#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn5 n SER 2 N 0.00 -5.57 -4.00 1.61 2.88 -1.26 -5.05 113.62 102.23 2dn5 n SER 2 Ca 0.00 0.99 -0.17 0.00 -1.33 0.00 0.00 58.87 58.36 2dn5 n SER 2 Cb 0.00 -4.00 -0.14 0.00 -0.75 0.00 0.00 64.21 59.32 2dn5 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dn5 s SER 3 N -1.05 0.89 0.00 -3.46 0.15 -1.26 -5.07 113.70 103.90 2dn5 s SER 3 Ca -0.02 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2dn5 s SER 3 Cb 0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2dn5 s SER 3 CO 0.54 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.67 2dn5 n GLY 4 N 2.80 -0.06 3.65 9.45 0.00 -1.26 -5.10 105.19 114.67 2dn5 n GLY 4 Ca -0.14 -0.54 -0.53 0.00 0.00 0.00 0.00 46.02 44.81 2dn5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn5 n SER 5 N 0.00 2.25 0.11 1.61 7.64 -1.26 -4.55 113.62 119.43 2dn5 n SER 5 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2dn5 n SER 5 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 2dn5 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dn5 n SER 6 N 4.10 -1.98 0.00 6.43 3.41 -1.26 -5.05 113.62 119.27 2dn5 n SER 6 Ca 0.22 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2dn5 n SER 6 Cb 0.19 2.06 0.00 0.00 -0.26 0.00 0.00 64.21 66.19 2dn5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn5 n GLY 7 N -1.32 0.83 0.32 5.00 0.00 -1.26 -4.23 105.19 104.51 2dn5 n GLY 7 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2dn5 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dn5 h LEU 8 N 0.00 0.42 -0.05 0.99 3.38 -1.97 0.13 115.31 118.20 2dn5 h LEU 8 Ca 0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2dn5 h LEU 8 Cb 0.00 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 2dn5 h LEU 8 CO 0.00 0.04 -0.18 -0.09 0.09 0.00 0.00 178.44 178.31 2dn5 h ARG 9 N 0.46 -0.25 -0.07 1.13 2.43 -1.93 0.24 114.38 116.39 2dn5 h ARG 9 Ca 0.56 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.77 2dn5 h ARG 9 Cb 1.04 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 2dn5 h ARG 9 CO -0.50 -0.17 0.09 0.93 -1.51 0.00 0.00 179.97 178.81 2dn5 h GLU 10 N -0.26 0.00 0.11 0.20 4.39 -1.15 0.40 114.58 118.27 2dn5 h GLU 10 Ca 0.07 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.51 2dn5 h GLU 10 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2dn5 h GLU 10 CO -0.21 0.00 -1.21 1.96 -1.16 0.00 0.00 179.01 178.39 2dn5 h GLN 11 N 0.00 0.23 0.02 2.33 4.20 0.39 -3.00 115.11 119.28 2dn5 h GLN 11 Ca 0.03 -0.40 -0.21 0.00 0.06 0.00 0.00 58.65 58.13 2dn5 h GLN 11 Cb 0.20 0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.15 2dn5 h GLN 11 CO -0.00 1.19 -0.84 0.28 -0.67 0.00 0.00 178.83 178.79 2dn5 h VAL 12 N 0.06 1.36 -0.08 -0.54 2.07 0.17 -2.25 116.25 117.04 2dn5 h VAL 12 Ca -0.12 -2.20 0.04 0.00 0.82 0.00 0.00 66.70 65.25 2dn5 h VAL 12 Cb 1.94 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 34.20 2dn5 h VAL 12 CO 0.19 0.66 -0.25 0.11 0.02 0.00 0.00 177.57 178.30 2dn5 h LYS 13 N 0.12 -0.33 -0.19 1.57 1.57 -0.42 0.85 116.57 119.73 2dn5 h LYS 13 Ca -0.11 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2dn5 h LYS 13 Cb 1.53 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 2dn5 h LYS 13 CO 0.17 -0.22 -0.00 0.93 -0.57 0.00 0.00 179.45 179.75 2dn5 h GLU 14 N -0.34 0.27 0.10 3.15 5.08 -1.60 -0.90 114.58 120.34 2dn5 h GLU 14 Ca 0.09 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2dn5 h GLU 14 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2dn5 h GLU 14 CO -0.28 0.30 -0.05 1.25 -1.00 0.00 0.00 179.01 179.23 2dn5 h LEU 15 N 0.27 -0.11 -1.40 1.33 5.85 -0.34 1.48 115.31 122.37 2dn5 h LEU 15 Ca 0.06 0.00 0.22 0.00 0.84 0.00 0.00 57.88 59.01 2dn5 h LEU 15 Cb 0.19 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 2dn5 h LEU 15 CO 0.00 -0.08 0.63 -0.26 -0.34 0.00 0.00 178.44 178.39 2dn5 h PHE 16 N -0.14 0.64 -0.29 1.25 0.04 -0.88 0.38 116.94 117.95 2dn5 h PHE 16 Ca -0.01 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2dn5 h PHE 16 Cb 0.10 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 2dn5 h PHE 16 CO 0.20 0.13 -0.46 -0.91 -0.60 0.00 0.00 178.31 176.67 2dn5 h ASN 17 N 0.45 0.90 -0.19 2.17 4.21 -0.97 -2.07 115.58 120.07 2dn5 h ASN 17 Ca 0.53 -0.52 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 2dn5 h ASN 17 Cb 1.26 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 2dn5 h ASN 17 CO -0.24 1.25 0.11 -0.33 -1.29 0.00 0.00 177.43 176.93 2dn5 h GLU 18 N 0.59 0.27 0.04 0.81 4.39 0.59 -0.19 114.58 121.08 2dn5 h GLU 18 Ca 0.02 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2dn5 h GLU 18 Cb 1.07 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 2dn5 h GLU 18 CO 0.11 0.25 -0.15 0.87 -1.16 0.00 0.00 179.01 178.92 2dn5 h LYS 19 N 0.21 -0.27 -0.64 2.33 1.79 -0.73 -1.90 116.57 117.36 2dn5 h LYS 19 Ca 0.07 0.02 0.13 0.00 -2.18 0.00 0.00 60.65 58.69 2dn5 h LYS 19 Cb 0.06 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 30.65 2dn5 h LYS 19 CO -0.01 -0.18 -0.15 -0.92 -1.08 0.00 0.00 179.45 177.11 2dn5 h TYR 20 N -0.28 -0.32 0.29 -1.35 3.20 -1.17 0.54 116.97 117.89 2dn5 h TYR 20 Ca 0.04 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2dn5 h TYR 20 Cb 0.32 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2dn5 h TYR 20 CO -0.19 -0.27 -0.43 0.78 -1.64 0.00 0.00 178.16 176.42 2dn5 h GLY 21 N 0.01 -0.96 0.65 1.82 0.00 -0.81 0.73 103.07 104.50 2dn5 h GLY 21 Ca 0.31 0.50 0.08 0.00 0.00 0.00 0.00 47.33 48.23 2dn5 h GLY 21 CO -0.65 -0.31 0.64 0.83 0.00 0.00 0.00 176.54 177.06 2dn5 h GLU 22 N -0.78 1.09 -0.56 4.80 5.08 -0.53 0.35 114.58 124.03 2dn5 h GLU 22 Ca -0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2dn5 h GLU 22 Cb 0.73 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2dn5 h GLU 22 CO -0.15 0.72 0.07 0.00 -1.00 0.00 0.00 179.01 178.66 2dn5 h ALA 23 N 1.48 1.07 0.00 3.43 0.00 0.82 -0.21 119.26 125.84 2dn5 h ALA 23 Ca 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2dn5 h ALA 23 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dn5 h ALA 23 CO -0.20 0.60 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2dn5 n LEU 24 N -4.23 0.00 0.00 0.00 4.77 0.25 -4.59 117.00 113.20 2dn5 n LEU 24 Ca 0.04 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2dn5 n LEU 24 Cb 0.28 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2dn5 n LEU 24 CO 0.42 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2dn5 n GLY 25 N 0.08 0.53 1.60 -0.72 0.00 -0.09 -5.04 105.19 101.55 2dn5 n GLY 25 Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2dn5 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn5 n LEU 26 N 0.00 0.00 -0.23 0.99 4.77 -0.31 -4.99 117.00 117.23 2dn5 n LEU 26 Ca 0.00 -0.83 0.08 0.00 -0.03 0.00 0.00 56.01 55.23 2dn5 n LEU 26 Cb 0.00 -0.29 0.12 0.00 -2.33 0.00 0.00 43.42 40.92 2dn5 n LEU 26 CO 0.00 -0.73 0.48 -3.20 -1.33 0.00 0.00 177.39 172.61 2dn5 n ASN 27 N -3.03 1.85 -3.99 -1.43 5.15 -1.26 -4.27 115.26 108.28 2dn5 n ASN 27 Ca 0.07 -2.96 -0.09 0.00 -0.60 0.00 0.00 54.58 51.00 2dn5 n ASN 27 Cb 0.24 -0.40 -0.11 0.00 -0.53 0.00 0.00 39.78 38.99 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dn5 s ARG 28 N -2.35 0.36 0.08 1.20 1.70 -1.26 -5.05 118.95 113.62 2dn5 s ARG 28 Ca 0.27 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 2dn5 s ARG 28 Cb 0.24 0.13 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 2dn5 s ARG 28 CO 0.01 -0.06 1.16 -1.25 -1.08 0.00 0.00 175.30 174.08 2dn5 s PRO 29 N -1.80 4.47 -0.00 3.89 0.04 -1.26 -4.07 135.00 136.27 2dn5 s PRO 29 Ca -0.13 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.70 2dn5 s PRO 29 Cb -0.07 -3.35 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2dn5 s PRO 29 CO -0.02 -0.18 -0.20 0.08 0.04 0.00 0.00 177.00 176.73 2dn5 s VAL 30 N 0.82 1.55 0.97 -0.36 1.01 -0.16 -4.89 120.40 119.34 2dn5 s VAL 30 Ca 0.56 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2dn5 s VAL 30 Cb -0.29 -1.30 0.14 0.00 0.00 0.00 0.00 36.38 34.93 2dn5 s VAL 30 CO 0.30 0.37 0.91 0.18 0.00 0.00 0.00 175.10 176.87 2dn5 n LEU 31 N 2.42 1.70 -4.38 3.92 4.77 -1.26 -4.14 117.00 120.03 2dn5 n LEU 31 Ca -0.16 0.31 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 2dn5 n LEU 31 Cb 0.53 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.12 2dn5 n LEU 31 CO 0.24 -2.69 -0.34 -0.69 -1.33 0.00 0.00 177.39 172.58 2dn5 s VAL 32 N -2.54 3.79 -1.19 4.08 1.01 -1.26 -4.94 120.40 119.35 2dn5 s VAL 32 Ca 0.64 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 2dn5 s VAL 32 Cb -0.22 -2.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 2dn5 s VAL 32 CO 0.61 0.39 2.38 -0.81 0.00 0.00 0.00 175.10 177.67 2dn5 n PRO 33 N 4.80 2.62 -0.28 2.72 -0.04 -1.26 -4.69 135.00 138.88 2dn5 n PRO 33 Ca -0.17 -1.88 0.05 0.00 -0.04 0.00 0.00 63.50 61.46 2dn5 n PRO 33 Cb 0.51 -2.72 0.14 0.00 -0.04 0.00 0.00 33.50 31.39 2dn5 n PRO 33 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2dn5 h TYR 34 N 6.06 -0.25 -0.85 0.54 0.05 -1.97 0.54 116.97 121.09 2dn5 h TYR 34 Ca 0.62 0.07 0.21 0.00 0.05 0.00 0.00 58.73 59.68 2dn5 h TYR 34 Cb 0.32 0.24 -0.15 0.00 1.01 0.00 0.00 36.73 38.15 2dn5 h TYR 34 CO 1.79 -0.32 0.08 0.87 -1.05 0.00 0.00 178.16 179.53 2dn5 h LYS 35 N 0.04 0.12 0.17 4.88 1.57 -1.99 1.38 116.57 122.73 2dn5 h LYS 35 Ca 0.42 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2dn5 h LYS 35 Cb 0.71 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2dn5 h LYS 35 CO -0.78 0.08 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.02 2dn5 h LEU 36 N 0.12 -0.19 -1.81 2.94 3.38 -0.36 -2.55 115.31 116.84 2dn5 h LEU 36 Ca 0.50 0.01 0.50 0.00 0.09 0.00 0.00 57.88 58.97 2dn5 h LEU 36 Cb 0.95 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2dn5 h LEU 36 CO -0.72 -0.08 1.16 0.40 0.09 0.00 0.00 178.44 179.29 2dn5 h ILE 37 N -0.34 0.10 0.70 1.22 2.04 -0.45 1.60 117.51 122.38 2dn5 h ILE 37 Ca -0.02 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2dn5 h ILE 37 Cb 0.17 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 2dn5 h ILE 37 CO 0.04 0.00 -0.33 -0.09 0.00 0.00 0.00 178.15 177.77 2dn5 h ARG 38 N 0.02 -0.90 0.00 2.37 9.65 0.20 -2.88 114.38 122.84 2dn5 h ARG 38 Ca 0.85 0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 59.69 2dn5 h ARG 38 Cb 3.19 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 31.96 2dn5 h ARG 38 CO -0.14 -0.57 -0.51 -0.44 2.80 0.00 0.00 179.97 181.11 2dn5 h ASP 39 N -1.06 0.00 -3.85 -3.80 3.32 0.68 -3.38 116.42 108.34 2dn5 h ASP 39 Ca -0.10 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.28 2dn5 h ASP 39 Cb 0.74 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.92 2dn5 h ASP 39 CO 0.16 0.51 -0.59 -0.55 -1.72 0.00 0.00 179.24 177.04 2dn5 s SER 40 N -6.65 4.90 0.42 6.45 0.15 0.48 -4.92 113.70 114.53 2dn5 s SER 40 Ca -0.01 -2.42 0.27 0.00 0.70 0.00 0.00 55.95 54.50 2dn5 s SER 40 Cb 0.12 -1.73 0.87 0.00 -1.71 0.00 0.00 66.02 63.57 2dn5 s SER 40 CO 0.73 -0.40 1.79 1.55 1.20 0.00 0.00 173.24 178.11 2dn5 h PRO 41 N 7.41 0.00 -2.01 5.44 0.13 -1.70 -3.23 132.00 138.05 2dn5 h PRO 41 Ca -0.07 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.32 2dn5 h PRO 41 Cb 0.99 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.82 2dn5 h PRO 41 CO 0.64 0.00 0.66 -3.47 -0.23 0.00 0.00 178.00 175.60 2dn5 n ASP 42 N -2.84 6.83 0.02 1.44 2.03 -1.26 -4.46 116.55 118.31 2dn5 n ASP 42 Ca 0.03 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.57 2dn5 n ASP 42 Cb 0.39 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dn5 n ALA 43 N -0.39 3.00 -2.85 -1.67 0.00 -1.22 -3.90 120.51 113.49 2dn5 n ALA 43 Ca 0.48 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.79 2dn5 n ALA 43 Cb 0.32 0.38 -0.14 0.00 0.00 0.00 0.00 19.45 20.00 2dn5 n ALA 43 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dn5 s VAL 44 N -2.00 0.13 -0.17 0.00 1.01 -1.26 -0.68 120.40 117.42 2dn5 s VAL 44 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 2dn5 s VAL 44 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2dn5 s VAL 44 CO 0.00 0.04 0.13 -0.70 0.00 0.00 0.00 175.10 174.57 2dn5 s GLU 45 N -0.02 3.90 -0.13 2.72 -6.30 0.51 -4.82 118.70 114.56 2dn5 s GLU 45 Ca 0.00 -0.19 0.03 0.00 -2.50 0.00 0.00 54.97 52.31 2dn5 s GLU 45 Cb -0.01 -3.33 0.01 0.00 0.00 0.00 0.00 34.13 30.80 2dn5 s GLU 45 CO -0.00 0.48 -0.22 0.08 0.02 0.00 0.00 175.26 175.62 2dn5 s VAL 46 N -0.16 2.13 0.24 3.70 1.01 -1.26 0.38 120.40 126.43 2dn5 s VAL 46 Ca 0.10 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2dn5 s VAL 46 Cb -0.11 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2dn5 s VAL 46 CO 0.00 0.55 0.25 0.42 0.00 0.00 0.00 175.10 176.32 2dn5 s THR 47 N 0.66 0.00 0.00 3.92 -4.23 0.10 -4.87 115.64 111.23 2dn5 s THR 47 Ca -0.11 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2dn5 s THR 47 Cb -0.16 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2dn5 s THR 47 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2dn5 n GLY 48 N -0.36 2.99 3.13 3.99 0.00 -1.26 0.19 105.19 113.87 2dn5 n GLY 48 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2dn5 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn5 n LEU 49 N 0.00 -3.42 -4.80 0.99 4.77 -1.26 -3.98 117.00 109.30 2dn5 n LEU 49 Ca 0.00 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.75 2dn5 n LEU 49 Cb 0.00 -0.82 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 2dn5 n LEU 49 CO 0.00 -4.12 0.72 -2.16 -1.33 0.00 0.00 177.39 170.50 2dn5 s PRO 50 N -2.58 3.84 0.44 3.23 0.04 -1.26 -4.95 135.00 133.77 2dn5 s PRO 50 Ca 0.45 1.37 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 2dn5 s PRO 50 Cb -0.10 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 2dn5 s PRO 50 CO 0.72 -0.40 1.30 0.16 0.04 0.00 0.00 177.00 178.83 2dn5 s ASP 51 N -1.94 6.07 -0.85 6.66 -4.77 -1.26 -2.46 116.67 118.11 2dn5 s ASP 51 Ca 0.66 2.65 -0.00 0.00 -3.30 0.00 0.00 52.55 52.56 2dn5 s ASP 51 Cb -0.17 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 2dn5 s ASP 51 CO 0.20 -1.02 0.06 -0.67 0.70 0.00 0.00 175.17 174.44 2dn5 n ASP 52 N -0.20 -3.48 -3.62 2.11 2.03 -1.26 -5.01 116.55 107.13 2dn5 n ASP 52 Ca 0.05 -0.03 -0.11 0.00 0.52 0.00 0.00 54.79 55.22 2dn5 n ASP 52 Cb 0.44 -2.67 -0.11 0.00 -0.72 0.00 0.00 41.12 38.06 2dn5 n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2dn5 s ILE 53 N -2.57 -0.52 0.00 5.18 1.01 -1.03 -5.10 121.20 118.17 2dn5 s ILE 53 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2dn5 s ILE 53 Cb -0.01 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2dn5 s ILE 53 CO 0.04 0.06 0.00 -0.81 0.00 0.00 0.00 174.94 174.22 2dn5 n PRO 54 N 5.37 0.56 -3.74 2.79 -0.04 -1.26 -4.58 135.00 134.09 2dn5 n PRO 54 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2dn5 n PRO 54 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 2dn5 n PRO 54 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2dn5 s PHE 55 N -0.29 2.03 0.31 0.54 5.36 -1.26 -4.94 117.98 119.73 2dn5 s PHE 55 Ca 0.00 -2.23 0.05 0.00 -0.96 0.00 0.00 56.93 53.79 2dn5 s PHE 55 Cb 0.00 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2dn5 s PHE 55 CO 0.00 -0.83 0.27 1.03 -1.46 0.00 0.00 175.22 174.23 2dn5 s ARG 56 N 0.84 1.66 0.10 10.12 0.52 -1.26 -5.07 118.95 125.87 2dn5 s ARG 56 Ca 0.14 -1.91 -0.33 0.00 -0.52 0.00 0.00 55.73 53.11 2dn5 s ARG 56 Cb -0.22 0.33 -0.18 0.00 0.52 0.00 0.00 34.95 35.40 2dn5 s ARG 56 CO -0.09 -0.61 0.78 -1.71 0.02 0.00 0.00 175.30 173.68 2dn5 n ASN 57 N -1.28 -0.63 0.00 0.23 2.85 -1.26 -4.78 115.26 110.38 2dn5 n ASN 57 Ca 0.06 1.13 0.11 0.00 -0.11 0.00 0.00 54.58 55.76 2dn5 n ASN 57 Cb 0.63 -0.92 0.49 0.00 1.24 0.00 0.00 39.78 41.22 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2dn5 n PRO 58 N 1.23 0.08 -2.56 1.20 -0.04 -1.26 -4.10 135.00 129.54 2dn5 n PRO 58 Ca 0.19 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 2dn5 n PRO 58 Cb 0.16 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.13 2dn5 n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dn5 n ASN 59 N -1.45 5.41 0.00 3.54 3.02 -1.26 -3.74 115.26 120.78 2dn5 n ASN 59 Ca 0.07 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 2dn5 n ASN 59 Cb 0.24 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2dn5 n THR 60 N 2.98 0.00 -0.62 3.41 5.66 -1.26 -5.04 114.28 119.42 2dn5 n THR 60 Ca 0.36 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.07 2dn5 n THR 60 Cb 0.36 0.00 0.17 0.00 -1.55 0.00 0.00 70.33 69.31 2dn5 n THR 60 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2dn5 n TYR 61 N 0.00 -1.75 -4.13 1.09 4.01 -1.25 -5.03 117.16 110.11 2dn5 n TYR 61 Ca 0.00 0.06 -0.24 0.00 -0.16 0.00 0.00 57.90 57.56 2dn5 n TYR 61 Cb 0.00 -1.50 -0.07 0.00 -0.31 0.00 0.00 39.34 37.46 2dn5 n TYR 61 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dn5 s ASP 62 N -1.91 4.45 0.36 7.72 1.01 -1.26 -4.86 116.67 122.18 2dn5 s ASP 62 Ca 0.51 -1.02 0.18 0.00 0.71 0.00 0.00 52.55 52.94 2dn5 s ASP 62 Cb -0.10 -0.52 1.19 0.00 1.01 0.00 0.00 42.92 44.50 2dn5 s ASP 62 CO 0.58 -0.48 1.65 -0.29 0.21 0.00 0.00 175.17 176.84 2dn5 h ILE 63 N 1.47 0.23 0.00 0.77 2.10 -1.97 0.99 117.51 121.11 2dn5 h ILE 63 Ca -0.43 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.43 2dn5 h ILE 63 Cb 1.25 -0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 2dn5 h ILE 63 CO 0.68 0.04 0.00 1.41 -1.08 0.00 0.00 178.15 179.21 2dn5 n HIS 64 N -5.01 0.00 -0.26 2.19 8.25 -1.26 -0.17 115.22 118.96 2dn5 n HIS 64 Ca 0.33 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.85 2dn5 n HIS 64 Cb 1.10 -0.36 0.17 0.00 1.12 0.00 0.00 29.99 32.02 2dn5 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dn5 h ARG 65 N 0.00 0.11 -0.66 -0.41 3.08 -1.66 1.47 114.38 116.31 2dn5 h ARG 65 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 2dn5 h ARG 65 Cb 0.00 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 2dn5 h ARG 65 CO 0.00 0.08 0.34 -0.07 -1.07 0.00 0.00 179.97 179.24 2dn5 h LEU 66 N 0.12 0.45 0.15 3.04 3.38 0.95 0.49 115.31 123.89 2dn5 h LEU 66 Ca 0.43 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2dn5 h LEU 66 Cb 0.77 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dn5 h LEU 66 CO -0.66 0.28 -0.07 -0.33 0.09 0.00 0.00 178.44 177.74 2dn5 h GLU 67 N 0.60 -0.19 -0.20 1.13 4.39 0.35 -1.64 114.58 119.01 2dn5 h GLU 67 Ca 0.32 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.08 2dn5 h GLU 67 Cb 0.29 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 2dn5 h GLU 67 CO -0.23 0.24 -0.44 0.87 -1.16 0.00 0.00 179.01 178.29 2dn5 h LYS 68 N -0.74 -0.45 -0.98 2.33 1.57 0.21 1.53 116.57 120.03 2dn5 h LYS 68 Ca -0.02 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 2dn5 h LYS 68 Cb 0.52 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.85 2dn5 h LYS 68 CO 0.03 -0.30 0.62 0.82 -0.57 0.00 0.00 179.45 180.05 2dn5 h ILE 69 N -0.47 0.85 -0.22 1.86 2.04 -0.10 0.42 117.51 121.88 2dn5 h ILE 69 Ca 0.08 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 2dn5 h ILE 69 Cb 0.63 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2dn5 h ILE 69 CO -0.45 0.16 -0.33 -0.07 0.00 0.00 0.00 178.15 177.47 2dn5 h LEU 70 N 0.87 0.48 -1.45 1.44 3.38 0.45 0.13 115.31 120.61 2dn5 h LEU 70 Ca 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2dn5 h LEU 70 Cb 0.65 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dn5 h LEU 70 CO -0.28 0.78 -0.06 0.11 0.09 0.00 0.00 178.44 179.07 2dn5 h LYS 71 N 0.40 0.00 -0.13 1.13 1.57 0.62 -2.28 116.57 117.88 2dn5 h LYS 71 Ca 0.05 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2dn5 h LYS 71 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 2dn5 h LYS 71 CO 0.06 0.06 -0.18 0.00 -0.57 0.00 0.00 179.45 178.82 2dn5 n ALA 72 N -2.14 3.36 0.01 3.86 0.00 0.16 -4.67 120.51 121.09 2dn5 n ALA 72 Ca 0.00 -2.94 0.02 0.00 0.00 0.00 0.00 53.44 50.52 2dn5 n ALA 72 Cb 0.32 -0.51 0.36 0.00 0.00 0.00 0.00 19.45 19.63 2dn5 n ALA 72 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dn5 h ARG 73 N 0.84 0.51 0.00 0.00 0.11 -0.16 0.76 114.38 116.45 2dn5 h ARG 73 Ca 0.06 -0.07 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 2dn5 h ARG 73 Cb 1.24 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 2dn5 h ARG 73 CO 0.13 0.45 -0.67 0.93 0.10 0.00 0.00 179.97 180.91 2dn5 h GLU 74 N 0.51 0.00 0.22 0.08 5.08 -1.83 -3.27 114.58 115.37 2dn5 h GLU 74 Ca 0.12 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.19 2dn5 h GLU 74 Cb 0.15 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.43 2dn5 h GLU 74 CO -0.01 0.67 -1.30 0.45 -1.00 0.00 0.00 179.01 177.82 2dn5 h HIS 75 N 0.00 0.86 -1.53 4.33 3.86 -1.56 -3.45 115.15 117.65 2dn5 h HIS 75 Ca -0.01 -0.62 -0.72 0.00 -1.16 0.00 0.00 60.37 57.86 2dn5 h HIS 75 Cb 1.48 -0.03 0.04 0.00 1.06 0.00 0.00 27.41 29.96 2dn5 h HIS 75 CO 0.00 1.50 0.52 0.28 0.86 0.00 0.00 177.93 181.09 2dn5 n VAL 76 N -3.83 0.07 -3.87 2.45 0.31 0.26 -4.19 118.33 109.53 2dn5 n VAL 76 Ca -0.16 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 2dn5 n VAL 76 Cb 1.02 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 33.01 2dn5 n VAL 76 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2dn5 s ARG 77 N 1.27 0.02 -0.04 5.55 6.06 0.50 -4.91 118.95 127.41 2dn5 s ARG 77 Ca 0.90 0.03 0.03 0.00 -2.50 0.00 0.00 55.73 54.18 2dn5 s ARG 77 Cb -1.05 -0.08 -0.03 0.00 0.06 0.00 0.00 34.95 33.86 2dn5 s ARG 77 CO 0.54 -0.03 -0.12 -1.64 -2.50 0.00 0.00 175.30 171.56 2dn5 s MET 78 N 0.21 2.55 -0.09 5.12 -1.94 -1.26 0.01 119.30 123.91 2dn5 s MET 78 Ca -0.02 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.28 2dn5 s MET 78 Cb -0.03 -2.44 0.03 0.00 2.01 0.00 0.00 34.83 34.40 2dn5 s MET 78 CO -0.01 0.63 -0.03 0.08 -0.01 0.00 0.00 175.02 175.68 2dn5 s VAL 79 N -0.79 0.65 -0.40 -6.03 1.01 0.16 -4.57 120.40 110.42 2dn5 s VAL 79 Ca 0.12 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 2dn5 s VAL 79 Cb -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2dn5 s VAL 79 CO 0.02 0.30 1.73 -0.63 0.00 0.00 0.00 175.10 176.52 2dn5 s ILE 80 N 1.83 3.54 -0.08 2.22 -1.09 -1.26 0.19 121.20 126.55 2dn5 s ILE 80 Ca 0.04 0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.87 2dn5 s ILE 80 Cb -0.12 -3.82 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 2dn5 s ILE 80 CO -0.06 -0.59 0.41 0.40 -1.23 0.00 0.00 174.94 173.87 2dn5 h ILE 81 N 6.75 0.44 -2.80 2.92 1.08 -1.45 -3.44 117.51 121.01 2dn5 h ILE 81 Ca -0.31 -1.15 -0.56 0.00 -0.39 0.00 0.00 64.86 62.45 2dn5 h ILE 81 Cb 1.15 0.79 -0.40 0.00 -3.07 0.00 0.00 36.82 35.30 2dn5 h ILE 81 CO 1.08 0.14 -0.79 0.21 -0.69 0.00 0.00 178.15 178.09 2dn5 s ASN 82 N -5.51 3.44 0.09 1.72 3.84 0.14 -4.96 114.94 113.70 2dn5 s ASN 82 Ca -0.07 -1.75 -0.33 0.00 0.21 0.00 0.00 52.86 50.91 2dn5 s ASN 82 Cb -0.00 -0.51 -0.18 0.00 -0.55 0.00 0.00 41.25 40.01 2dn5 s ASN 82 CO 0.25 -0.38 0.79 1.67 -2.79 0.00 0.00 177.10 176.64 2dn5 n GLN 83 N 4.65 0.00 -3.15 0.43 7.27 -1.26 -4.61 117.38 120.70 2dn5 n GLN 83 Ca 0.02 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.15 2dn5 n GLN 83 Cb 0.40 -1.23 -0.01 0.00 2.41 0.00 0.00 30.24 31.81 2dn5 n GLN 83 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2dn5 s SER 84 N -0.43 -0.01 0.00 1.69 1.04 -1.26 -5.10 113.70 109.62 2dn5 s SER 84 Ca 0.76 0.00 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2dn5 s SER 84 Cb -1.07 1.01 0.00 0.00 0.10 0.00 0.00 66.02 66.05 2dn5 s SER 84 CO 0.54 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.37 2dn5 n GLY 85 N 5.35 3.11 3.76 7.32 0.00 -1.26 -5.03 105.19 118.45 2dn5 n GLY 85 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 2dn5 n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn5 s PRO 86 N -2.21 -0.56 0.12 1.61 0.04 -1.26 -5.10 135.00 127.64 2dn5 s PRO 86 Ca 0.00 -0.35 0.04 0.00 0.04 0.00 0.00 61.00 60.73 2dn5 s PRO 86 Cb 0.00 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 2dn5 s PRO 86 CO 0.00 -3.22 -0.10 0.45 0.04 0.00 0.00 177.00 174.17 2dn5 s SER 87 N -4.48 1.57 0.00 6.66 0.15 -1.26 -5.12 113.70 111.22 2dn5 s SER 87 Ca 0.74 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2dn5 s SER 87 Cb -0.05 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2dn5 s SER 87 CO 0.55 -0.30 0.00 -1.20 1.20 0.00 0.00 173.24 173.49 2dn5 n SER 88 N 0.25 0.00 0.00 5.45 7.64 -1.26 -5.27 113.62 120.43 2dn5 n SER 88 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2dn5 n SER 88 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64