#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 5.38 -0.16 1.61 1.04 -1.26 -5.07 113.70 115.24 2dn5 s SER 2 Ca 0.00 -1.60 -0.06 0.00 0.48 0.00 0.00 55.95 54.77 2dn5 s SER 2 Cb 0.00 -1.89 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 2dn5 s SER 2 CO 0.00 -0.48 0.02 -0.44 0.98 0.00 0.00 173.24 173.32 2dn5 s SER 3 N 1.85 5.28 0.00 7.02 0.01 -1.26 -4.85 113.70 121.75 2dn5 s SER 3 Ca 0.03 0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.29 2dn5 s SER 3 Cb -0.22 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2dn5 s SER 3 CO -0.00 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2dn5 n GLY 4 N 3.43 -2.34 2.80 3.44 0.00 -1.26 -5.11 105.19 106.16 2dn5 n GLY 4 Ca -0.17 0.77 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 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 -6.72 0.00 1.61 7.64 -1.26 -5.05 113.62 109.84 2dn5 n SER 5 Ca 0.00 1.23 0.00 0.00 1.01 0.00 0.00 58.87 61.11 2dn5 n SER 5 Cb 0.00 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 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 1.02 0.00 0.04 6.43 3.41 -1.26 -5.06 113.62 118.20 2dn5 n SER 6 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.43 2dn5 n SER 6 Cb 0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 2dn5 n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dn5 h GLY 7 N 0.00 -0.15 -0.62 5.00 0.00 -2.00 -3.24 103.07 102.07 2dn5 h GLY 7 Ca 0.00 0.06 0.16 0.00 0.00 0.00 0.00 47.33 47.54 2dn5 h GLY 7 CO 0.00 -0.05 -0.22 1.41 0.00 0.00 0.00 176.54 177.67 2dn5 h LEU 8 N -0.68 -0.83 -0.58 3.11 3.38 -1.97 0.16 115.31 117.90 2dn5 h LEU 8 Ca -0.01 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2dn5 h LEU 8 Cb 0.52 0.52 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 2dn5 h LEU 8 CO 0.02 -0.27 -0.49 -0.09 0.09 0.00 0.00 178.44 177.71 2dn5 h ARG 9 N -0.02 -0.17 -0.81 1.13 9.65 -1.91 0.59 114.38 122.84 2dn5 h ARG 9 Ca 0.37 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.33 2dn5 h ARG 9 Cb 0.59 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.14 2dn5 h ARG 9 CO -0.82 -0.12 0.49 0.93 2.80 0.00 0.00 179.97 183.25 2dn5 h GLU 10 N -0.18 0.87 -0.47 0.20 4.39 -1.00 -0.08 114.58 118.30 2dn5 h GLU 10 Ca 0.10 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.82 2dn5 h GLU 10 Cb 0.43 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 2dn5 h GLU 10 CO -0.64 0.57 0.11 1.96 -1.16 0.00 0.00 179.01 179.86 2dn5 h GLN 11 N 0.89 0.25 -0.53 2.33 4.20 0.21 0.49 115.11 122.95 2dn5 h GLN 11 Ca 0.36 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 2dn5 h GLN 11 Cb 0.19 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2dn5 h GLN 11 CO -0.18 0.17 0.05 0.28 -0.67 0.00 0.00 178.83 178.48 2dn5 h VAL 12 N 0.26 1.24 0.62 -0.54 2.07 0.91 -0.84 116.25 119.97 2dn5 h VAL 12 Ca 0.23 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 2dn5 h VAL 12 Cb 0.29 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2dn5 h VAL 12 CO -0.28 0.35 -0.50 0.11 0.02 0.00 0.00 177.57 177.27 2dn5 h LYS 13 N 0.82 -1.04 -0.46 1.57 1.57 0.70 -0.16 116.57 119.56 2dn5 h LYS 13 Ca 0.16 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.09 2dn5 h LYS 13 Cb 0.41 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2dn5 h LYS 13 CO 0.01 -0.70 0.32 0.93 -0.57 0.00 0.00 179.45 179.44 2dn5 h GLU 14 N -1.08 0.29 0.43 3.15 4.39 -0.87 -0.76 114.58 120.12 2dn5 h GLU 14 Ca -0.08 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2dn5 h GLU 14 Cb 0.91 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2dn5 h GLU 14 CO 0.01 0.19 -0.24 1.25 -1.16 0.00 0.00 179.01 179.06 2dn5 h LEU 15 N 0.30 -0.60 -0.89 1.33 5.85 -0.19 1.46 115.31 122.57 2dn5 h LEU 15 Ca 0.21 0.03 0.15 0.00 0.84 0.00 0.00 57.88 59.10 2dn5 h LEU 15 Cb 0.44 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.55 2dn5 h LEU 15 CO -0.05 -0.38 0.50 -0.26 -0.34 0.00 0.00 178.44 177.91 2dn5 h PHE 16 N -0.62 0.88 -0.44 1.25 0.04 -0.71 0.95 116.94 118.29 2dn5 h PHE 16 Ca -0.06 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 2dn5 h PHE 16 Cb 0.49 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2dn5 h PHE 16 CO 0.04 0.24 0.05 -0.91 -0.60 0.00 0.00 178.31 177.13 2dn5 h ASN 17 N 0.72 0.72 -0.55 2.17 4.21 -0.94 -1.59 115.58 120.31 2dn5 h ASN 17 Ca 0.48 -0.28 0.04 0.00 1.21 0.00 0.00 56.30 57.76 2dn5 h ASN 17 Cb 0.64 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.61 2dn5 h ASN 17 CO -0.34 0.81 0.30 -0.33 -1.29 0.00 0.00 177.43 176.58 2dn5 h GLU 18 N 0.60 0.56 0.78 0.81 4.39 0.41 -1.22 114.58 120.91 2dn5 h GLU 18 Ca 0.13 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dn5 h GLU 18 Cb 0.42 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2dn5 h GLU 18 CO 0.01 0.37 -0.42 0.87 -1.16 0.00 0.00 179.01 178.69 2dn5 h LYS 19 N 0.58 -1.07 -0.81 2.33 1.79 -0.69 -2.21 116.57 116.50 2dn5 h LYS 19 Ca 0.24 0.07 0.15 0.00 -2.18 0.00 0.00 60.65 58.93 2dn5 h LYS 19 Cb 0.11 0.24 -0.15 0.00 -1.58 0.00 0.00 32.23 30.86 2dn5 h LYS 19 CO -0.15 -0.71 -0.29 -0.92 -1.08 0.00 0.00 179.45 176.31 2dn5 h TYR 20 N -1.11 -0.72 -0.10 -1.35 3.20 -1.01 0.54 116.97 116.41 2dn5 h TYR 20 Ca -0.10 0.08 0.04 0.00 3.14 0.00 0.00 58.73 61.89 2dn5 h TYR 20 Cb 0.87 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 39.52 2dn5 h TYR 20 CO -0.05 -0.38 -0.38 0.78 -1.64 0.00 0.00 178.16 176.49 2dn5 h GLY 21 N -0.04 -0.61 0.82 1.82 0.00 -1.05 1.36 103.07 105.36 2dn5 h GLY 21 Ca 0.35 0.47 0.03 0.00 0.00 0.00 0.00 47.33 48.17 2dn5 h GLY 21 CO -0.85 -0.23 0.21 0.83 0.00 0.00 0.00 176.54 176.50 2dn5 h GLU 22 N -0.47 0.41 -0.41 4.80 5.08 -0.34 0.15 114.58 123.79 2dn5 h GLU 22 Ca 0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2dn5 h GLU 22 Cb 0.60 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dn5 h GLU 22 CO -0.36 0.27 0.19 0.00 -1.00 0.00 0.00 179.01 178.10 2dn5 h ALA 23 N 1.20 1.57 0.00 3.43 0.00 0.81 0.28 119.26 126.55 2dn5 h ALA 23 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dn5 h ALA 23 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2dn5 h ALA 23 CO -0.11 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2dn5 n LEU 24 N -4.40 0.00 -0.26 0.00 4.77 0.46 -4.52 117.00 113.04 2dn5 n LEU 24 Ca 0.03 0.34 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 2dn5 n LEU 24 Cb 0.12 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2dn5 n LEU 24 CO 0.37 -0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 176.86 2dn5 n GLY 25 N 0.18 0.52 2.34 -0.72 0.00 0.99 -5.04 105.19 103.47 2dn5 n GLY 25 Ca 0.07 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.37 0.00 -0.30 0.99 4.77 -0.09 -5.01 117.00 116.99 2dn5 n LEU 26 Ca -0.03 -1.58 0.08 0.00 -0.03 0.00 0.00 56.01 54.45 2dn5 n LEU 26 Cb 0.21 -0.18 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 2dn5 n LEU 26 CO 0.04 -0.57 0.47 0.59 -1.33 0.00 0.00 177.39 176.59 2dn5 n ASN 27 N -2.37 1.91 -3.95 -1.43 3.02 -1.26 -4.26 115.26 106.92 2dn5 n ASN 27 Ca 0.06 -3.15 -0.10 0.00 -0.03 0.00 0.00 54.58 51.37 2dn5 n ASN 27 Cb 0.37 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 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 -2.58 0.37 0.02 3.52 1.70 -1.26 -5.06 118.95 115.66 2dn5 s ARG 28 Ca 0.30 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 2dn5 s ARG 28 Cb 0.28 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.75 2dn5 s ARG 28 CO -0.01 -0.07 1.18 -1.25 -1.08 0.00 0.00 175.30 174.07 2dn5 s PRO 29 N -1.48 4.42 0.00 3.89 0.04 -1.26 -4.12 135.00 136.48 2dn5 s PRO 29 Ca -0.15 1.71 0.07 0.00 0.04 0.00 0.00 61.00 62.67 2dn5 s PRO 29 Cb -0.09 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 2dn5 s PRO 29 CO -0.00 -0.30 -0.23 0.08 0.04 0.00 0.00 177.00 176.59 2dn5 s VAL 30 N 1.42 1.81 0.92 -0.36 1.01 -0.66 -4.88 120.40 119.66 2dn5 s VAL 30 Ca 0.57 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 2dn5 s VAL 30 Cb -0.27 -1.52 0.11 0.00 0.00 0.00 0.00 36.38 34.70 2dn5 s VAL 30 CO 0.27 0.43 0.89 0.18 0.00 0.00 0.00 175.10 176.87 2dn5 n LEU 31 N 2.31 2.13 -4.43 3.92 4.77 -1.26 -4.13 117.00 120.30 2dn5 n LEU 31 Ca -0.16 0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.85 2dn5 n LEU 31 Cb 0.52 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.11 2dn5 n LEU 31 CO 0.23 -2.66 -0.27 -0.69 -1.33 0.00 0.00 177.39 172.67 2dn5 s VAL 32 N -2.52 4.28 -1.14 4.08 1.01 -1.26 -4.93 120.40 119.91 2dn5 s VAL 32 Ca 0.64 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 2dn5 s VAL 32 Cb -0.23 -3.06 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 2dn5 s VAL 32 CO 0.61 0.26 2.50 -0.81 0.00 0.00 0.00 175.10 177.67 2dn5 n PRO 33 N 4.92 2.70 -0.31 2.72 -0.04 -1.26 -4.67 135.00 139.06 2dn5 n PRO 33 Ca -0.16 -1.71 0.13 0.00 -0.04 0.00 0.00 63.50 61.73 2dn5 n PRO 33 Cb 0.51 -2.55 0.27 0.00 -0.04 0.00 0.00 33.50 31.69 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 5.61 0.09 -0.89 0.54 0.05 -1.97 1.04 116.97 121.43 2dn5 h TYR 34 Ca 0.62 0.06 0.23 0.00 0.05 0.00 0.00 58.73 59.69 2dn5 h TYR 34 Cb 0.27 0.11 -0.13 0.00 1.01 0.00 0.00 36.73 37.99 2dn5 h TYR 34 CO 1.91 -0.34 0.36 0.87 -1.05 0.00 0.00 178.16 179.91 2dn5 h LYS 35 N 0.08 0.33 0.26 4.88 1.57 -1.99 1.24 116.57 122.94 2dn5 h LYS 35 Ca 0.56 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.30 2dn5 h LYS 35 Cb 1.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2dn5 h LYS 35 CO -0.79 0.22 -0.13 -0.07 -0.57 0.00 0.00 179.45 178.11 2dn5 h LEU 36 N 0.34 -0.30 -1.60 2.94 3.38 0.66 -2.74 115.31 118.00 2dn5 h LEU 36 Ca 0.56 0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.83 2dn5 h LEU 36 Cb 1.10 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2dn5 h LEU 36 CO -0.56 0.01 0.95 0.40 0.09 0.00 0.00 178.44 179.33 2dn5 h ILE 37 N -0.81 0.18 0.39 1.22 2.04 -0.41 1.59 117.51 121.71 2dn5 h ILE 37 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2dn5 h ILE 37 Cb 0.27 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2dn5 h ILE 37 CO 0.06 0.00 -0.19 -0.09 0.00 0.00 0.00 178.15 177.93 2dn5 h ARG 38 N 0.00 -0.51 0.00 2.37 9.65 0.16 -2.95 114.38 123.10 2dn5 h ARG 38 Ca 0.46 0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.33 2dn5 h ARG 38 Cb 2.36 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 31.04 2dn5 h ARG 38 CO -0.00 -0.20 -0.24 0.22 2.80 0.00 0.00 179.97 182.55 2dn5 h ASP 39 N -0.97 0.00 -3.88 -3.80 3.58 0.07 -3.37 116.42 108.05 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 0.54 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.18 2dn5 h ASP 39 CO 0.09 0.24 -0.69 -0.55 -2.88 0.00 0.00 179.24 175.45 2dn5 s SER 40 N -6.21 4.24 0.18 2.28 0.15 0.50 -4.93 113.70 109.92 2dn5 s SER 40 Ca 0.01 -2.57 0.24 0.00 0.70 0.00 0.00 55.95 54.33 2dn5 s SER 40 Cb 0.10 -1.41 0.91 0.00 -1.71 0.00 0.00 66.02 63.90 2dn5 s SER 40 CO 0.65 -0.29 1.74 -0.81 1.20 0.00 0.00 173.24 175.72 2dn5 n PRO 41 N 3.67 0.18 -1.89 5.44 -0.04 -1.12 -3.14 135.00 138.10 2dn5 n PRO 41 Ca 0.05 0.28 -0.35 0.00 -0.04 0.00 0.00 63.50 63.44 2dn5 n PRO 41 Cb 0.36 -1.77 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 -2.09 6.81 0.00 3.54 8.00 -1.26 -4.46 116.55 127.10 2dn5 n ASP 42 Ca 0.04 -3.80 -0.03 0.00 0.71 0.00 0.00 54.79 51.72 2dn5 n ASP 42 Cb 0.31 -0.87 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 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 -0.64 2.78 -2.80 2.24 0.00 -1.19 -3.74 120.51 117.17 2dn5 n ALA 43 Ca 0.52 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 2dn5 n ALA 43 Cb 0.48 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.08 0.43 -0.19 0.00 1.01 -1.26 -0.15 120.40 118.16 2dn5 s VAL 44 Ca -0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2dn5 s VAL 44 Cb 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2dn5 s VAL 44 CO 0.05 -0.07 0.08 -0.70 0.00 0.00 0.00 175.10 174.46 2dn5 s GLU 45 N -0.64 3.97 -0.16 2.72 2.12 0.52 -4.79 118.70 122.44 2dn5 s GLU 45 Ca -0.03 -0.34 -0.00 0.00 0.36 0.00 0.00 54.97 54.96 2dn5 s GLU 45 Cb -0.05 -3.27 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 2dn5 s GLU 45 CO -0.00 0.21 -0.14 0.08 -0.54 0.00 0.00 175.26 174.87 2dn5 s VAL 46 N 0.55 2.74 0.27 3.70 1.01 -1.26 0.44 120.40 127.85 2dn5 s VAL 46 Ca 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2dn5 s VAL 46 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2dn5 s VAL 46 CO 0.01 0.51 0.34 0.42 0.00 0.00 0.00 175.10 176.38 2dn5 s THR 47 N 0.88 0.00 0.00 3.92 -4.23 0.36 -4.89 115.64 111.68 2dn5 s THR 47 Ca -0.04 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2dn5 s THR 47 Cb -0.15 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.24 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 -0.42 2.90 3.09 3.99 0.00 -1.26 0.18 105.19 113.68 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 -3.75 -4.79 0.99 4.77 -1.26 -3.79 117.00 109.18 2dn5 n LEU 49 Ca 0.00 0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 2dn5 n LEU 49 Cb 0.00 -0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 40.29 2dn5 n LEU 49 CO 0.00 -4.16 0.73 -2.16 -1.33 0.00 0.00 177.39 170.47 2dn5 s PRO 50 N -2.41 4.06 0.60 3.23 0.04 -1.26 -4.92 135.00 134.34 2dn5 s PRO 50 Ca 0.43 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.76 2dn5 s PRO 50 Cb -0.08 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2dn5 s PRO 50 CO 0.73 -0.23 1.29 0.34 0.04 0.00 0.00 177.00 179.18 2dn5 s ASP 51 N -1.66 4.96 -1.24 6.66 2.15 -1.26 -2.37 116.67 123.91 2dn5 s ASP 51 Ca 0.60 2.61 -0.01 0.00 0.43 0.00 0.00 52.55 56.19 2dn5 s ASP 51 Cb -0.21 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2dn5 s ASP 51 CO 0.26 -1.76 0.08 -0.67 -0.17 0.00 0.00 175.17 172.90 2dn5 n ASP 52 N -1.54 -4.55 -3.58 -0.34 2.03 -1.26 -4.99 116.55 102.33 2dn5 n ASP 52 Ca 0.14 -0.05 -0.11 0.00 0.52 0.00 0.00 54.79 55.29 2dn5 n ASP 52 Cb 0.47 -3.64 -0.11 0.00 -0.72 0.00 0.00 41.12 37.13 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 -2.79 -0.54 0.00 5.18 1.01 -1.00 -5.10 121.20 117.96 2dn5 s ILE 53 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2dn5 s ILE 53 Cb -0.02 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2dn5 s ILE 53 CO 0.05 0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.20 2dn5 n PRO 54 N 5.37 0.72 -3.82 2.79 -0.04 -1.26 -4.58 135.00 134.17 2dn5 n PRO 54 Ca -0.06 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 33.81 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 -0.19 2.48 0.17 0.54 5.36 -1.26 -4.94 117.98 120.14 2dn5 s PHE 55 Ca 0.00 -2.46 -0.01 0.00 -0.96 0.00 0.00 56.93 53.49 2dn5 s PHE 55 Cb 0.00 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 2dn5 s PHE 55 CO 0.00 -0.84 0.11 1.03 -1.46 0.00 0.00 175.22 174.06 2dn5 s ARG 56 N 0.76 1.10 0.18 10.12 0.52 -1.26 -5.09 118.95 125.27 2dn5 s ARG 56 Ca 0.14 -1.54 -0.29 0.00 -0.52 0.00 0.00 55.73 53.51 2dn5 s ARG 56 Cb -0.21 0.26 -0.17 0.00 0.52 0.00 0.00 34.95 35.35 2dn5 s ARG 56 CO -0.09 -0.34 0.58 0.27 0.02 0.00 0.00 175.30 175.73 2dn5 n ASN 57 N -0.20 -1.12 0.00 0.23 6.94 -1.26 -4.76 115.26 115.09 2dn5 n ASN 57 Ca -0.01 1.13 0.10 0.00 -0.02 0.00 0.00 54.58 55.78 2dn5 n ASN 57 Cb 0.65 -0.95 0.58 0.00 -2.36 0.00 0.00 39.78 37.70 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2dn5 n PRO 58 N 1.05 0.75 -1.97 -0.53 -0.04 -1.26 -3.70 135.00 129.30 2dn5 n PRO 58 Ca 0.18 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 2dn5 n PRO 58 Cb 0.23 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 -0.91 7.31 0.00 3.54 2.85 -1.26 -4.07 115.26 122.72 2dn5 n ASN 59 Ca 0.15 -3.62 0.00 0.00 -0.11 0.00 0.00 54.58 51.00 2dn5 n ASN 59 Cb 0.07 -1.15 0.00 0.00 1.24 0.00 0.00 39.78 39.94 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 0.03 0.00 -0.82 -0.44 5.66 -1.24 -5.15 114.28 112.32 2dn5 n THR 60 Ca 0.52 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.21 2dn5 n THR 60 Cb 0.31 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 69.17 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 -1.28 -1.43 -3.86 1.09 4.01 -1.26 -5.01 117.16 109.42 2dn5 n TYR 61 Ca 0.00 0.43 -0.25 0.00 -0.16 0.00 0.00 57.90 57.92 2dn5 n TYR 61 Cb 0.00 -1.44 -0.01 0.00 -0.31 0.00 0.00 39.34 37.58 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 -1.38 4.67 0.40 7.72 1.01 -1.26 -4.85 116.67 122.99 2dn5 s ASP 62 Ca 0.40 -1.17 0.15 0.00 0.71 0.00 0.00 52.55 52.64 2dn5 s ASP 62 Cb 0.01 0.22 1.02 0.00 1.01 0.00 0.00 42.92 45.18 2dn5 s ASP 62 CO 0.57 -1.00 1.86 -0.29 0.21 0.00 0.00 175.17 176.52 2dn5 h ILE 63 N 0.84 0.71 0.00 0.77 2.10 -1.97 0.67 117.51 120.62 2dn5 h ILE 63 Ca -0.38 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.40 2dn5 h ILE 63 Cb 1.29 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.23 2dn5 h ILE 63 CO 0.58 0.09 0.00 1.41 -1.08 0.00 0.00 178.15 179.15 2dn5 n HIS 64 N -4.53 0.00 -0.30 2.19 8.25 -1.26 -1.85 115.22 117.72 2dn5 n HIS 64 Ca 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 2dn5 n HIS 64 Cb 0.64 -0.37 0.21 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.80 -0.41 3.08 -1.89 1.44 114.38 115.86 2dn5 h ARG 65 Ca 0.00 -0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2dn5 h ARG 65 Cb 0.00 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 0.04 0.40 -0.07 -1.07 0.00 0.00 179.97 179.27 2dn5 h LEU 66 N 0.07 0.47 -0.01 3.04 3.38 0.26 0.41 115.31 122.94 2dn5 h LEU 66 Ca 0.49 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.47 2dn5 h LEU 66 Cb 0.92 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.69 2dn5 h LEU 66 CO -0.79 0.22 -0.29 -0.33 0.09 0.00 0.00 178.44 177.34 2dn5 h GLU 67 N 0.59 0.21 -0.06 1.13 4.39 0.20 -2.92 114.58 118.12 2dn5 h GLU 67 Ca 0.43 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.94 2dn5 h GLU 67 Cb 0.57 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 2dn5 h GLU 67 CO -0.34 0.93 -0.49 0.87 -1.16 0.00 0.00 179.01 178.82 2dn5 h LYS 68 N -0.44 -0.58 -0.62 2.33 1.57 0.22 0.84 116.57 119.89 2dn5 h LYS 68 Ca -0.03 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2dn5 h LYS 68 Cb 1.03 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.36 2dn5 h LYS 68 CO 0.06 -0.38 -0.11 0.82 -0.57 0.00 0.00 179.45 179.26 2dn5 h ILE 69 N -0.60 0.41 -0.52 1.86 2.04 -0.32 0.93 117.51 121.30 2dn5 h ILE 69 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2dn5 h ILE 69 Cb 0.68 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 2dn5 h ILE 69 CO -0.38 0.01 0.35 -0.07 0.00 0.00 0.00 178.15 178.05 2dn5 h LEU 70 N 0.03 0.60 -1.32 1.44 3.38 -0.92 0.59 115.31 119.11 2dn5 h LEU 70 Ca 0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 2dn5 h LEU 70 Cb 0.48 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dn5 h LEU 70 CO -0.61 0.44 -0.12 0.11 0.09 0.00 0.00 178.44 178.34 2dn5 h LYS 71 N 0.71 0.00 -0.26 1.13 1.57 0.76 -2.12 116.57 118.37 2dn5 h LYS 71 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2dn5 h LYS 71 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2dn5 h LYS 71 CO -0.04 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 2dn5 n ALA 72 N -2.17 2.83 0.13 3.86 0.00 0.11 -4.58 120.51 120.69 2dn5 n ALA 72 Ca 0.00 -2.14 0.07 0.00 0.00 0.00 0.00 53.44 51.38 2dn5 n ALA 72 Cb 0.36 -0.65 0.55 0.00 0.00 0.00 0.00 19.45 19.72 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 1.74 0.22 0.00 0.00 0.11 0.72 1.51 114.38 118.67 2dn5 h ARG 73 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2dn5 h ARG 73 Cb 1.31 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2dn5 h ARG 73 CO 0.18 0.15 -0.22 0.93 0.10 0.00 0.00 179.97 181.10 2dn5 h GLU 74 N 0.23 0.00 0.10 0.08 5.08 -1.81 -3.30 114.58 114.96 2dn5 h GLU 74 Ca 0.08 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.09 2dn5 h GLU 74 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2dn5 h GLU 74 CO -0.02 0.00 -1.96 0.72 -1.00 0.00 0.00 179.01 176.75 2dn5 n HIS 75 N -2.97 1.14 -1.60 4.33 8.25 0.32 -4.91 115.22 119.79 2dn5 n HIS 75 Ca 0.03 0.27 -0.51 0.00 -0.26 0.00 0.00 57.72 57.25 2dn5 n HIS 75 Cb 0.53 -1.15 -0.05 0.00 1.12 0.00 0.00 29.99 30.44 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 -3.58 0.11 -3.78 1.59 0.31 0.49 -4.10 118.33 109.37 2dn5 n VAL 76 Ca -0.33 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 63.85 2dn5 n VAL 76 Cb 1.00 -0.92 -0.12 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.43 0.27 0.00 5.55 3.52 0.49 -4.89 118.95 124.32 2dn5 s ARG 77 Ca 0.82 0.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 2dn5 s ARG 77 Cb -0.90 0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 32.54 2dn5 s ARG 77 CO 0.46 -0.06 -0.04 -1.64 -0.81 0.00 0.00 175.30 173.21 2dn5 s MET 78 N 0.35 2.64 -0.06 5.12 -1.94 -1.26 -0.49 119.30 123.66 2dn5 s MET 78 Ca -0.02 -0.68 -0.01 0.00 -1.71 0.00 0.00 55.69 53.26 2dn5 s MET 78 Cb -0.03 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.27 2dn5 s MET 78 CO -0.01 0.61 0.01 0.08 -0.01 0.00 0.00 175.02 175.70 2dn5 s VAL 79 N -1.04 0.28 -0.41 -6.03 1.01 0.17 -4.59 120.40 109.79 2dn5 s VAL 79 Ca 0.18 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 2dn5 s VAL 79 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2dn5 s VAL 79 CO 0.09 0.24 1.85 -0.63 0.00 0.00 0.00 175.10 176.65 2dn5 s ILE 80 N 1.96 3.41 -0.12 2.22 -1.09 -1.26 0.20 121.20 126.53 2dn5 s ILE 80 Ca 0.04 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.56 2dn5 s ILE 80 Cb -0.12 -3.68 -0.26 0.00 -1.58 0.00 0.00 42.46 36.82 2dn5 s ILE 80 CO -0.05 -0.51 0.83 0.40 -1.23 0.00 0.00 174.94 174.38 2dn5 h ILE 81 N 6.88 1.73 -1.57 2.92 1.08 -1.52 -3.45 117.51 123.59 2dn5 h ILE 81 Ca -0.31 -2.26 -0.21 0.00 -0.39 0.00 0.00 64.86 61.69 2dn5 h ILE 81 Cb 1.17 3.26 -0.27 0.00 -3.07 0.00 0.00 36.82 37.92 2dn5 h ILE 81 CO 1.09 0.59 -0.56 0.21 -0.69 0.00 0.00 178.15 178.79 2dn5 s ASN 82 N -6.26 0.06 1.19 1.72 3.84 0.79 -4.93 114.94 111.35 2dn5 s ASN 82 Ca -0.18 -0.89 -0.14 0.00 0.21 0.00 0.00 52.86 51.86 2dn5 s ASN 82 Cb -0.02 1.18 0.29 0.00 -0.55 0.00 0.00 41.25 42.15 2dn5 s ASN 82 CO 0.70 -0.27 1.02 0.00 -2.79 0.00 0.00 177.10 175.77 2dn5 s GLN 83 N 1.98 -1.10 0.15 0.43 -2.07 -1.26 -4.43 119.66 113.36 2dn5 s GLN 83 Ca 0.14 0.66 0.00 0.00 -1.82 0.00 0.00 55.36 54.34 2dn5 s GLN 83 Cb -0.11 -1.55 0.00 0.00 -1.09 0.00 0.00 33.01 30.26 2dn5 s GLN 83 CO -0.14 -3.79 0.00 0.45 -1.32 0.00 0.00 175.29 170.48 2dn5 n SER 84 N -4.94 -1.20 -3.84 12.60 2.88 -1.26 -5.08 113.62 112.78 2dn5 n SER 84 Ca 0.04 0.28 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 2dn5 n SER 84 Cb 0.56 1.41 -0.08 0.00 -0.75 0.00 0.00 64.21 65.35 2dn5 n SER 84 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn5 s GLY 85 N -2.42 0.05 -0.03 0.46 0.00 -1.26 -5.09 107.32 99.02 2dn5 s GLY 85 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 2dn5 s GLY 85 CO 0.00 -0.61 0.33 -0.56 0.00 0.00 0.00 173.10 172.26 2dn5 h PRO 86 N 3.07 -0.19 -3.34 2.90 0.13 -2.03 -3.51 132.00 129.04 2dn5 h PRO 86 Ca -0.33 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dn5 h PRO 86 Cb 1.20 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2dn5 h PRO 86 CO 0.52 -0.12 -0.49 0.45 -0.23 0.00 0.00 178.00 178.12 2dn5 n SER 87 N -3.71 -5.19 -3.63 1.44 2.88 -1.26 -5.01 113.62 99.14 2dn5 n SER 87 Ca -0.02 0.86 -0.16 0.00 -1.33 0.00 0.00 58.87 58.22 2dn5 n SER 87 Cb 0.08 -3.00 -0.07 0.00 -0.75 0.00 0.00 64.21 60.47 2dn5 n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn5 s SER 88 N -0.29 -0.45 0.00 -3.46 0.01 -1.26 -4.75 113.70 103.51 2dn5 s SER 88 Ca -0.01 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2dn5 s SER 88 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2dn5 s SER 88 CO 0.03 -0.53 0.27 0.61 0.41 0.00 0.00 173.24 174.03