#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 0.60 0.03 1.61 0.15 -1.26 -5.16 113.70 109.68 2dn5 s SER 2 Ca 0.00 -1.13 0.04 0.00 0.70 0.00 0.00 55.95 55.56 2dn5 s SER 2 Cb 0.00 0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2dn5 s SER 2 CO 0.00 -0.64 -0.05 -0.55 1.20 0.00 0.00 173.24 173.20 2dn5 s SER 3 N -3.04 4.75 0.00 5.45 0.15 -1.26 -4.97 113.70 114.79 2dn5 s SER 3 Ca 0.18 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dn5 s SER 3 Cb 0.07 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2dn5 s SER 3 CO -0.02 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2dn5 n GLY 4 N 1.21 0.39 3.15 9.45 0.00 -1.26 -5.04 105.19 113.09 2dn5 n GLY 4 Ca -0.14 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.40 2dn5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn5 s SER 5 N -4.00 -1.57 -0.59 1.61 0.15 -1.26 -5.10 113.70 102.94 2dn5 s SER 5 Ca 0.00 0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.60 2dn5 s SER 5 Cb 0.00 2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 66.27 2dn5 s SER 5 CO 0.00 -0.29 2.10 -0.44 1.20 0.00 0.00 173.24 175.81 2dn5 s SER 6 N 2.84 4.88 -0.10 5.45 0.01 -1.26 -4.66 113.70 120.86 2dn5 s SER 6 Ca 0.11 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.87 2dn5 s SER 6 Cb -0.10 -2.52 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2dn5 s SER 6 CO -0.26 -2.66 -0.12 0.61 0.41 0.00 0.00 173.24 171.22 2dn5 n GLY 7 N 5.93 -0.16 0.31 3.44 0.00 -1.26 -4.63 105.19 108.83 2dn5 n GLY 7 Ca 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.31 -0.82 -0.79 0.99 3.38 -1.97 0.19 115.31 115.99 2dn5 h LEU 8 Ca -0.25 0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2dn5 h LEU 8 Cb 1.24 0.52 -0.11 0.00 0.09 0.00 0.00 40.66 42.39 2dn5 h LEU 8 CO -0.14 -0.27 -0.54 -0.09 0.09 0.00 0.00 178.44 177.49 2dn5 h ARG 9 N -0.02 -0.13 -0.70 1.13 9.65 -1.90 0.87 114.38 123.29 2dn5 h ARG 9 Ca 0.37 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.25 2dn5 h ARG 9 Cb 0.58 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.16 2dn5 h ARG 9 CO -0.82 -0.09 0.42 0.93 2.80 0.00 0.00 179.97 183.22 2dn5 h GLU 10 N -0.13 0.94 -0.47 0.20 4.39 -1.11 -0.31 114.58 118.08 2dn5 h GLU 10 Ca 0.16 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.85 2dn5 h GLU 10 Cb 0.50 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 2dn5 h GLU 10 CO -0.82 0.67 0.12 1.96 -1.16 0.00 0.00 179.01 179.78 2dn5 h GLN 11 N 0.95 0.26 -0.56 2.33 4.20 0.23 0.37 115.11 122.90 2dn5 h GLN 11 Ca 0.25 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 2dn5 h GLN 11 Cb -0.04 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2dn5 h GLN 11 CO -0.05 0.17 0.05 0.28 -0.67 0.00 0.00 178.83 178.61 2dn5 h VAL 12 N 0.27 1.25 0.35 -0.54 2.07 0.10 -0.89 116.25 118.86 2dn5 h VAL 12 Ca 0.23 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2dn5 h VAL 12 Cb 0.28 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2dn5 h VAL 12 CO -0.28 0.37 -0.40 0.11 0.02 0.00 0.00 177.57 177.39 2dn5 h LYS 13 N 0.86 -0.75 -0.27 1.57 1.57 0.61 0.05 116.57 120.21 2dn5 h LYS 13 Ca 0.17 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2dn5 h LYS 13 Cb 0.44 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2dn5 h LYS 13 CO 0.02 -0.50 0.18 0.93 -0.57 0.00 0.00 179.45 179.51 2dn5 h GLU 14 N -0.78 0.30 0.19 3.15 5.08 -0.87 -0.91 114.58 120.74 2dn5 h GLU 14 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2dn5 h GLU 14 Cb 0.71 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2dn5 h GLU 14 CO -0.09 0.20 -0.10 1.25 -1.00 0.00 0.00 179.01 179.26 2dn5 h LEU 15 N 0.31 -0.25 -1.22 1.33 5.85 0.07 1.41 115.31 122.81 2dn5 h LEU 15 Ca 0.10 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.04 2dn5 h LEU 15 Cb 0.04 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 2dn5 h LEU 15 CO -0.02 -0.17 0.62 -0.26 -0.34 0.00 0.00 178.44 178.27 2dn5 h PHE 16 N -0.27 0.84 -0.42 1.25 0.04 -0.87 0.35 116.94 117.86 2dn5 h PHE 16 Ca -0.03 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 2dn5 h PHE 16 Cb 0.21 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2dn5 h PHE 16 CO 0.12 0.19 -0.30 -0.91 -0.60 0.00 0.00 178.31 176.81 2dn5 h ASN 17 N 0.61 0.98 -0.25 2.17 4.21 -0.93 -1.95 115.58 120.42 2dn5 h ASN 17 Ca 0.54 -0.41 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2dn5 h ASN 17 Cb 1.05 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.96 2dn5 h ASN 17 CO -0.30 1.20 0.13 -0.33 -1.29 0.00 0.00 177.43 176.84 2dn5 h GLU 18 N 0.79 0.36 0.05 0.81 4.39 0.57 0.18 114.58 121.74 2dn5 h GLU 18 Ca 0.08 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2dn5 h GLU 18 Cb 0.88 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2dn5 h GLU 18 CO 0.08 0.36 -0.14 0.87 -1.16 0.00 0.00 179.01 179.01 2dn5 h LYS 19 N 0.28 -0.26 -0.60 2.33 1.79 -0.74 -2.09 116.57 117.29 2dn5 h LYS 19 Ca 0.09 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.69 2dn5 h LYS 19 Cb 0.11 0.06 -0.11 0.00 -1.58 0.00 0.00 32.23 30.70 2dn5 h LYS 19 CO -0.01 -0.17 -0.17 -0.92 -1.08 0.00 0.00 179.45 177.10 2dn5 h TYR 20 N -0.27 -0.37 0.05 -1.35 3.20 -1.17 0.37 116.97 117.43 2dn5 h TYR 20 Ca 0.03 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.98 2dn5 h TYR 20 Cb 0.30 0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 2dn5 h TYR 20 CO -0.17 -0.27 -0.38 0.78 -1.64 0.00 0.00 178.16 176.47 2dn5 h GLY 21 N -0.02 -0.71 0.73 1.82 0.00 -0.88 0.75 103.07 104.77 2dn5 h GLY 21 Ca 0.28 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.14 2dn5 h GLY 21 CO -0.62 -0.25 0.64 0.83 0.00 0.00 0.00 176.54 177.13 2dn5 h GLU 22 N -0.57 1.12 -0.61 4.80 5.08 -0.62 0.04 114.58 123.81 2dn5 h GLU 22 Ca 0.04 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2dn5 h GLU 22 Cb 0.63 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2dn5 h GLU 22 CO -0.27 0.74 0.12 0.00 -1.00 0.00 0.00 179.01 178.60 2dn5 h ALA 23 N 1.45 1.06 0.00 3.43 0.00 0.78 -0.07 119.26 125.91 2dn5 h ALA 23 Ca 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dn5 h ALA 23 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dn5 h ALA 23 CO -0.18 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2dn5 n LEU 24 N -4.24 0.00 0.00 0.00 4.77 0.25 -4.59 117.00 113.19 2dn5 n LEU 24 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2dn5 n LEU 24 Cb 0.26 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2dn5 n LEU 24 CO 0.42 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2dn5 n GLY 25 N 0.05 0.51 3.50 -0.72 0.00 -0.04 -4.64 105.19 103.85 2dn5 n GLY 25 Ca 0.05 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.20 0.99 4.77 -0.17 -4.98 117.00 117.40 2dn5 n LEU 26 Ca 0.00 -1.79 0.09 0.00 -0.03 0.00 0.00 56.01 54.28 2dn5 n LEU 26 Cb 0.00 -0.65 0.16 0.00 -2.33 0.00 0.00 43.42 40.60 2dn5 n LEU 26 CO 0.00 -1.02 0.52 0.59 -1.33 0.00 0.00 177.39 176.15 2dn5 n ASN 27 N -3.08 2.21 -3.97 -1.43 3.02 -1.26 -4.18 115.26 106.56 2dn5 n ASN 27 Ca 0.15 -3.28 -0.09 0.00 -0.03 0.00 0.00 54.58 51.33 2dn5 n ASN 27 Cb 0.53 -0.45 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.96 0.46 0.20 3.52 1.70 -1.26 -5.06 118.95 115.55 2dn5 s ARG 28 Ca 0.34 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 2dn5 s ARG 28 Cb 0.30 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.78 2dn5 s ARG 28 CO 0.01 -0.10 1.11 -1.25 -1.08 0.00 0.00 175.30 173.99 2dn5 s PRO 29 N -2.21 4.59 -0.01 3.89 0.04 -1.26 -4.09 135.00 135.95 2dn5 s PRO 29 Ca -0.09 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2dn5 s PRO 29 Cb -0.04 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 2dn5 s PRO 29 CO -0.03 0.08 -0.13 0.08 0.04 0.00 0.00 177.00 177.04 2dn5 s VAL 30 N -0.38 1.02 0.88 -0.36 1.01 -0.02 -4.90 120.40 117.65 2dn5 s VAL 30 Ca 0.49 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 2dn5 s VAL 30 Cb -0.30 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.29 2dn5 s VAL 30 CO 0.36 0.27 0.80 0.18 0.00 0.00 0.00 175.10 176.71 2dn5 n LEU 31 N 2.71 1.90 -4.43 3.92 4.77 -1.26 -4.13 117.00 120.47 2dn5 n LEU 31 Ca -0.14 0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.91 2dn5 n LEU 31 Cb 0.55 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 2dn5 n LEU 31 CO 0.24 -2.74 -0.27 -0.69 -1.33 0.00 0.00 177.39 172.60 2dn5 s VAL 32 N -2.34 4.30 -1.21 4.08 1.01 -1.26 -4.94 120.40 120.04 2dn5 s VAL 32 Ca 0.64 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 2dn5 s VAL 32 Cb -0.25 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 2dn5 s VAL 32 CO 0.60 0.29 2.43 -0.81 0.00 0.00 0.00 175.10 177.60 2dn5 n PRO 33 N 4.92 2.71 -0.33 2.72 -0.04 -1.26 -4.66 135.00 139.06 2dn5 n PRO 33 Ca -0.16 -1.83 0.20 0.00 -0.04 0.00 0.00 63.50 61.67 2dn5 n PRO 33 Cb 0.51 -2.66 0.42 0.00 -0.04 0.00 0.00 33.50 31.72 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 5.90 0.81 -0.51 0.54 0.05 -1.97 0.52 116.97 122.31 2dn5 h TYR 34 Ca 0.64 0.04 0.10 0.00 0.05 0.00 0.00 58.73 59.56 2dn5 h TYR 34 Cb 0.27 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 37.72 2dn5 h TYR 34 CO 1.85 -0.14 -0.01 -0.22 -1.05 0.00 0.00 178.16 178.60 2dn5 h LYS 35 N 0.34 0.11 0.38 4.88 3.64 -1.99 1.06 116.57 124.99 2dn5 h LYS 35 Ca 0.68 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.03 2dn5 h LYS 35 Cb 1.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2dn5 h LYS 35 CO -0.60 0.07 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.40 2dn5 h LEU 36 N 0.11 -0.43 -1.18 5.20 3.38 -0.44 -2.66 115.31 119.29 2dn5 h LEU 36 Ca 0.26 0.01 0.40 0.00 0.09 0.00 0.00 57.88 58.64 2dn5 h LEU 36 Cb 0.40 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 2dn5 h LEU 36 CO -0.44 -0.19 0.69 0.40 0.09 0.00 0.00 178.44 178.99 2dn5 h ILE 37 N -0.74 0.14 0.64 1.22 2.04 -0.82 1.54 117.51 121.52 2dn5 h ILE 37 Ca -0.05 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2dn5 h ILE 37 Cb 0.39 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2dn5 h ILE 37 CO 0.09 0.02 -0.46 -0.09 0.00 0.00 0.00 178.15 177.71 2dn5 h ARG 38 N 0.13 -1.01 -0.19 2.37 9.65 0.13 -1.33 114.38 124.13 2dn5 h ARG 38 Ca 0.80 0.07 -0.08 0.00 -1.10 0.00 0.00 59.98 59.67 2dn5 h ARG 38 Cb 2.23 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 31.03 2dn5 h ARG 38 CO -0.57 -0.67 -0.24 -0.44 2.80 0.00 0.00 179.97 180.85 2dn5 h ASP 39 N -1.05 0.34 -4.29 -3.80 3.32 -0.07 -3.34 116.42 107.53 2dn5 h ASP 39 Ca -0.09 -0.10 -0.66 0.00 0.02 0.00 0.00 57.03 56.20 2dn5 h ASP 39 Cb 0.86 -0.09 -0.39 0.00 0.22 0.00 0.00 39.33 39.93 2dn5 h ASP 39 CO 0.05 0.59 -0.53 -0.55 -1.72 0.00 0.00 179.24 177.07 2dn5 s SER 40 N -6.84 4.64 0.00 6.45 0.15 0.49 -4.90 113.70 113.68 2dn5 s SER 40 Ca -0.06 -2.99 0.23 0.00 0.70 0.00 0.00 55.95 53.83 2dn5 s SER 40 Cb 0.14 -1.71 1.12 0.00 -1.71 0.00 0.00 66.02 63.86 2dn5 s SER 40 CO 0.77 -0.27 1.73 -0.81 1.20 0.00 0.00 173.24 175.86 2dn5 n PRO 41 N 3.19 0.29 -0.98 5.44 -0.04 -0.54 -2.49 135.00 139.87 2dn5 n PRO 41 Ca 0.06 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 2dn5 n PRO 41 Cb 0.34 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 2dn5 n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dn5 n ASP 42 N -1.31 2.95 -0.12 3.54 2.03 -1.26 -4.49 116.55 117.90 2dn5 n ASP 42 Ca 0.10 -3.73 -0.22 0.00 0.52 0.00 0.00 54.79 51.47 2dn5 n ASP 42 Cb 0.19 -0.72 -0.07 0.00 -0.72 0.00 0.00 41.12 39.80 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 -1.14 1.21 -2.77 -1.67 0.00 -1.04 -3.37 120.51 111.73 2dn5 n ALA 43 Ca 0.44 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 2dn5 n ALA 43 Cb 1.29 0.12 -0.14 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.60 0.40 -0.17 0.00 1.01 -1.26 -0.49 120.40 117.29 2dn5 s VAL 44 Ca -0.34 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 2dn5 s VAL 44 Cb 0.11 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 2dn5 s VAL 44 CO 0.44 0.06 0.13 -0.70 0.00 0.00 0.00 175.10 175.04 2dn5 s GLU 45 N -0.25 3.90 -0.12 2.72 -6.30 0.51 -4.82 118.70 114.34 2dn5 s GLU 45 Ca 0.01 -0.20 0.03 0.00 -2.50 0.00 0.00 54.97 52.31 2dn5 s GLU 45 Cb -0.03 -3.32 0.01 0.00 0.00 0.00 0.00 34.13 30.79 2dn5 s GLU 45 CO -0.00 0.47 -0.22 0.08 0.02 0.00 0.00 175.26 175.61 2dn5 s VAL 46 N -0.15 2.01 0.24 3.70 1.01 -1.26 0.30 120.40 126.25 2dn5 s VAL 46 Ca 0.10 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2dn5 s VAL 46 Cb -0.11 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 2dn5 s VAL 46 CO 0.00 0.54 0.32 0.42 0.00 0.00 0.00 175.10 176.39 2dn5 s THR 47 N 0.60 0.00 0.00 3.92 -4.23 0.52 -4.88 115.64 111.56 2dn5 s THR 47 Ca -0.13 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2dn5 s THR 47 Cb -0.17 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2dn5 s THR 47 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2dn5 n GLY 48 N -0.36 3.08 3.21 3.99 0.00 -1.26 0.19 105.19 114.05 2dn5 n GLY 48 Ca 0.01 0.00 -0.35 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 -2.69 -4.80 0.99 4.77 -1.26 -3.93 117.00 110.08 2dn5 n LEU 49 Ca 0.00 0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.79 2dn5 n LEU 49 Cb 0.00 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2dn5 n LEU 49 CO 0.00 -4.03 0.72 -2.16 -1.33 0.00 0.00 177.39 170.58 2dn5 s PRO 50 N -2.91 3.79 0.63 3.23 0.04 -1.26 -4.96 135.00 133.57 2dn5 s PRO 50 Ca 0.49 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 2dn5 s PRO 50 Cb -0.14 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2dn5 s PRO 50 CO 0.71 -0.44 1.24 0.34 0.04 0.00 0.00 177.00 178.89 2dn5 s ASP 51 N -2.00 4.84 -1.37 6.66 2.15 -1.26 -2.59 116.67 123.10 2dn5 s ASP 51 Ca 0.67 2.47 -0.03 0.00 0.43 0.00 0.00 52.55 56.09 2dn5 s ASP 51 Cb -0.16 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 2dn5 s ASP 51 CO 0.20 -1.84 0.40 -0.67 -0.17 0.00 0.00 175.17 173.09 2dn5 n ASP 52 N -1.87 -5.39 -3.61 -0.34 2.03 -1.26 -4.98 116.55 101.13 2dn5 n ASP 52 Ca 0.14 -0.19 -0.10 0.00 0.52 0.00 0.00 54.79 55.17 2dn5 n ASP 52 Cb 0.49 -4.28 -0.10 0.00 -0.72 0.00 0.00 41.12 36.51 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 -3.04 -0.60 0.00 5.18 1.01 -1.07 -5.09 121.20 117.60 2dn5 s ILE 53 Ca 0.20 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2dn5 s ILE 53 Cb -0.09 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2dn5 s ILE 53 CO 0.24 0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.42 2dn5 n PRO 54 N 5.38 0.55 -3.74 2.79 -0.04 -1.26 -4.62 135.00 134.06 2dn5 n PRO 54 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 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 -0.30 2.07 0.28 0.54 5.36 -1.26 -4.94 117.98 119.73 2dn5 s PHE 55 Ca 0.00 -2.36 0.03 0.00 -0.96 0.00 0.00 56.93 53.64 2dn5 s PHE 55 Cb 0.00 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 2dn5 s PHE 55 CO 0.00 -0.81 0.24 1.03 -1.46 0.00 0.00 175.22 174.23 2dn5 s ARG 56 N 0.59 1.55 0.12 10.12 0.52 -1.26 -5.07 118.95 125.52 2dn5 s ARG 56 Ca 0.16 -1.82 -0.31 0.00 -0.52 0.00 0.00 55.73 53.23 2dn5 s ARG 56 Cb -0.23 0.32 -0.17 0.00 0.52 0.00 0.00 34.95 35.38 2dn5 s ARG 56 CO -0.05 -0.56 0.70 -1.71 0.02 0.00 0.00 175.30 173.70 2dn5 n ASN 57 N -1.00 -0.77 0.00 0.23 2.85 -1.26 -4.78 115.26 110.54 2dn5 n ASN 57 Ca 0.05 1.10 0.11 0.00 -0.11 0.00 0.00 54.58 55.73 2dn5 n ASN 57 Cb 0.64 -0.91 0.51 0.00 1.24 0.00 0.00 39.78 41.26 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 1.14 0.14 -2.41 1.20 -0.04 -1.26 -4.04 135.00 129.73 2dn5 n PRO 58 Ca 0.18 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 2dn5 n PRO 58 Cb 0.18 -1.50 0.00 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 -1.41 5.91 0.00 3.54 2.85 -1.26 -3.75 115.26 121.15 2dn5 n ASN 59 Ca 0.08 -3.19 0.00 0.00 -0.11 0.00 0.00 54.58 51.35 2dn5 n ASN 59 Cb 0.22 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 39.83 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 2.56 0.00 -0.54 -0.44 5.66 -1.26 -5.15 114.28 115.10 2dn5 n THR 60 Ca 0.41 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.22 2dn5 n THR 60 Cb 0.33 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.35 -2.28 -4.17 1.09 4.01 -1.25 -5.02 117.16 109.19 2dn5 n TYR 61 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2dn5 n TYR 61 Cb 0.00 -1.40 -0.07 0.00 -0.31 0.00 0.00 39.34 37.56 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 -1.96 4.39 0.29 7.72 2.15 -1.26 -4.86 116.67 123.14 2dn5 s ASP 62 Ca 0.38 -1.12 0.03 0.00 0.43 0.00 0.00 52.55 52.26 2dn5 s ASP 62 Cb -0.06 -0.41 0.73 0.00 -0.30 0.00 0.00 42.92 42.88 2dn5 s ASP 62 CO 0.37 -0.57 1.66 -0.29 -0.17 0.00 0.00 175.17 176.17 2dn5 h ILE 63 N 1.42 0.36 0.00 4.11 2.10 -1.97 1.22 117.51 124.74 2dn5 h ILE 63 Ca -0.43 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.42 2dn5 h ILE 63 Cb 1.26 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 2dn5 h ILE 63 CO 0.70 0.05 0.00 1.41 -1.08 0.00 0.00 178.15 179.23 2dn5 n HIS 64 N -5.17 0.00 -0.24 2.19 8.25 -1.26 -0.72 115.22 118.27 2dn5 n HIS 64 Ca 0.22 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 2dn5 n HIS 64 Cb 0.69 -0.36 0.06 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.05 -0.88 -0.41 3.08 -1.80 1.43 114.38 115.74 2dn5 h ARG 65 Ca 0.00 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.25 2dn5 h ARG 65 Cb 0.00 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 -0.03 0.41 -0.07 -1.07 0.00 0.00 179.97 179.20 2dn5 h LEU 66 N -0.05 0.39 -0.00 3.04 3.38 0.15 0.59 115.31 122.80 2dn5 h LEU 66 Ca 0.31 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.38 2dn5 h LEU 66 Cb 0.54 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2dn5 h LEU 66 CO -0.73 0.06 -0.14 -0.33 0.09 0.00 0.00 178.44 177.38 2dn5 h GLU 67 N 0.46 0.10 -0.37 1.13 4.39 0.26 -2.77 114.58 117.79 2dn5 h GLU 67 Ca 0.53 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 60.21 2dn5 h GLU 67 Cb 0.96 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.55 2dn5 h GLU 67 CO -0.48 0.86 -0.29 0.87 -1.16 0.00 0.00 179.01 178.80 2dn5 h LYS 68 N -0.61 -0.23 -0.28 2.33 1.57 0.30 1.52 116.57 121.16 2dn5 h LYS 68 Ca -0.02 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2dn5 h LYS 68 Cb 0.90 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 33.20 2dn5 h LYS 68 CO 0.03 -0.15 -0.13 0.82 -0.57 0.00 0.00 179.45 179.44 2dn5 h ILE 69 N -0.24 0.59 -0.18 1.86 2.04 0.03 0.26 117.51 121.87 2dn5 h ILE 69 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2dn5 h ILE 69 Cb 0.51 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2dn5 h ILE 69 CO -0.50 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 177.62 2dn5 h LEU 70 N -0.09 0.23 0.00 1.44 3.38 -0.74 0.39 115.31 119.92 2dn5 h LEU 70 Ca 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dn5 h LEU 70 Cb 0.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dn5 h LEU 70 CO -0.34 0.24 0.00 0.29 0.09 0.00 0.00 178.44 178.72 2dn5 n LYS 71 N -4.43 0.19 -0.33 1.13 5.02 0.50 -2.21 118.16 118.03 2dn5 n LYS 71 Ca -0.00 0.10 0.06 0.00 -2.02 0.00 0.00 58.31 56.45 2dn5 n LYS 71 Cb 0.14 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.75 2dn5 n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dn5 n ALA 72 N -1.37 2.34 0.03 7.82 0.00 0.12 -4.75 120.51 124.69 2dn5 n ALA 72 Ca 0.08 -2.21 0.04 0.00 0.00 0.00 0.00 53.44 51.35 2dn5 n ALA 72 Cb 0.20 -0.43 0.43 0.00 0.00 0.00 0.00 19.45 19.65 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 0.16 0.47 0.00 0.00 0.11 -0.46 1.55 114.38 116.21 2dn5 h ARG 73 Ca -0.01 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2dn5 h ARG 73 Cb 1.17 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2dn5 h ARG 73 CO 0.01 0.35 -0.24 0.93 0.10 0.00 0.00 179.97 181.12 2dn5 h GLU 74 N 0.48 0.00 0.07 0.08 5.08 -1.85 -3.29 114.58 115.15 2dn5 h GLU 74 Ca 0.13 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.12 2dn5 h GLU 74 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2dn5 h GLU 74 CO -0.02 0.00 -2.10 0.72 -1.00 0.00 0.00 179.01 176.61 2dn5 n HIS 75 N -2.51 0.85 -1.64 4.33 8.25 0.04 -4.91 115.22 119.62 2dn5 n HIS 75 Ca 0.04 0.20 -0.48 0.00 -0.26 0.00 0.00 57.72 57.22 2dn5 n HIS 75 Cb 0.47 -1.12 -0.05 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 -3.33 0.09 -3.78 1.59 0.31 0.51 -4.03 118.33 109.69 2dn5 n VAL 76 Ca -0.33 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 2dn5 n VAL 76 Cb 1.04 -1.28 -0.13 0.00 -0.91 0.00 0.00 33.84 32.55 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 0.64 0.15 -0.02 5.55 6.06 0.50 -4.90 118.95 126.93 2dn5 s ARG 77 Ca 0.80 0.30 0.02 0.00 -2.50 0.00 0.00 55.73 54.35 2dn5 s ARG 77 Cb -0.77 -0.03 -0.03 0.00 0.06 0.00 0.00 34.95 34.17 2dn5 s ARG 77 CO 0.42 -0.09 -0.05 -1.64 -2.50 0.00 0.00 175.30 171.44 2dn5 s MET 78 N 0.60 2.68 -0.07 5.12 -1.94 -1.26 -0.36 119.30 124.07 2dn5 s MET 78 Ca -0.04 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 2dn5 s MET 78 Cb -0.06 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.23 2dn5 s MET 78 CO -0.03 0.63 -0.01 0.08 -0.01 0.00 0.00 175.02 175.68 2dn5 s VAL 79 N -0.95 0.47 -0.43 -6.03 1.01 0.15 -4.58 120.40 110.04 2dn5 s VAL 79 Ca 0.16 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 2dn5 s VAL 79 Cb -0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.66 2dn5 s VAL 79 CO 0.06 0.27 1.71 -0.63 0.00 0.00 0.00 175.10 176.51 2dn5 s ILE 80 N 1.84 3.55 -0.08 2.22 -1.09 -1.26 0.19 121.20 126.56 2dn5 s ILE 80 Ca 0.03 0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 58.81 2dn5 s ILE 80 Cb -0.12 -3.87 -0.12 0.00 -1.58 0.00 0.00 42.46 36.76 2dn5 s ILE 80 CO -0.05 -0.65 0.58 0.40 -1.23 0.00 0.00 174.94 173.99 2dn5 h ILE 81 N 6.73 0.67 -2.25 2.92 1.08 -1.40 -3.45 117.51 121.81 2dn5 h ILE 81 Ca -0.30 -1.24 -0.33 0.00 -0.39 0.00 0.00 64.86 62.60 2dn5 h ILE 81 Cb 1.15 1.19 -0.34 0.00 -3.07 0.00 0.00 36.82 35.75 2dn5 h ILE 81 CO 1.10 0.20 -0.64 0.20 -0.69 0.00 0.00 178.15 178.32 2dn5 s ASN 82 N -5.56 1.67 0.26 1.72 0.01 0.36 -4.96 114.94 108.45 2dn5 s ASN 82 Ca -0.10 -0.64 0.00 0.00 -0.71 0.00 0.00 52.86 51.42 2dn5 s ASN 82 Cb -0.00 0.45 0.00 0.00 0.41 0.00 0.00 41.25 42.11 2dn5 s ASN 82 CO 0.35 -0.38 0.00 1.67 -1.51 0.00 0.00 177.10 177.23 2dn5 n GLN 83 N 5.31 0.00 -1.85 -0.60 7.27 -1.26 -4.53 117.38 121.72 2dn5 n GLN 83 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 2dn5 n GLN 83 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 2dn5 n GLN 83 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2dn5 n SER 84 N -3.26 -9.01 -4.39 1.69 7.64 -1.26 -5.04 113.62 100.00 2dn5 n SER 84 Ca 0.00 1.30 -0.24 0.00 1.01 0.00 0.00 58.87 60.94 2dn5 n SER 84 Cb 0.00 -4.83 -0.11 0.00 -1.01 0.00 0.00 64.21 58.26 2dn5 n SER 84 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn5 s GLY 85 N -1.51 1.58 1.12 0.23 0.00 -1.26 -5.15 107.32 102.33 2dn5 s GLY 85 Ca 0.00 -1.61 -0.19 0.00 0.00 0.00 0.00 44.72 42.92 2dn5 s GLY 85 CO 0.00 -1.66 1.24 2.56 0.00 0.00 0.00 173.10 175.24 2dn5 s PRO 86 N -2.89 -0.62 0.29 2.90 0.04 -1.26 -5.04 135.00 128.43 2dn5 s PRO 86 Ca 0.20 -0.37 0.10 0.00 0.04 0.00 0.00 61.00 60.97 2dn5 s PRO 86 Cb -0.06 -1.70 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2dn5 s PRO 86 CO 0.09 -3.26 -0.15 -1.12 0.04 0.00 0.00 177.00 172.61 2dn5 s SER 87 N -4.49 3.45 -0.27 6.66 0.01 -1.26 -4.90 113.70 112.89 2dn5 s SER 87 Ca 0.75 -1.10 -0.15 0.00 1.31 0.00 0.00 55.95 56.75 2dn5 s SER 87 Cb -0.05 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.92 2dn5 s SER 87 CO 0.55 -0.10 0.31 -1.20 0.41 0.00 0.00 173.24 173.21 2dn5 n SER 88 N -0.65 -6.74 -0.33 2.44 7.64 -1.26 -5.22 113.62 109.51 2dn5 n SER 88 Ca -0.05 0.44 0.15 0.00 1.01 0.00 0.00 58.87 60.41 2dn5 n SER 88 Cb 0.61 -2.93 0.66 0.00 -1.01 0.00 0.00 64.21 61.54 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64