#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 1.88 -4.72 1.61 2.88 -1.26 -4.94 113.62 109.09 2dn5 n SER 2 Ca 0.00 0.46 -0.43 0.00 -1.33 0.00 0.00 58.87 57.57 2dn5 n SER 2 Cb 0.00 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 62.63 2dn5 n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dn5 n SER 3 N -4.50 3.41 0.27 -3.46 3.41 -1.26 -4.93 113.62 106.56 2dn5 n SER 3 Ca -0.16 1.14 -0.11 0.00 -0.26 0.00 0.00 58.87 59.48 2dn5 n SER 3 Cb 0.46 -1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 62.83 2dn5 n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dn5 h GLY 4 N 4.55 -0.75 -5.67 5.00 0.00 -2.10 -3.46 103.07 100.64 2dn5 h GLY 4 Ca -0.46 0.28 0.16 0.00 0.00 0.00 0.00 47.33 47.30 2dn5 h GLY 4 CO 0.78 -0.27 -0.10 -0.56 0.00 0.00 0.00 176.54 176.39 2dn5 s SER 5 N -4.06 -0.50 -0.33 0.19 0.01 -1.26 -4.98 113.70 102.77 2dn5 s SER 5 Ca -0.11 -0.09 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 2dn5 s SER 5 Cb 0.01 0.98 -0.06 0.00 0.21 0.00 0.00 66.02 67.16 2dn5 s SER 5 CO 0.32 -0.07 2.30 -0.94 0.41 0.00 0.00 173.24 175.25 2dn5 s SER 6 N 2.47 5.03 -0.16 2.44 1.04 -1.26 -4.82 113.70 118.43 2dn5 s SER 6 Ca 0.21 1.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.96 2dn5 s SER 6 Cb -0.00 -2.51 -0.20 0.00 0.10 0.00 0.00 66.02 63.41 2dn5 s SER 6 CO -0.19 -2.35 0.45 1.23 0.98 0.00 0.00 173.24 173.36 2dn5 h GLY 7 N 16.98 0.00 -0.69 7.32 0.00 -2.01 -3.37 103.07 121.30 2dn5 h GLY 7 Ca -0.34 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.14 2dn5 h GLY 7 CO 1.04 0.00 -0.29 1.41 0.00 0.00 0.00 176.54 178.70 2dn5 h LEU 8 N -1.00 -1.05 -0.95 3.11 3.38 -1.98 0.16 115.31 116.98 2dn5 h LEU 8 Ca -0.12 0.26 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2dn5 h LEU 8 Cb 0.98 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 42.20 2dn5 h LEU 8 CO -0.07 -0.29 -0.49 -1.14 0.09 0.00 0.00 178.44 176.54 2dn5 n ARG 9 N -5.50 -0.35 -0.12 1.13 3.00 -1.26 0.65 116.66 114.22 2dn5 n ARG 9 Ca 0.10 1.44 -0.05 0.00 -0.00 0.00 0.00 57.85 59.33 2dn5 n ARG 9 Cb 0.40 -2.12 0.03 0.00 0.00 0.00 0.00 32.46 30.77 2dn5 n ARG 9 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2dn5 h GLU 10 N 0.00 0.25 -0.02 -0.14 4.39 -0.88 -0.13 114.58 118.05 2dn5 h GLU 10 Ca 0.21 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2dn5 h GLU 10 Cb 0.45 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 2dn5 h GLU 10 CO -0.91 0.16 -0.28 1.96 -1.16 0.00 0.00 179.01 178.79 2dn5 h GLN 11 N 0.26 -0.40 -0.69 2.33 4.20 0.11 0.20 115.11 121.12 2dn5 h GLN 11 Ca 0.18 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.03 2dn5 h GLN 11 Cb 0.19 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.98 2dn5 h GLN 11 CO -0.21 -0.27 0.29 0.28 -0.67 0.00 0.00 178.83 178.26 2dn5 h VAL 12 N -0.42 0.76 0.13 -0.54 2.07 0.49 0.47 116.25 119.21 2dn5 h VAL 12 Ca 0.07 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2dn5 h VAL 12 Cb 0.51 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2dn5 h VAL 12 CO -0.25 0.09 -0.40 0.11 0.02 0.00 0.00 177.57 177.13 2dn5 h LYS 13 N 0.49 -0.62 -0.43 1.57 1.57 0.15 0.34 116.57 119.63 2dn5 h LYS 13 Ca 0.35 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.19 2dn5 h LYS 13 Cb 0.44 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2dn5 h LYS 13 CO -0.32 -0.41 0.29 0.93 -0.57 0.00 0.00 179.45 179.36 2dn5 h GLU 14 N -0.64 0.53 0.14 3.15 4.39 -0.05 -1.01 114.58 121.08 2dn5 h GLU 14 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2dn5 h GLU 14 Cb 0.66 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2dn5 h GLU 14 CO -0.23 0.35 -0.09 1.25 -1.16 0.00 0.00 179.01 179.13 2dn5 h LEU 15 N 0.54 -0.24 -0.87 1.33 5.85 0.15 1.45 115.31 123.53 2dn5 h LEU 15 Ca 0.17 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.08 2dn5 h LEU 15 Cb 0.00 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 2dn5 h LEU 15 CO -0.04 -0.14 0.41 -0.26 -0.34 0.00 0.00 178.44 178.08 2dn5 h PHE 16 N -0.22 0.70 -0.61 1.25 0.04 -0.86 0.27 116.94 117.52 2dn5 h PHE 16 Ca -0.02 0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 2dn5 h PHE 16 Cb 0.18 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2dn5 h PHE 16 CO 0.02 0.08 0.18 -0.91 -0.60 0.00 0.00 178.31 177.09 2dn5 h ASN 17 N 0.52 0.89 -0.32 2.17 4.21 -0.96 -1.34 115.58 120.75 2dn5 h ASN 17 Ca 0.50 -0.21 0.01 0.00 1.21 0.00 0.00 56.30 57.81 2dn5 h ASN 17 Cb 0.83 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.78 2dn5 h ASN 17 CO -0.44 0.87 0.20 -0.33 -1.29 0.00 0.00 177.43 176.44 2dn5 h GLU 18 N 0.87 0.40 0.19 0.81 4.39 0.53 -1.14 114.58 120.63 2dn5 h GLU 18 Ca 0.20 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.88 2dn5 h GLU 18 Cb 0.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2dn5 h GLU 18 CO -0.01 0.27 -0.21 0.87 -1.16 0.00 0.00 179.01 178.77 2dn5 h LYS 19 N 0.41 -0.42 -0.58 2.33 1.79 -0.55 -1.88 116.57 117.67 2dn5 h LYS 19 Ca 0.12 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.73 2dn5 h LYS 19 Cb -0.03 0.10 -0.11 0.00 -1.58 0.00 0.00 32.23 30.60 2dn5 h LYS 19 CO -0.04 -0.28 -0.21 -0.92 -1.08 0.00 0.00 179.45 176.91 2dn5 h TYR 20 N -0.44 -0.53 0.08 -1.35 3.20 -0.98 0.46 116.97 117.42 2dn5 h TYR 20 Ca 0.00 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2dn5 h TYR 20 Cb 0.42 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 2dn5 h TYR 20 CO -0.16 -0.31 -0.43 0.78 -1.64 0.00 0.00 178.16 176.40 2dn5 h GLY 21 N -0.07 -0.87 0.62 1.82 0.00 -0.89 0.98 103.07 104.66 2dn5 h GLY 21 Ca 0.27 0.52 0.08 0.00 0.00 0.00 0.00 47.33 48.20 2dn5 h GLY 21 CO -0.63 -0.26 0.49 0.83 0.00 0.00 0.00 176.54 176.96 2dn5 h GLU 22 N -0.64 0.83 -0.30 4.80 5.08 -0.49 0.81 114.58 124.67 2dn5 h GLU 22 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2dn5 h GLU 22 Cb 0.68 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2dn5 h GLU 22 CO -0.27 0.55 -0.08 0.00 -1.00 0.00 0.00 179.01 178.21 2dn5 h ALA 23 N 1.43 1.31 0.00 3.43 0.00 0.85 0.19 119.26 126.47 2dn5 h ALA 23 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dn5 h ALA 23 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dn5 h ALA 23 CO -0.21 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2dn5 n LEU 24 N -4.24 0.00 0.00 0.00 4.77 0.33 -4.64 117.00 113.22 2dn5 n LEU 24 Ca 0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2dn5 n LEU 24 Cb 0.29 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2dn5 n LEU 24 CO 0.40 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2dn5 n GLY 25 N 0.33 0.44 1.67 -0.72 0.00 0.06 -5.04 105.19 101.94 2dn5 n GLY 25 Ca 0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.32 0.99 4.77 -0.41 -5.00 117.00 117.03 2dn5 n LEU 26 Ca 0.00 -0.94 0.07 0.00 -0.03 0.00 0.00 56.01 55.11 2dn5 n LEU 26 Cb 0.00 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2dn5 n LEU 26 CO 0.00 -0.69 0.45 0.59 -1.33 0.00 0.00 177.39 176.41 2dn5 n ASN 27 N -2.91 1.81 -3.91 -1.43 3.02 -1.26 -4.33 115.26 106.24 2dn5 n ASN 27 Ca 0.07 -3.06 -0.10 0.00 -0.03 0.00 0.00 54.58 51.46 2dn5 n ASN 27 Cb 0.25 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dn5 s ARG 28 N -2.40 0.50 0.13 3.52 1.70 -1.26 -5.07 118.95 116.06 2dn5 s ARG 28 Ca 0.29 -0.57 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 2dn5 s ARG 28 Cb 0.27 0.20 -0.07 0.00 -0.57 0.00 0.00 34.95 34.78 2dn5 s ARG 28 CO -0.01 -0.12 1.14 -1.25 -1.08 0.00 0.00 175.30 173.99 2dn5 s PRO 29 N -1.87 4.52 0.01 3.89 0.04 -1.26 -4.16 135.00 136.17 2dn5 s PRO 29 Ca -0.11 1.74 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2dn5 s PRO 29 Cb -0.05 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2dn5 s PRO 29 CO -0.01 -0.07 -0.18 0.08 0.04 0.00 0.00 177.00 176.85 2dn5 s VAL 30 N 0.33 1.46 0.81 -0.36 1.01 -0.53 -4.89 120.40 118.22 2dn5 s VAL 30 Ca 0.53 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.45 2dn5 s VAL 30 Cb -0.29 -1.24 0.07 0.00 0.00 0.00 0.00 36.38 34.92 2dn5 s VAL 30 CO 0.33 0.29 1.12 0.18 0.00 0.00 0.00 175.10 177.02 2dn5 n LEU 31 N 2.30 3.97 -4.54 3.92 4.77 -1.26 -4.14 117.00 122.02 2dn5 n LEU 31 Ca -0.16 0.58 -0.37 0.00 -0.03 0.00 0.00 56.01 56.03 2dn5 n LEU 31 Cb 0.54 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.04 2dn5 n LEU 31 CO 0.24 -1.88 -0.22 -0.69 -1.33 0.00 0.00 177.39 173.50 2dn5 s VAL 32 N -2.12 4.87 -1.17 4.08 1.01 -1.26 -4.88 120.40 120.93 2dn5 s VAL 32 Ca 0.72 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 2dn5 s VAL 32 Cb -0.29 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.73 2dn5 s VAL 32 CO 0.52 0.32 2.50 -0.81 0.00 0.00 0.00 175.10 177.62 2dn5 n PRO 33 N 4.78 2.74 -0.32 2.72 -0.04 -1.26 -4.66 135.00 138.95 2dn5 n PRO 33 Ca -0.15 -1.73 0.21 0.00 -0.04 0.00 0.00 63.50 61.79 2dn5 n PRO 33 Cb 0.52 -2.57 0.42 0.00 -0.04 0.00 0.00 33.50 31.83 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 5.66 0.64 -0.35 0.54 0.05 -1.98 0.43 116.97 121.97 2dn5 h TYR 34 Ca 0.64 0.05 0.08 0.00 0.05 0.00 0.00 58.73 59.54 2dn5 h TYR 34 Cb 0.25 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.78 2dn5 h TYR 34 CO 1.92 -0.27 -0.26 0.87 -1.05 0.00 0.00 178.16 179.37 2dn5 h LYS 35 N 0.20 -0.21 0.31 4.88 1.57 -1.99 1.17 116.57 122.50 2dn5 h LYS 35 Ca 0.69 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.47 2dn5 h LYS 35 Cb 1.57 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2dn5 h LYS 35 CO -0.68 -0.14 -0.15 -0.07 -0.57 0.00 0.00 179.45 177.84 2dn5 h LEU 36 N -0.22 -0.35 -1.00 2.94 3.38 -0.58 -2.03 115.31 117.46 2dn5 h LEU 36 Ca 0.17 0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.51 2dn5 h LEU 36 Cb 0.49 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.14 2dn5 h LEU 36 CO -0.47 -0.23 0.32 0.40 0.09 0.00 0.00 178.44 178.55 2dn5 h ILE 37 N -0.45 0.01 0.08 1.22 2.04 -0.99 1.74 117.51 121.15 2dn5 h ILE 37 Ca -0.04 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 2dn5 h ILE 37 Cb 0.32 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 2dn5 h ILE 37 CO 0.07 0.00 -0.26 -0.09 0.00 0.00 0.00 178.15 177.87 2dn5 h ARG 38 N 0.01 -0.44 -0.34 2.37 9.65 0.16 -2.48 114.38 123.32 2dn5 h ARG 38 Ca 0.74 0.03 -0.15 0.00 -1.10 0.00 0.00 59.98 59.51 2dn5 h ARG 38 Cb 1.82 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 30.49 2dn5 h ARG 38 CO -0.84 -0.29 -0.36 0.22 2.80 0.00 0.00 179.97 181.50 2dn5 h ASP 39 N -0.45 0.91 -3.43 -3.80 3.58 0.15 -3.39 116.42 109.99 2dn5 h ASP 39 Ca 0.04 -0.47 -0.71 0.00 0.42 0.00 0.00 57.03 56.30 2dn5 h ASP 39 Cb 0.50 -0.26 -0.31 0.00 1.72 0.00 0.00 39.33 40.99 2dn5 h ASP 39 CO -0.18 1.20 -0.48 -0.55 -2.88 0.00 0.00 179.24 176.35 2dn5 s SER 40 N -6.73 5.51 0.41 2.28 0.15 0.52 -4.92 113.70 110.92 2dn5 s SER 40 Ca -0.12 -1.77 0.23 0.00 0.70 0.00 0.00 55.95 54.99 2dn5 s SER 40 Cb 0.10 -1.94 0.65 0.00 -1.71 0.00 0.00 66.02 63.12 2dn5 s SER 40 CO 0.86 -0.58 1.71 1.55 1.20 0.00 0.00 173.24 177.98 2dn5 h PRO 41 N 8.30 0.00 -2.09 5.44 0.13 -1.70 -3.24 132.00 138.84 2dn5 h PRO 41 Ca -0.19 0.00 -0.78 0.00 -0.87 0.00 0.00 66.00 64.16 2dn5 h PRO 41 Cb 1.07 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 2dn5 h PRO 41 CO 0.76 0.23 1.06 -0.25 -0.23 0.00 0.00 178.00 179.58 2dn5 n ASP 42 N -3.27 7.47 0.02 1.44 8.00 -1.26 -4.34 116.55 124.60 2dn5 n ASP 42 Ca 0.01 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.74 2dn5 n ASP 42 Cb 0.51 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dn5 n ALA 43 N -0.33 3.00 -2.85 2.24 0.00 -1.22 -3.88 120.51 117.47 2dn5 n ALA 43 Ca 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 2dn5 n ALA 43 Cb 0.25 0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.95 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 0.12 -0.17 0.00 1.01 -1.26 -0.55 120.40 117.56 2dn5 s VAL 44 Ca 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 2dn5 s VAL 44 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2dn5 s VAL 44 CO 0.00 -0.01 0.12 -0.70 0.00 0.00 0.00 175.10 174.51 2dn5 s GLU 45 N -0.16 3.87 -0.12 2.72 -6.30 0.54 -4.82 118.70 114.43 2dn5 s GLU 45 Ca -0.01 -0.22 0.03 0.00 -2.50 0.00 0.00 54.97 52.28 2dn5 s GLU 45 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 30.83 2dn5 s GLU 45 CO -0.00 0.47 -0.23 0.08 0.02 0.00 0.00 175.26 175.60 2dn5 s VAL 46 N -0.14 2.07 0.21 3.70 1.01 -1.26 0.14 120.40 126.13 2dn5 s VAL 46 Ca 0.10 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.02 2dn5 s VAL 46 Cb -0.12 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2dn5 s VAL 46 CO 0.00 0.56 0.28 0.42 0.00 0.00 0.00 175.10 176.35 2dn5 s THR 47 N 0.56 0.01 0.00 3.92 -4.23 0.42 -4.87 115.64 111.44 2dn5 s THR 47 Ca -0.13 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2dn5 s THR 47 Cb -0.17 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2dn5 s THR 47 CO 0.04 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2dn5 n GLY 48 N -0.30 3.12 3.19 3.99 0.00 -1.26 0.19 105.19 114.12 2dn5 n GLY 48 Ca -0.00 0.00 -0.35 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 -2.97 -4.78 0.99 4.77 -1.26 -3.97 117.00 109.78 2dn5 n LEU 49 Ca 0.00 0.15 -0.37 0.00 -0.03 0.00 0.00 56.01 55.76 2dn5 n LEU 49 Cb 0.00 -0.90 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 2dn5 n LEU 49 CO 0.00 -4.15 0.74 -2.16 -1.33 0.00 0.00 177.39 170.49 2dn5 s PRO 50 N -2.80 4.17 0.44 3.23 0.04 -1.26 -4.97 135.00 133.85 2dn5 s PRO 50 Ca 0.48 1.54 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2dn5 s PRO 50 Cb -0.13 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 2dn5 s PRO 50 CO 0.72 -0.14 1.43 0.16 0.04 0.00 0.00 177.00 179.21 2dn5 s ASP 51 N -1.53 5.95 -0.72 6.66 1.47 -1.26 -2.36 116.67 124.89 2dn5 s ASP 51 Ca 0.57 2.92 -0.02 0.00 1.18 0.00 0.00 52.55 57.20 2dn5 s ASP 51 Cb -0.23 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 39.70 2dn5 s ASP 51 CO 0.28 -1.13 0.31 -0.67 0.68 0.00 0.00 175.17 174.64 2dn5 n ASP 52 N -0.11 -3.70 -3.59 2.11 -0.08 -1.26 -5.02 116.55 104.90 2dn5 n ASP 52 Ca 0.05 -0.14 -0.07 0.00 -1.51 0.00 0.00 54.79 53.11 2dn5 n ASP 52 Cb 0.42 -2.58 -0.08 0.00 2.34 0.00 0.00 41.12 41.22 2dn5 n ASP 52 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2dn5 s ILE 53 N -2.86 -0.69 0.00 5.18 1.01 -0.99 -5.10 121.20 117.76 2dn5 s ILE 53 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2dn5 s ILE 53 Cb -0.07 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2dn5 s ILE 53 CO 0.19 0.03 0.00 -0.81 0.00 0.00 0.00 174.94 174.35 2dn5 n PRO 54 N 5.39 0.63 -3.80 2.79 -0.04 -1.26 -4.61 135.00 134.10 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 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.24 2.36 0.24 0.54 5.36 -1.26 -4.95 117.98 120.03 2dn5 s PHE 55 Ca 0.00 -2.38 0.01 0.00 -0.96 0.00 0.00 56.93 53.60 2dn5 s PHE 55 Cb 0.00 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.52 2dn5 s PHE 55 CO 0.00 -0.84 0.20 1.03 -1.46 0.00 0.00 175.22 174.14 2dn5 s ARG 56 N 0.84 1.40 0.09 10.12 0.52 -1.26 -5.05 118.95 125.61 2dn5 s ARG 56 Ca 0.14 -1.73 -0.31 0.00 -0.52 0.00 0.00 55.73 53.30 2dn5 s ARG 56 Cb -0.21 0.30 -0.17 0.00 0.52 0.00 0.00 34.95 35.39 2dn5 s ARG 56 CO -0.10 -0.49 0.73 -1.71 0.02 0.00 0.00 175.30 173.75 2dn5 n ASN 57 N -0.69 -0.58 0.00 0.23 2.85 -1.26 -4.78 115.26 111.03 2dn5 n ASN 57 Ca 0.03 1.06 0.11 0.00 -0.11 0.00 0.00 54.58 55.67 2dn5 n ASN 57 Cb 0.65 -0.86 0.50 0.00 1.24 0.00 0.00 39.78 41.30 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 1.15 0.09 -2.46 1.20 -0.04 -1.26 -4.02 135.00 129.66 2dn5 n PRO 58 Ca 0.18 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 2dn5 n PRO 58 Cb 0.15 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.44 6.03 0.00 3.54 2.85 -1.26 -3.79 115.26 121.18 2dn5 n ASN 59 Ca 0.07 -3.23 0.00 0.00 -0.11 0.00 0.00 54.58 51.31 2dn5 n ASN 59 Cb 0.24 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.87 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 2.37 0.00 -0.65 -0.44 5.66 -1.26 -5.15 114.28 114.80 2dn5 n THR 60 Ca 0.40 0.00 -0.26 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 69.24 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 -0.33 -1.81 -4.16 1.09 4.01 -1.25 -5.01 117.16 109.70 2dn5 n TYR 61 Ca 0.00 0.17 -0.23 0.00 -0.16 0.00 0.00 57.90 57.68 2dn5 n TYR 61 Cb 0.00 -1.45 -0.06 0.00 -0.31 0.00 0.00 39.34 37.52 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 -1.75 4.72 0.43 7.72 1.01 -1.26 -4.86 116.67 122.68 2dn5 s ASP 62 Ca 0.42 -0.68 0.30 0.00 0.71 0.00 0.00 52.55 53.29 2dn5 s ASP 62 Cb -0.05 -0.83 1.43 0.00 1.01 0.00 0.00 42.92 44.48 2dn5 s ASP 62 CO 0.49 -0.18 1.60 -0.29 0.21 0.00 0.00 175.17 177.01 2dn5 h ILE 63 N 1.65 0.08 0.00 0.77 2.10 -1.97 0.76 117.51 120.89 2dn5 h ILE 63 Ca -0.44 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2dn5 h ILE 63 Cb 1.25 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2dn5 h ILE 63 CO 0.62 0.01 0.00 1.41 -1.08 0.00 0.00 178.15 179.11 2dn5 n HIS 64 N -4.77 0.00 -0.29 2.19 8.25 -1.26 -1.15 115.22 118.20 2dn5 n HIS 64 Ca 0.38 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.91 2dn5 n HIS 64 Cb 1.46 -0.34 0.17 0.00 1.12 0.00 0.00 29.99 32.40 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 0.06 -0.59 -0.41 3.08 -1.53 0.99 114.38 115.97 2dn5 h ARG 65 Ca 0.00 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2dn5 h ARG 65 Cb 0.00 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 2dn5 h ARG 65 CO 0.00 0.04 0.19 -0.07 -1.07 0.00 0.00 179.97 179.05 2dn5 h LEU 66 N 0.06 0.14 0.31 3.04 3.38 0.40 0.30 115.31 122.93 2dn5 h LEU 66 Ca 0.45 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 2dn5 h LEU 66 Cb 0.80 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dn5 h LEU 66 CO -0.77 0.09 -0.15 -0.33 0.09 0.00 0.00 178.44 177.37 2dn5 h GLU 67 N 0.34 -0.40 -0.76 1.13 4.39 0.20 -1.54 114.58 117.94 2dn5 h GLU 67 Ca 0.30 0.03 0.15 0.00 0.34 0.00 0.00 59.36 60.18 2dn5 h GLU 67 Cb 0.40 0.09 -0.14 0.00 -0.10 0.00 0.00 28.75 29.00 2dn5 h GLU 67 CO -0.34 -0.06 -0.20 0.87 -1.16 0.00 0.00 179.01 178.13 2dn5 h LYS 68 N -0.84 -0.00 0.38 2.33 1.57 0.10 1.52 116.57 121.63 2dn5 h LYS 68 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2dn5 h LYS 68 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2dn5 h LYS 68 CO 0.07 -0.00 -0.29 0.82 -0.57 0.00 0.00 179.45 179.48 2dn5 h ILE 69 N -0.00 0.40 -0.55 1.86 2.04 -0.41 0.66 117.51 121.52 2dn5 h ILE 69 Ca 0.36 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.34 2dn5 h ILE 69 Cb 0.56 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2dn5 h ILE 69 CO -0.79 0.00 0.38 -0.07 0.00 0.00 0.00 178.15 177.67 2dn5 h LEU 70 N -0.66 0.21 -1.15 1.44 3.38 0.30 0.95 115.31 119.78 2dn5 h LEU 70 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2dn5 h LEU 70 Cb 0.57 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2dn5 h LEU 70 CO 0.00 0.12 -0.17 0.11 0.09 0.00 0.00 178.44 178.60 2dn5 h LYS 71 N 0.23 0.00 -0.22 1.13 1.57 0.33 -2.48 116.57 117.14 2dn5 h LYS 71 Ca 0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2dn5 h LYS 71 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2dn5 h LYS 71 CO -0.05 0.17 -0.03 0.00 -0.57 0.00 0.00 179.45 178.97 2dn5 n ALA 72 N -2.19 3.11 0.24 3.86 0.00 0.29 -4.61 120.51 121.21 2dn5 n ALA 72 Ca 0.00 -2.56 0.07 0.00 0.00 0.00 0.00 53.44 50.95 2dn5 n ALA 72 Cb 0.41 -0.64 0.58 0.00 0.00 0.00 0.00 19.45 19.80 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 1.25 0.00 0.00 0.00 0.11 0.21 1.18 114.38 117.14 2dn5 h ARG 73 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2dn5 h ARG 73 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 2dn5 h ARG 73 CO 0.20 0.08 -0.38 0.93 0.10 0.00 0.00 179.97 180.90 2dn5 h GLU 74 N 0.00 0.00 0.10 0.08 5.08 -1.81 -3.31 114.58 114.71 2dn5 h GLU 74 Ca -0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2dn5 h GLU 74 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2dn5 h GLU 74 CO 0.01 0.00 -2.10 0.72 -1.00 0.00 0.00 179.01 176.64 2dn5 n HIS 75 N -2.66 0.99 -1.57 4.33 8.25 0.00 -4.92 115.22 119.65 2dn5 n HIS 75 Ca 0.03 0.21 -0.53 0.00 -0.26 0.00 0.00 57.72 57.16 2dn5 n HIS 75 Cb 0.50 -1.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.42 2dn5 n HIS 75 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dn5 n VAL 76 N -3.44 0.07 -3.75 1.59 0.31 0.39 -4.19 118.33 109.32 2dn5 n VAL 76 Ca -0.35 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 63.83 2dn5 n VAL 76 Cb 1.04 -0.62 -0.14 0.00 -0.91 0.00 0.00 33.84 33.21 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 0.31 0.10 -0.04 5.55 3.52 0.50 -4.90 118.95 123.99 2dn5 s ARG 77 Ca 0.85 0.38 -0.00 0.00 -0.13 0.00 0.00 55.73 56.83 2dn5 s ARG 77 Cb -1.02 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 2dn5 s ARG 77 CO 0.50 -0.16 0.00 -1.64 -0.81 0.00 0.00 175.30 173.19 2dn5 s MET 78 N 1.16 2.89 -0.07 5.12 -1.94 -1.26 -0.44 119.30 124.77 2dn5 s MET 78 Ca -0.09 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 53.37 2dn5 s MET 78 Cb -0.11 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 34.02 2dn5 s MET 78 CO -0.06 0.67 0.00 0.08 -0.01 0.00 0.00 175.02 175.70 2dn5 s VAL 79 N -0.99 0.34 -0.46 -6.03 1.01 0.12 -4.63 120.40 109.76 2dn5 s VAL 79 Ca 0.16 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.00 2dn5 s VAL 79 Cb -0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2dn5 s VAL 79 CO 0.06 0.25 1.68 -0.63 0.00 0.00 0.00 175.10 176.46 2dn5 s ILE 80 N 1.91 3.58 -0.08 2.22 -1.09 -1.26 0.20 121.20 126.68 2dn5 s ILE 80 Ca 0.04 0.52 -0.16 0.00 -2.23 0.00 0.00 60.65 58.82 2dn5 s ILE 80 Cb -0.12 -3.97 -0.12 0.00 -1.58 0.00 0.00 42.46 36.67 2dn5 s ILE 80 CO -0.05 -0.75 0.55 0.40 -1.23 0.00 0.00 174.94 173.87 2dn5 h ILE 81 N 6.69 0.69 -3.30 2.92 1.08 -1.57 -3.46 117.51 120.56 2dn5 h ILE 81 Ca -0.29 -1.29 -0.42 0.00 -0.39 0.00 0.00 64.86 62.47 2dn5 h ILE 81 Cb 1.14 1.24 -0.37 0.00 -3.07 0.00 0.00 36.82 35.76 2dn5 h ILE 81 CO 1.12 0.21 -0.76 0.21 -0.69 0.00 0.00 178.15 178.24 2dn5 s ASN 82 N -5.59 1.35 0.78 1.72 3.84 0.29 -4.95 114.94 112.37 2dn5 s ASN 82 Ca -0.10 -0.06 -0.17 0.00 0.21 0.00 0.00 52.86 52.74 2dn5 s ASN 82 Cb -0.00 -0.38 -0.14 0.00 -0.55 0.00 0.00 41.25 40.17 2dn5 s ASN 82 CO 0.35 -0.18 -0.46 1.67 -2.79 0.00 0.00 177.10 175.69 2dn5 n GLN 83 N 4.96 0.01 0.09 0.43 7.27 -1.26 -4.52 117.38 124.36 2dn5 n GLN 83 Ca -0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.97 2dn5 n GLN 83 Cb 0.50 -1.04 0.00 0.00 2.41 0.00 0.00 30.24 32.11 2dn5 n GLN 83 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2dn5 n SER 84 N 2.88 -0.43 0.00 1.69 3.41 -1.26 -4.98 113.62 114.93 2dn5 n SER 84 Ca 0.03 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2dn5 n SER 84 Cb 0.52 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 2dn5 n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn5 n GLY 85 N 1.10 2.54 3.78 5.00 0.00 -1.26 -5.12 105.19 111.22 2dn5 n GLY 85 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.09 4.23 -0.02 1.61 0.04 -1.26 -5.05 135.00 133.46 2dn5 s PRO 86 Ca 0.00 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.60 2dn5 s PRO 86 Cb 0.00 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.91 2dn5 s PRO 86 CO 0.00 -0.09 0.05 0.45 0.04 0.00 0.00 177.00 177.45 2dn5 s SER 87 N -1.44 0.01 0.41 6.66 0.15 -1.26 -5.00 113.70 113.22 2dn5 s SER 87 Ca 0.56 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2dn5 s SER 87 Cb -0.24 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dn5 s SER 87 CO 0.30 -0.09 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 2dn5 n SER 88 N 3.81 -3.55 -0.73 5.45 2.88 -1.26 -4.80 113.62 115.42 2dn5 n SER 88 Ca -0.22 0.78 0.13 0.00 -1.33 0.00 0.00 58.87 58.22 2dn5 n SER 88 Cb 0.54 3.37 0.30 0.00 -0.75 0.00 0.00 64.21 67.67 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42