29.77 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2yu3 n LEU 82 N -3.22 0.06 -4.62 3.14 4.77 -1.06 -4.97 117.00 111.10 2yu3 n LEU 82 Ca -0.11 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 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 1.40 -0.07 -0.08 -4.36 -1.25 -0.98 121.20 112.95 2yu3 s ILE 83 Ca -0.09 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.28 2yu3 s ILE 83 Cb 0.09 -2.61 0.03 0.00 1.25 0.00 0.00 42.46 41.23 2yu3 s ILE 83 CO 0.86 0.00 0.03 -1.59 0.24 0.00 0.00 174.94 174.48 2yu3 s LYS 84 N -3.80 0.30 0.32 0.37 -2.85 0.67 -4.66 119.74 110.09 2yu3 s LYS 84 Ca 0.24 0.17 -0.27 0.00 -1.00 0.00 0.00 55.97 55.10 2yu3 s LYS 84 Cb 0.06 -0.93 -0.09 0.00 -2.06 0.00 0.00 37.83 34.81 2yu3 s LYS 84 CO 0.12 -0.36 1.05 0.00 0.10 0.00 0.00 175.35 176.26 2yu3 s ALA 85 N 2.06 3.28 -0.15 0.59 0.00 -1.26 -2.47 121.76 123.80 2yu3 s ALA 85 Ca 0.04 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 2yu3 s ALA 85 Cb -0.13 -3.28 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 -1.36 0.95 0.24 0.00 -7.23 -0.90 -4.95 120.40 107.15 2yu3 s VAL 86 Ca 0.49 -0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 59.98 2yu3 s VAL 86 Cb -0.27 -1.12 -0.09 0.00 0.56 0.00 0.00 36.38 35.46 2yu3 s VAL 86 CO 0.34 0.16 0.78 -0.75 -0.31 0.00 0.00 175.10 175.33 2yu3 s LYS 87 N 1.71 4.35 0.24 4.82 2.20 -1.26 -2.55 119.74 129.25 2yu3 s LYS 87 Ca 0.02 1.00 -0.17 0.00 -0.36 0.00 0.00 55.97 56.46 2yu3 s LYS 87 Cb -0.14 -2.88 -0.08 0.00 -1.51 0.00 0.00 37.83 33.21 2yu3 s LYS 87 CO -0.08 0.38 0.71 -1.54 -0.36 0.00 0.00 175.35 174.46 2yu3 s SER 88 N -1.61 6.94 -0.47 1.43 1.04 -1.26 -4.96 113.70 114.82 2yu3 s SER 88 Ca 0.44 1.33 -0.20 0.00 0.48 0.00 0.00 55.95 58.00 2yu3 s SER 88 Cb -0.18 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.59 2yu3 s SER 88 CO 0.22 -0.03 0.64 -0.69 0.98 0.00 0.00 173.24 174.36 2yu3 s VAL 89 N -1.66 4.83 -0.36 5.02 1.01 -1.26 -4.82 120.40 123.16 2yu3 s VAL 89 Ca 0.46 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.39 2yu3 s VAL 89 Cb -0.14 -4.24 0.25 0.00 0.00 0.00 0.00 36.38 32.24 2yu3 s VAL 89 CO 0.20 -0.68 1.23 -0.24 0.00 0.00 0.00 175.10 175.60 2yu3 n SER 90 N 6.26 -1.58 0.00 3.32 2.88 -1.26 -5.15 113.62 118.09 2yu3 n SER 90 Ca -0.03 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 2yu3 n SER 90 Cb 0.47 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu3 n GLY 91 N -0.54 0.88 3.61 0.46 0.00 -1.26 -5.10 105.19 103.24 2yu3 n GLY 91 Ca -0.13 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 2yu3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu3 s PRO 92 N -2.00 3.56 0.50 1.61 0.04 -1.26 -5.00 135.00 132.46 2yu3 s PRO 92 Ca 0.00 1.46 0.05 0.00 0.04 0.00 0.00 61.00 62.54 2yu3 s PRO 92 Cb 0.00 -4.10 0.05 0.00 0.04 0.00 0.00 34.50 30.48 2yu3 s PRO 92 CO 0.00 -1.58 0.38 0.45 0.04 0.00 0.00 177.00 176.29 2yu3 n SER 93 N 9.29 2.57 -3.54 6.66 2.88 -1.26 -4.75 113.62 125.48 2yu3 n SER 93 Ca 0.20 -2.70 -0.20 0.00 -1.33 0.00 0.00 58.87 54.84 2yu3 n SER 93 Cb 0.46 -0.04 0.07 0.00 -0.75 0.00 0.00 64.21 63.95 2yu3 n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yu3 n SER 94 N -1.86 -3.02 0.00 -3.46 2.88 -1.26 -5.27 113.62 101.63 2yu3 n SER 94 Ca -0.02 -0.65 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 2yu3 n SER 94 Cb 0.56 -4.86 0.00 0.00 -0.75 0.00 0.00 64.21 59.17 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42