#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn5 s SER 2 N 0.00 4.61 0.69 1.61 1.04 -1.26 -5.10 113.70 115.29 2dn5 s SER 2 Ca 0.00 -1.27 -0.15 0.00 0.48 0.00 0.00 55.95 55.02 2dn5 s SER 2 Cb 0.00 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.50 2dn5 s SER 2 CO 0.00 -0.21 1.13 -0.44 0.98 0.00 0.00 173.24 174.69 2dn5 s SER 3 N 1.20 4.85 0.12 7.02 0.01 -1.26 -4.44 113.70 121.19 2dn5 s SER 3 Ca -0.06 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.26 2dn5 s SER 3 Cb -0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2dn5 s SER 3 CO -0.03 -1.81 0.00 0.61 0.41 0.00 0.00 173.24 172.42 2dn5 n GLY 4 N -0.39 1.48 2.98 3.44 0.00 -1.26 -4.98 105.19 106.46 2dn5 n GLY 4 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 2dn5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn5 n SER 5 N 3.99 -6.34 -4.43 1.61 2.88 -1.26 -4.90 113.62 105.17 2dn5 n SER 5 Ca 0.00 0.90 -0.43 0.00 -1.33 0.00 0.00 58.87 58.01 2dn5 n SER 5 Cb 0.00 -2.95 -0.10 0.00 -0.75 0.00 0.00 64.21 60.41 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn5 s SER 6 N -0.89 6.07 0.05 -3.46 1.04 -1.26 -4.81 113.70 110.44 2dn5 s SER 6 Ca -0.04 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2dn5 s SER 6 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2dn5 s SER 6 CO 0.29 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dn5 n GLY 7 N 5.15 -0.05 0.33 7.32 0.00 -1.26 -4.79 105.19 111.89 2dn5 n GLY 7 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.53 -0.56 0.99 3.38 -1.95 0.67 115.31 117.31 2dn5 h LEU 8 Ca 0.00 0.26 0.11 0.00 0.09 0.00 0.00 57.88 58.34 2dn5 h LEU 8 Cb 0.30 0.48 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 2dn5 h LEU 8 CO 0.00 -0.30 -0.25 -0.09 0.09 0.00 0.00 178.44 177.88 2dn5 h ARG 9 N 0.03 -0.11 -0.56 1.13 2.43 -1.88 0.43 114.38 115.86 2dn5 h ARG 9 Ca 0.53 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.72 2dn5 h ARG 9 Cb 1.00 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2dn5 h ARG 9 CO -0.88 -0.07 0.35 0.93 -1.51 0.00 0.00 179.97 178.79 2dn5 h GLU 10 N -0.11 0.68 -0.10 0.20 4.39 -0.01 0.14 114.58 119.77 2dn5 h GLU 10 Ca 0.25 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2dn5 h GLU 10 Cb 0.51 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2dn5 h GLU 10 CO -0.63 0.45 0.06 1.96 -1.16 0.00 0.00 179.01 179.69 2dn5 h GLN 11 N 0.70 0.13 0.05 2.33 4.20 0.49 -0.97 115.11 122.04 2dn5 h GLN 11 Ca 0.22 -0.01 -0.26 0.00 0.06 0.00 0.00 58.65 58.66 2dn5 h GLN 11 Cb -0.01 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.75 2dn5 h GLN 11 CO -0.08 0.09 -1.09 0.28 -0.67 0.00 0.00 178.83 177.36 2dn5 h VAL 12 N 0.13 1.36 0.38 -0.54 2.07 0.11 -2.63 116.25 117.14 2dn5 h VAL 12 Ca 0.04 -2.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.04 2dn5 h VAL 12 Cb -0.01 2.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 2dn5 h VAL 12 CO -0.01 0.75 -0.46 0.11 0.02 0.00 0.00 177.57 177.99 2dn5 h LYS 13 N 0.25 -0.84 -0.40 1.57 1.57 0.54 0.47 116.57 119.73 2dn5 h LYS 13 Ca -0.13 0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2dn5 h LYS 13 Cb 1.75 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 2dn5 h LYS 13 CO 0.20 -0.56 0.27 0.93 -0.57 0.00 0.00 179.45 179.72 2dn5 h GLU 14 N -0.87 0.34 0.04 3.15 5.08 -1.48 -0.34 114.58 120.49 2dn5 h GLU 14 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dn5 h GLU 14 Cb 0.79 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dn5 h GLU 14 CO -0.11 0.23 -0.02 1.25 -1.00 0.00 0.00 179.01 179.35 2dn5 h LEU 15 N 0.35 -0.06 -1.25 1.33 5.85 -0.81 1.52 115.31 122.24 2dn5 h LEU 15 Ca 0.17 0.00 0.22 0.00 0.84 0.00 0.00 57.88 59.11 2dn5 h LEU 15 Cb 0.24 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.19 2dn5 h LEU 15 CO -0.04 -0.04 0.62 -0.26 -0.34 0.00 0.00 178.44 178.39 2dn5 h PHE 16 N -0.06 0.80 -0.41 1.25 0.04 -0.79 0.36 116.94 118.13 2dn5 h PHE 16 Ca -0.01 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 2dn5 h PHE 16 Cb 0.05 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2dn5 h PHE 16 CO 0.17 0.16 -0.26 -0.91 -0.60 0.00 0.00 178.31 176.86 2dn5 h ASN 17 N 0.56 0.94 -0.28 2.17 4.21 -0.86 -1.85 115.58 120.46 2dn5 h ASN 17 Ca 0.55 -0.43 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 2dn5 h ASN 17 Cb 1.15 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 38.08 2dn5 h ASN 17 CO -0.30 1.16 0.17 -0.33 -1.29 0.00 0.00 177.43 176.84 2dn5 h GLU 18 N 0.72 0.37 0.38 0.81 4.39 0.60 -0.37 114.58 121.49 2dn5 h GLU 18 Ca 0.08 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2dn5 h GLU 18 Cb 0.84 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2dn5 h GLU 18 CO 0.07 0.28 -0.29 0.87 -1.16 0.00 0.00 179.01 178.78 2dn5 h LYS 19 N 0.36 -0.65 -0.69 2.33 1.79 -0.81 -1.88 116.57 117.02 2dn5 h LYS 19 Ca 0.10 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.75 2dn5 h LYS 19 Cb -0.00 0.15 -0.13 0.00 -1.58 0.00 0.00 32.23 30.66 2dn5 h LYS 19 CO -0.02 -0.43 -0.20 -0.92 -1.08 0.00 0.00 179.45 176.79 2dn5 h TYR 20 N -0.67 -0.46 0.21 -1.35 3.20 -1.16 0.49 116.97 117.23 2dn5 h TYR 20 Ca -0.03 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2dn5 h TYR 20 Cb 0.58 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 2dn5 h TYR 20 CO -0.14 -0.32 -0.46 0.78 -1.64 0.00 0.00 178.16 176.38 2dn5 h GLY 21 N -0.03 -1.01 0.57 1.82 0.00 -0.92 0.44 103.07 103.95 2dn5 h GLY 21 Ca 0.32 0.55 0.09 0.00 0.00 0.00 0.00 47.33 48.30 2dn5 h GLY 21 CO -0.72 -0.29 0.50 0.83 0.00 0.00 0.00 176.54 176.85 2dn5 h GLU 22 N -0.76 0.83 -0.78 4.80 5.08 -0.43 0.61 114.58 123.92 2dn5 h GLU 22 Ca -0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dn5 h GLU 22 Cb 0.74 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2dn5 h GLU 22 CO -0.21 0.55 0.47 0.00 -1.00 0.00 0.00 179.01 178.82 2dn5 h ALA 23 N 1.45 1.36 0.00 3.43 0.00 0.76 0.28 119.26 126.53 2dn5 h ALA 23 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2dn5 h ALA 23 Cb 0.32 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dn5 h ALA 23 CO -0.23 0.55 0.00 1.28 0.00 0.00 0.00 179.25 180.85 2dn5 n LEU 24 N -4.38 0.00 -0.08 0.00 4.77 0.15 -4.46 117.00 113.00 2dn5 n LEU 24 Ca 0.08 0.42 -0.01 0.00 -0.03 0.00 0.00 56.01 56.47 2dn5 n LEU 24 Cb 0.06 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2dn5 n LEU 24 CO 0.37 -0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 176.86 2dn5 n GLY 25 N 0.22 0.45 1.82 -0.72 0.00 0.97 -4.66 105.19 103.27 2dn5 n GLY 25 Ca 0.06 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.12 0.00 -0.22 0.99 4.77 -0.48 -5.00 117.00 116.94 2dn5 n LEU 26 Ca -0.01 -1.04 0.08 0.00 -0.03 0.00 0.00 56.01 55.01 2dn5 n LEU 26 Cb 0.07 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.02 2dn5 n LEU 26 CO 0.02 -0.69 0.49 -3.20 -1.33 0.00 0.00 177.39 172.68 2dn5 n ASN 27 N -2.88 1.96 -3.89 -1.43 2.85 -1.26 -4.36 115.26 106.25 2dn5 n ASN 27 Ca 0.08 -3.05 -0.10 0.00 -0.11 0.00 0.00 54.58 51.39 2dn5 n ASN 27 Cb 0.28 -0.41 -0.09 0.00 1.24 0.00 0.00 39.78 40.79 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dn5 s ARG 28 N -2.53 0.61 0.21 1.20 1.70 -1.26 -5.07 118.95 113.81 2dn5 s ARG 28 Ca 0.29 -0.66 -0.30 0.00 -0.47 0.00 0.00 55.73 54.60 2dn5 s ARG 28 Cb 0.26 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 2dn5 s ARG 28 CO 0.01 -0.16 1.10 -1.25 -1.08 0.00 0.00 175.30 173.92 2dn5 s PRO 29 N -2.42 4.61 -0.01 3.89 0.04 -1.26 -4.18 135.00 135.67 2dn5 s PRO 29 Ca -0.06 1.75 0.05 0.00 0.04 0.00 0.00 61.00 62.77 2dn5 s PRO 29 Cb -0.02 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2dn5 s PRO 29 CO -0.03 0.12 -0.16 0.08 0.04 0.00 0.00 177.00 177.05 2dn5 s VAL 30 N -0.56 1.24 0.64 -0.36 1.01 -0.25 -4.90 120.40 117.23 2dn5 s VAL 30 Ca 0.48 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2dn5 s VAL 30 Cb -0.30 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2dn5 s VAL 30 CO 0.37 0.33 1.23 0.18 0.00 0.00 0.00 175.10 177.20 2dn5 n LEU 31 N 2.63 5.55 -4.55 3.92 4.77 -1.26 -4.14 117.00 123.92 2dn5 n LEU 31 Ca -0.15 0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 56.27 2dn5 n LEU 31 Cb 0.55 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 2dn5 n LEU 31 CO 0.24 -1.17 -0.14 -0.69 -1.33 0.00 0.00 177.39 174.30 2dn5 s VAL 32 N -1.41 5.27 -1.20 4.08 1.01 -1.26 -4.98 120.40 121.92 2dn5 s VAL 32 Ca 0.81 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2dn5 s VAL 32 Cb -0.39 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 2dn5 s VAL 32 CO 0.42 0.08 2.39 -0.81 0.00 0.00 0.00 175.10 177.17 2dn5 n PRO 33 N 5.09 2.64 -0.37 2.72 -0.04 -1.26 -4.67 135.00 139.12 2dn5 n PRO 33 Ca -0.13 -1.87 0.27 0.00 -0.04 0.00 0.00 63.50 61.73 2dn5 n PRO 33 Cb 0.50 -2.71 0.54 0.00 -0.04 0.00 0.00 33.50 31.79 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 6.03 0.72 -0.68 0.54 0.05 -1.97 0.79 116.97 122.44 2dn5 h TYR 34 Ca 0.62 0.03 0.11 0.00 0.05 0.00 0.00 58.73 59.54 2dn5 h TYR 34 Cb 0.31 -0.19 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 2dn5 h TYR 34 CO 1.80 -0.10 0.29 -0.22 -1.05 0.00 0.00 178.16 178.88 2dn5 h LYS 35 N 0.28 0.47 0.17 4.88 3.64 -1.99 0.73 116.57 124.75 2dn5 h LYS 35 Ca 0.71 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.06 2dn5 h LYS 35 Cb 1.89 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 2dn5 h LYS 35 CO -0.44 0.31 -0.08 -0.07 -2.27 0.00 0.00 179.45 176.90 2dn5 h LEU 36 N 0.49 -0.19 -1.48 5.20 3.38 0.16 -2.78 115.31 120.09 2dn5 h LEU 36 Ca 0.35 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.80 2dn5 h LEU 36 Cb 0.44 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 2dn5 h LEU 36 CO -0.32 0.00 0.95 0.40 0.09 0.00 0.00 178.44 179.56 2dn5 h ILE 37 N -0.50 0.05 0.39 1.22 2.04 -1.08 1.74 117.51 121.38 2dn5 h ILE 37 Ca -0.02 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dn5 h ILE 37 Cb 0.17 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2dn5 h ILE 37 CO 0.04 0.01 -0.19 -0.09 0.00 0.00 0.00 178.15 177.92 2dn5 h ARG 38 N 0.03 -0.50 0.00 2.37 9.65 0.50 -2.57 114.38 123.85 2dn5 h ARG 38 Ca 0.87 0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 59.71 2dn5 h ARG 38 Cb 2.88 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 31.57 2dn5 h ARG 38 CO -0.39 -0.27 -0.34 0.22 2.80 0.00 0.00 179.97 181.99 2dn5 h ASP 39 N -0.64 0.00 -3.78 -3.80 3.58 0.12 -3.37 116.42 108.53 2dn5 h ASP 39 Ca -0.05 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.76 2dn5 h ASP 39 Cb 0.47 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.11 2dn5 h ASP 39 CO 0.09 0.34 -0.70 -0.55 -2.88 0.00 0.00 179.24 175.54 2dn5 s SER 40 N -6.37 4.32 0.16 2.28 0.15 0.51 -4.93 113.70 109.83 2dn5 s SER 40 Ca 0.01 -2.41 0.24 0.00 0.70 0.00 0.00 55.95 54.49 2dn5 s SER 40 Cb 0.10 -1.41 0.91 0.00 -1.71 0.00 0.00 66.02 63.92 2dn5 s SER 40 CO 0.68 -0.32 1.73 -0.81 1.20 0.00 0.00 173.24 175.72 2dn5 n PRO 41 N 3.89 0.16 -2.11 5.44 -0.04 -1.00 -3.25 135.00 138.09 2dn5 n PRO 41 Ca 0.04 0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 63.40 2dn5 n PRO 41 Cb 0.38 -1.74 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 2dn5 n PRO 41 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2dn5 n ASP 42 N -2.03 6.60 0.01 3.54 9.92 -1.26 -4.46 116.55 128.87 2dn5 n ASP 42 Ca 0.04 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.50 2dn5 n ASP 42 Cb 0.31 -0.87 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dn5 n ALA 43 N -0.52 3.00 -2.77 2.24 0.00 -1.20 -4.27 120.51 116.98 2dn5 n ALA 43 Ca 0.49 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.78 2dn5 n ALA 43 Cb 0.37 0.39 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 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 0.48 -0.21 0.00 1.01 -1.26 -2.02 120.40 116.40 2dn5 s VAL 44 Ca 0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 2dn5 s VAL 44 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2dn5 s VAL 44 CO 0.00 0.00 0.09 -0.70 0.00 0.00 0.00 175.10 174.49 2dn5 s GLU 45 N -0.50 3.94 -0.17 2.72 2.12 0.53 -4.77 118.70 122.57 2dn5 s GLU 45 Ca -0.01 -0.35 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2dn5 s GLU 45 Cb -0.04 -3.32 -0.00 0.00 0.26 0.00 0.00 34.13 31.02 2dn5 s GLU 45 CO -0.00 0.13 -0.13 0.08 -0.54 0.00 0.00 175.26 174.80 2dn5 s VAL 46 N 0.80 2.85 0.26 3.70 1.01 -1.26 0.37 120.40 128.12 2dn5 s VAL 46 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dn5 s VAL 46 Cb -0.13 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2dn5 s VAL 46 CO 0.02 0.50 0.32 0.42 0.00 0.00 0.00 175.10 176.36 2dn5 s THR 47 N 0.91 0.00 0.00 3.92 -4.23 0.46 -4.88 115.64 111.83 2dn5 s THR 47 Ca -0.03 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2dn5 s THR 47 Cb -0.15 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2dn5 s THR 47 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2dn5 n GLY 48 N -0.40 2.95 3.09 3.99 0.00 -1.26 0.18 105.19 113.74 2dn5 n GLY 48 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.90 -4.78 0.99 4.77 -1.26 -3.76 117.00 109.05 2dn5 n LEU 49 Ca 0.00 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 2dn5 n LEU 49 Cb 0.00 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 2dn5 n LEU 49 CO 0.00 -4.37 0.73 -2.16 -1.33 0.00 0.00 177.39 170.26 2dn5 s PRO 50 N -2.41 4.09 0.44 3.23 0.04 -1.26 -4.92 135.00 134.21 2dn5 s PRO 50 Ca 0.43 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 2dn5 s PRO 50 Cb -0.10 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 2dn5 s PRO 50 CO 0.74 -0.20 1.40 -0.51 0.04 0.00 0.00 177.00 178.47 2dn5 s ASP 51 N -1.63 5.97 -0.76 6.66 1.01 -1.26 -2.41 116.67 124.25 2dn5 s ASP 51 Ca 0.60 2.86 -0.02 0.00 0.71 0.00 0.00 52.55 56.69 2dn5 s ASP 51 Cb -0.21 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.07 2dn5 s ASP 51 CO 0.26 -1.10 0.32 -0.67 0.21 0.00 0.00 175.17 174.20 2dn5 n ASP 52 N -0.12 -3.83 -3.61 0.27 2.03 -1.26 -5.02 116.55 105.01 2dn5 n ASP 52 Ca 0.05 -0.15 -0.08 0.00 0.52 0.00 0.00 54.79 55.13 2dn5 n ASP 52 Cb 0.42 -2.70 -0.09 0.00 -0.72 0.00 0.00 41.12 38.03 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 -2.87 -0.67 0.00 5.18 1.01 -1.01 -5.09 121.20 117.74 2dn5 s ILE 53 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2dn5 s ILE 53 Cb -0.07 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2dn5 s ILE 53 CO 0.20 0.04 0.00 -0.81 0.00 0.00 0.00 174.94 174.37 2dn5 n PRO 54 N 5.39 0.50 -3.73 2.79 -0.04 -1.26 -4.62 135.00 134.03 2dn5 n PRO 54 Ca -0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 2dn5 n PRO 54 Cb 0.49 0.00 -0.13 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 -0.33 2.05 0.26 0.54 5.36 -1.26 -4.95 117.98 119.64 2dn5 s PHE 55 Ca 0.00 -2.39 0.02 0.00 -0.96 0.00 0.00 56.93 53.60 2dn5 s PHE 55 Cb 0.00 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.71 2dn5 s PHE 55 CO 0.00 -0.80 0.17 1.03 -1.46 0.00 0.00 175.22 174.16 2dn5 s ARG 56 N 0.50 1.43 0.13 10.12 1.81 -1.26 -5.06 118.95 126.61 2dn5 s ARG 56 Ca 0.16 -1.79 -0.31 0.00 -1.72 0.00 0.00 55.73 52.07 2dn5 s ARG 56 Cb -0.24 0.19 -0.17 0.00 -0.45 0.00 0.00 34.95 34.28 2dn5 s ARG 56 CO -0.03 -0.46 0.68 -1.71 -0.68 0.00 0.00 175.30 173.10 2dn5 n ASN 57 N -0.74 -0.80 0.00 0.23 5.15 -1.26 -4.76 115.26 113.08 2dn5 n ASN 57 Ca 0.03 1.10 0.12 0.00 -0.60 0.00 0.00 54.58 55.23 2dn5 n ASN 57 Cb 0.65 -0.91 0.68 0.00 -0.53 0.00 0.00 39.78 39.67 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dn5 n PRO 58 N 1.13 0.66 -2.86 1.20 -0.04 -1.26 -4.06 135.00 129.77 2dn5 n PRO 58 Ca 0.18 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2dn5 n PRO 58 Cb 0.19 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2dn5 n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dn5 n ASN 59 N -1.06 6.22 0.00 3.54 2.85 -1.26 -4.01 115.26 121.54 2dn5 n ASN 59 Ca 0.17 -3.37 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 2dn5 n ASN 59 Cb 0.10 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 39.81 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2dn5 n THR 60 N 1.65 0.00 -0.40 -0.44 5.66 -1.26 -5.15 114.28 114.34 2dn5 n THR 60 Ca 0.29 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.15 2dn5 n THR 60 Cb 0.33 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.25 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 -2.40 -4.53 1.09 4.01 -1.26 -5.04 117.16 109.04 2dn5 n TYR 61 Ca 0.00 -0.10 -0.25 0.00 -0.16 0.00 0.00 57.90 57.39 2dn5 n TYR 61 Cb 0.00 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 37.81 2dn5 n TYR 61 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2dn5 s ASP 62 N -2.03 3.08 0.06 7.72 2.15 -1.26 -4.91 116.67 121.48 2dn5 s ASP 62 Ca 0.31 -1.37 -0.11 0.00 0.43 0.00 0.00 52.55 51.80 2dn5 s ASP 62 Cb -0.05 -0.23 -0.03 0.00 -0.30 0.00 0.00 42.92 42.31 2dn5 s ASP 62 CO 0.26 -0.53 1.18 -0.38 -0.17 0.00 0.00 175.17 175.52 2dn5 n ILE 63 N -0.82 -0.25 0.00 4.11 -0.00 -1.26 0.16 119.36 121.30 2dn5 n ILE 63 Ca -0.04 1.81 0.00 0.00 -0.00 0.00 0.00 62.75 64.53 2dn5 n ILE 63 Cb 0.67 -2.33 0.00 0.00 -0.00 0.00 0.00 39.64 37.98 2dn5 n ILE 63 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2dn5 n HIS 64 N -3.81 0.00 -0.19 1.39 8.25 -1.26 0.13 115.22 119.73 2dn5 n HIS 64 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2dn5 n HIS 64 Cb 0.09 -0.33 -0.10 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.32 -1.17 -0.41 3.08 -1.75 1.67 114.38 115.48 2dn5 h ARG 65 Ca 0.00 0.02 0.37 0.00 0.07 0.00 0.00 59.98 60.44 2dn5 h ARG 65 Cb 0.00 0.07 -0.12 0.00 0.08 0.00 0.00 29.97 30.00 2dn5 h ARG 65 CO 0.00 -0.21 0.74 -0.07 -1.07 0.00 0.00 179.97 179.35 2dn5 h LEU 66 N -0.33 0.35 0.03 3.04 3.38 0.27 0.53 115.31 122.59 2dn5 h LEU 66 Ca 0.09 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2dn5 h LEU 66 Cb 0.56 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2dn5 h LEU 66 CO -0.66 -0.11 -0.01 -0.33 0.09 0.00 0.00 178.44 177.42 2dn5 h GLU 67 N 0.21 -0.04 -0.15 1.13 4.39 0.79 -2.85 114.58 118.06 2dn5 h GLU 67 Ca 0.74 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.47 2dn5 h GLU 67 Cb 2.10 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.70 2dn5 h GLU 67 CO -0.43 0.54 -0.43 0.87 -1.16 0.00 0.00 179.01 178.40 2dn5 h LYS 68 N -0.97 -0.41 -0.55 2.33 1.57 0.46 1.46 116.57 120.46 2dn5 h LYS 68 Ca -0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 2dn5 h LYS 68 Cb 0.59 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.89 2dn5 h LYS 68 CO 0.01 -0.27 -0.32 0.82 -0.57 0.00 0.00 179.45 179.12 2dn5 h ILE 69 N -0.43 0.20 -0.06 1.86 2.04 -0.23 1.56 117.51 122.45 2dn5 h ILE 69 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 2dn5 h ILE 69 Cb 0.52 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2dn5 h ILE 69 CO -0.37 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 177.76 2dn5 h LEU 70 N -0.17 0.00 -0.39 1.44 3.38 -0.96 1.14 115.31 119.75 2dn5 h LEU 70 Ca 0.23 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2dn5 h LEU 70 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2dn5 h LEU 70 CO -0.65 0.00 -0.78 0.11 0.09 0.00 0.00 178.44 177.21 2dn5 h LYS 71 N 0.00 0.28 -0.74 1.13 1.57 1.26 -2.90 116.57 117.16 2dn5 h LYS 71 Ca 0.03 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2dn5 h LYS 71 Cb 0.12 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2dn5 h LYS 71 CO -0.00 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 2dn5 n ALA 72 N -2.48 2.44 -0.35 3.86 0.00 0.23 -4.49 120.51 119.71 2dn5 n ALA 72 Ca -0.04 -1.33 0.28 0.00 0.00 0.00 0.00 53.44 52.35 2dn5 n ALA 72 Cb 0.74 -0.94 0.54 0.00 0.00 0.00 0.00 19.45 19.79 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 4.33 0.19 -0.09 0.00 0.11 0.14 1.30 114.38 120.37 2dn5 h ARG 73 Ca 0.00 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.01 2dn5 h ARG 73 Cb 1.03 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.07 2dn5 h ARG 73 CO 0.02 0.13 -0.18 0.93 0.10 0.00 0.00 179.97 180.96 2dn5 h GLU 74 N 0.20 0.28 -0.49 0.08 4.39 -1.83 -3.23 114.58 113.98 2dn5 h GLU 74 Ca 0.78 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 60.28 2dn5 h GLU 74 Cb 1.99 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.64 2dn5 h GLU 74 CO -0.60 0.78 0.27 0.45 -1.16 0.00 0.00 179.01 178.75 2dn5 h HIS 75 N -0.19 0.68 -1.44 4.33 3.86 -0.00 -3.43 115.15 118.96 2dn5 h HIS 75 Ca 0.00 -0.02 -0.72 0.00 -1.16 0.00 0.00 60.37 58.47 2dn5 h HIS 75 Cb 0.77 -0.22 0.05 0.00 1.06 0.00 0.00 27.41 29.08 2dn5 h HIS 75 CO 0.11 0.51 0.35 0.28 0.86 0.00 0.00 177.93 180.04 2dn5 n VAL 76 N -4.66 0.01 -3.78 2.45 0.31 0.38 -4.16 118.33 108.89 2dn5 n VAL 76 Ca 0.02 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 2dn5 n VAL 76 Cb 0.09 -0.56 -0.13 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.51 0.21 0.01 5.55 6.06 0.48 -4.89 118.95 126.87 2dn5 s ARG 77 Ca 0.88 0.34 0.03 0.00 -2.50 0.00 0.00 55.73 54.48 2dn5 s ARG 77 Cb -1.07 0.03 -0.03 0.00 0.06 0.00 0.00 34.95 33.94 2dn5 s ARG 77 CO 0.52 -0.07 -0.07 -1.64 -2.50 0.00 0.00 175.30 171.54 2dn5 s MET 78 N 0.45 2.54 -0.06 5.12 -1.94 -1.26 -0.40 119.30 123.75 2dn5 s MET 78 Ca -0.03 -0.73 -0.02 0.00 -1.71 0.00 0.00 55.69 53.20 2dn5 s MET 78 Cb -0.04 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.33 2dn5 s MET 78 CO -0.02 0.60 0.04 0.08 -0.01 0.00 0.00 175.02 175.71 2dn5 s VAL 79 N -1.01 0.06 -0.80 -6.03 1.01 0.16 -4.50 120.40 109.29 2dn5 s VAL 79 Ca 0.17 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 2dn5 s VAL 79 Cb -0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 35.89 2dn5 s VAL 79 CO 0.08 0.16 2.04 -0.63 0.00 0.00 0.00 175.10 176.75 2dn5 s ILE 80 N 2.10 3.32 0.07 2.22 -1.09 -1.26 0.20 121.20 126.76 2dn5 s ILE 80 Ca 0.05 -0.16 -0.21 0.00 -2.23 0.00 0.00 60.65 58.09 2dn5 s ILE 80 Cb -0.13 -3.75 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 2dn5 s ILE 80 CO -0.04 -0.71 1.34 0.40 -1.23 0.00 0.00 174.94 174.69 2dn5 h ILE 81 N 7.29 0.00 -1.06 2.92 1.08 -1.71 -3.43 117.51 122.60 2dn5 h ILE 81 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2dn5 h ILE 81 Cb 1.05 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 2dn5 h ILE 81 CO 1.17 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 175.43 2dn5 n ASN 82 N -4.34 0.00 -0.87 1.72 2.85 -1.01 -5.01 115.26 108.60 2dn5 n ASN 82 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2dn5 n ASN 82 Cb 0.23 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.25 2dn5 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dn5 n GLN 83 N 0.00 -2.31 -0.03 1.20 1.13 -1.26 -4.99 117.38 111.11 2dn5 n GLN 83 Ca 0.00 1.78 -0.08 0.00 -1.94 0.00 0.00 57.00 56.77 2dn5 n GLN 83 Cb 0.00 -2.20 -0.03 0.00 0.11 0.00 0.00 30.24 28.13 2dn5 n GLN 83 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2dn5 n SER 84 N -1.95 0.62 -4.05 1.08 3.41 -1.26 -5.08 113.62 106.39 2dn5 n SER 84 Ca 0.00 0.10 -0.11 0.00 -0.26 0.00 0.00 58.87 58.61 2dn5 n SER 84 Cb 0.23 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.82 2dn5 n SER 84 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dn5 s GLY 85 N -5.05 0.43 0.50 5.00 0.00 -1.26 -5.15 107.32 101.79 2dn5 s GLY 85 Ca -0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 2dn5 s GLY 85 CO 0.13 -0.88 1.04 2.56 0.00 0.00 0.00 173.10 175.95 2dn5 s PRO 86 N -2.04 3.75 0.09 2.90 0.04 -1.26 -5.06 135.00 133.42 2dn5 s PRO 86 Ca -0.08 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.13 2dn5 s PRO 86 Cb -0.06 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2dn5 s PRO 86 CO -0.02 -0.47 0.40 0.45 0.04 0.00 0.00 177.00 177.40 2dn5 s SER 87 N -2.09 -0.25 0.52 6.66 0.15 -1.26 -5.13 113.70 112.30 2dn5 s SER 87 Ca 0.67 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2dn5 s SER 87 Cb -0.16 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2dn5 s SER 87 CO 0.22 -0.77 0.00 -0.24 1.20 0.00 0.00 173.24 173.65 2dn5 n SER 88 N 0.08 -6.71 0.00 5.45 2.88 -1.26 -5.25 113.62 108.81 2dn5 n SER 88 Ca -0.17 1.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2dn5 n SER 88 Cb 0.62 -4.15 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42