#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 0.21 0.30 1.61 0.15 -1.26 -5.17 113.70 109.54 2dn5 s SER 2 Ca 0.00 -0.94 0.07 0.00 0.70 0.00 0.00 55.95 55.78 2dn5 s SER 2 Cb 0.00 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2dn5 s SER 2 CO 0.00 -0.76 0.31 -0.44 1.20 0.00 0.00 173.24 173.55 2dn5 s SER 3 N -2.96 5.64 1.83 5.45 0.01 -1.26 -4.93 113.70 117.48 2dn5 s SER 3 Ca 0.15 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.13 2dn5 s SER 3 Cb 0.06 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2dn5 s SER 3 CO -0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dn5 n GLY 4 N -1.37 2.25 2.25 3.44 0.00 -1.26 -4.94 105.19 105.56 2dn5 n GLY 4 Ca -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 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 10.40 -6.07 -4.78 1.61 7.64 -1.26 -4.94 113.62 116.22 2dn5 n SER 5 Ca 0.00 1.47 -0.34 0.00 1.01 0.00 0.00 58.87 61.01 2dn5 n SER 5 Cb 0.00 -4.65 0.02 0.00 -1.01 0.00 0.00 64.21 58.56 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dn5 s SER 6 N -0.53 5.54 0.27 6.43 0.01 -1.26 -4.83 113.70 119.32 2dn5 s SER 6 Ca -0.08 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.18 2dn5 s SER 6 Cb 0.01 -2.57 0.42 0.00 0.21 0.00 0.00 66.02 64.09 2dn5 s SER 6 CO 0.21 -1.34 1.51 0.61 0.41 0.00 0.00 173.24 174.65 2dn5 n GLY 7 N -0.14 -1.67 0.30 3.44 0.00 -1.26 0.16 105.19 106.02 2dn5 n GLY 7 Ca 0.11 1.04 0.11 0.00 0.00 0.00 0.00 46.02 47.29 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 -0.15 0.02 0.99 3.38 -1.96 0.21 115.31 117.80 2dn5 h LEU 8 Ca 0.45 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.65 2dn5 h LEU 8 Cb 0.69 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 2dn5 h LEU 8 CO -1.00 -0.19 -0.53 -0.09 0.09 0.00 0.00 178.44 176.72 2dn5 h ARG 9 N 0.15 -0.65 -0.92 1.13 9.65 0.13 0.37 114.38 124.23 2dn5 h ARG 9 Ca 0.53 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.54 2dn5 h ARG 9 Cb 1.04 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 29.71 2dn5 h ARG 9 CO -0.70 -0.44 0.59 0.93 2.80 0.00 0.00 179.97 183.16 2dn5 h GLU 10 N -0.68 0.93 0.73 0.20 5.08 -0.80 -0.31 114.58 119.73 2dn5 h GLU 10 Ca 0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2dn5 h GLU 10 Cb 0.72 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dn5 h GLU 10 CO -0.34 0.62 -0.44 1.96 -1.00 0.00 0.00 179.01 179.80 2dn5 h GLN 11 N 0.96 -1.06 -0.95 2.33 4.20 0.90 -0.36 115.11 121.14 2dn5 h GLN 11 Ca 0.42 0.07 0.13 0.00 0.06 0.00 0.00 58.65 59.33 2dn5 h GLN 11 Cb 0.34 0.24 -0.09 0.00 0.30 0.00 0.00 27.48 28.27 2dn5 h GLN 11 CO -0.18 -0.71 0.57 0.28 -0.67 0.00 0.00 178.83 178.12 2dn5 h VAL 12 N -1.10 0.84 0.23 -0.54 2.07 0.10 0.30 116.25 118.16 2dn5 h VAL 12 Ca -0.09 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 2dn5 h VAL 12 Cb 0.88 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2dn5 h VAL 12 CO 0.10 0.16 -0.31 0.11 0.02 0.00 0.00 177.57 177.64 2dn5 h LYS 13 N 0.85 -0.55 -0.78 1.57 1.57 -0.56 0.35 116.57 119.02 2dn5 h LYS 13 Ca 0.49 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.44 2dn5 h LYS 13 Cb 0.58 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 2dn5 h LYS 13 CO -0.30 -0.36 0.51 0.93 -0.57 0.00 0.00 179.45 179.66 2dn5 h GLU 14 N -0.57 0.56 0.00 3.15 5.08 -0.45 -1.15 114.58 121.20 2dn5 h GLU 14 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2dn5 h GLU 14 Cb 0.51 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2dn5 h GLU 14 CO -0.08 0.37 0.00 -0.11 -1.00 0.00 0.00 179.01 178.19 2dn5 n LEU 15 N -4.51 0.00 -0.32 1.33 7.94 0.99 0.20 117.00 122.64 2dn5 n LEU 15 Ca 0.14 0.94 0.17 0.00 -1.11 0.00 0.00 56.01 56.14 2dn5 n LEU 15 Cb 0.44 -0.44 0.36 0.00 0.53 0.00 0.00 43.42 44.31 2dn5 n LEU 15 CO 0.32 -0.44 1.06 -0.26 -1.11 0.00 0.00 177.39 176.97 2dn5 h PHE 16 N 0.00 0.73 -0.38 1.96 0.04 -0.70 0.49 116.94 119.07 2dn5 h PHE 16 Ca 0.00 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2dn5 h PHE 16 Cb 0.00 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 2dn5 h PHE 16 CO -0.04 -0.09 0.10 -0.91 -0.60 0.00 0.00 178.31 176.77 2dn5 h ASN 17 N 0.38 0.57 -0.59 2.17 4.21 -0.87 -2.01 115.58 119.44 2dn5 h ASN 17 Ca 0.62 -0.23 0.07 0.00 1.21 0.00 0.00 56.30 57.97 2dn5 h ASN 17 Cb 1.25 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 38.24 2dn5 h ASN 17 CO -0.56 0.65 0.26 -0.33 -1.29 0.00 0.00 177.43 176.16 2dn5 h GLU 18 N 0.47 0.47 0.52 0.81 4.39 0.71 -1.24 114.58 120.70 2dn5 h GLU 18 Ca 0.12 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 2dn5 h GLU 18 Cb 0.30 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2dn5 h GLU 18 CO 0.00 0.31 -0.39 0.87 -1.16 0.00 0.00 179.01 178.64 2dn5 h LYS 19 N 0.48 -0.86 -0.64 2.33 1.79 -0.75 -2.26 116.57 116.66 2dn5 h LYS 19 Ca 0.28 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.91 2dn5 h LYS 19 Cb 0.27 0.20 -0.12 0.00 -1.58 0.00 0.00 32.23 31.00 2dn5 h LYS 19 CO -0.24 -0.57 -0.38 -0.92 -1.08 0.00 0.00 179.45 176.26 2dn5 h TYR 20 N -0.89 -1.08 -0.53 -1.35 3.20 -0.89 0.38 116.97 115.80 2dn5 h TYR 20 Ca -0.06 0.08 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2dn5 h TYR 20 Cb 0.75 0.56 -0.11 0.00 1.54 0.00 0.00 36.73 39.48 2dn5 h TYR 20 CO -0.15 -0.40 -0.34 0.78 -1.64 0.00 0.00 178.16 176.41 2dn5 h GLY 21 N -0.17 -0.17 1.00 1.82 0.00 -1.00 1.48 103.07 106.04 2dn5 h GLY 21 Ca 0.23 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.99 2dn5 h GLY 21 CO -0.72 -0.20 0.08 0.83 0.00 0.00 0.00 176.54 176.52 2dn5 h GLU 22 N -0.19 0.16 -0.45 4.80 5.08 -0.47 0.38 114.58 123.88 2dn5 h GLU 22 Ca 0.21 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2dn5 h GLU 22 Cb 0.55 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dn5 h GLU 22 CO -0.64 0.10 0.30 0.00 -1.00 0.00 0.00 179.01 177.78 2dn5 h ALA 23 N 1.04 1.77 0.00 3.43 0.00 0.12 0.56 119.26 126.19 2dn5 h ALA 23 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dn5 h ALA 23 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dn5 h ALA 23 CO -0.01 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.70 2dn5 n LEU 24 N -4.48 0.00 -0.04 0.00 4.77 0.49 -4.61 117.00 113.14 2dn5 n LEU 24 Ca 0.05 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2dn5 n LEU 24 Cb 0.13 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2dn5 n LEU 24 CO 0.35 -0.15 -0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2dn5 n GLY 25 N 0.19 0.46 3.68 -0.72 0.00 0.20 -5.03 105.19 103.97 2dn5 n GLY 25 Ca 0.07 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.05 0.00 -0.32 0.99 4.77 0.03 -5.00 117.00 117.42 2dn5 n LEU 26 Ca -0.00 -2.20 0.08 0.00 -0.03 0.00 0.00 56.01 53.85 2dn5 n LEU 26 Cb 0.03 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 40.78 2dn5 n LEU 26 CO 0.01 -0.82 0.47 -3.20 -1.33 0.00 0.00 177.39 172.52 2dn5 n ASN 27 N -2.61 2.01 -3.93 -1.43 5.15 -1.26 -4.17 115.26 109.01 2dn5 n ASN 27 Ca 0.16 -3.37 -0.10 0.00 -0.60 0.00 0.00 54.58 50.67 2dn5 n ASN 27 Cb 0.56 -0.46 -0.11 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.89 0.37 0.04 1.20 1.70 -1.26 -5.06 118.95 113.05 2dn5 s ARG 28 Ca 0.34 -0.50 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 2dn5 s ARG 28 Cb 0.31 0.14 -0.05 0.00 -0.57 0.00 0.00 34.95 34.78 2dn5 s ARG 28 CO -0.01 -0.07 1.17 -1.25 -1.08 0.00 0.00 175.30 174.06 2dn5 s PRO 29 N -1.37 4.44 0.06 3.89 0.04 -1.26 -4.13 135.00 136.67 2dn5 s PRO 29 Ca -0.15 1.72 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2dn5 s PRO 29 Cb -0.09 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2dn5 s PRO 29 CO 0.00 -0.25 -0.23 0.08 0.04 0.00 0.00 177.00 176.64 2dn5 s VAL 30 N 1.19 1.86 0.80 -0.36 1.01 -0.97 -4.89 120.40 119.03 2dn5 s VAL 30 Ca 0.58 -1.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2dn5 s VAL 30 Cb -0.28 -1.62 0.08 0.00 0.00 0.00 0.00 36.38 34.55 2dn5 s VAL 30 CO 0.28 0.19 1.21 -0.76 0.00 0.00 0.00 175.10 176.02 2dn5 s LEU 31 N -1.42 3.16 -0.28 3.92 1.43 -1.26 -4.17 118.68 120.06 2dn5 s LEU 31 Ca 0.09 2.39 -0.06 0.00 -1.03 0.00 0.00 54.13 55.51 2dn5 s LEU 31 Cb -0.09 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.54 2dn5 s LEU 31 CO 0.03 -2.65 0.06 -0.69 0.23 0.00 0.00 176.35 173.33 2dn5 s VAL 32 N -2.10 3.91 -1.11 -1.59 1.01 -1.26 -4.96 120.40 114.30 2dn5 s VAL 32 Ca 0.74 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 2dn5 s VAL 32 Cb -0.29 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 2dn5 s VAL 32 CO 0.50 0.16 2.04 -0.81 0.00 0.00 0.00 175.10 176.99 2dn5 n PRO 33 N 4.86 2.17 -0.19 2.72 -0.04 -1.26 -4.69 135.00 138.58 2dn5 n PRO 33 Ca -0.15 -2.29 0.10 0.00 -0.04 0.00 0.00 63.50 61.12 2dn5 n PRO 33 Cb 0.49 -3.16 0.40 0.00 -0.04 0.00 0.00 33.50 31.19 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 7.19 0.69 -0.66 0.54 0.05 -1.96 0.18 116.97 123.00 2dn5 h TYR 34 Ca 0.47 0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.35 2dn5 h TYR 34 Cb 0.69 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 2dn5 h TYR 34 CO 1.34 0.32 0.43 1.57 -1.05 0.00 0.00 178.16 180.78 2dn5 h LYS 35 N 0.64 0.55 0.08 4.88 -0.00 -1.99 1.31 116.57 122.05 2dn5 h LYS 35 Ca 0.35 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.65 60.83 2dn5 h LYS 35 Cb 0.49 -0.12 0.01 0.00 -0.00 0.00 0.00 32.23 32.60 2dn5 h LYS 35 CO -0.13 0.37 -0.63 -0.07 -0.00 0.00 0.00 179.45 178.99 2dn5 h LEU 36 N 0.57 0.26 -2.47 7.07 3.38 -1.15 -3.07 115.31 119.89 2dn5 h LEU 36 Ca 0.29 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 2dn5 h LEU 36 Cb 0.41 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dn5 h LEU 36 CO -0.09 1.29 -0.02 0.40 0.09 0.00 0.00 178.44 180.10 2dn5 h ILE 37 N -0.63 0.16 0.15 1.22 2.04 -0.20 1.31 117.51 121.55 2dn5 h ILE 37 Ca -0.13 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2dn5 h ILE 37 Cb 1.40 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2dn5 h ILE 37 CO 0.06 0.02 -0.07 -0.09 0.00 0.00 0.00 178.15 178.07 2dn5 h ARG 38 N 0.00 -0.19 0.00 2.37 9.65 0.17 -3.19 114.38 123.18 2dn5 h ARG 38 Ca -0.00 0.01 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 2dn5 h ARG 38 Cb 0.15 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 2dn5 h ARG 38 CO 0.00 0.26 -0.57 -0.44 2.80 0.00 0.00 179.97 182.02 2dn5 h ASP 39 N -0.82 0.00 -4.14 -3.80 5.19 -1.35 -3.38 116.42 108.12 2dn5 h ASP 39 Ca -0.02 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.72 2dn5 h ASP 39 Cb 0.54 0.00 -0.38 0.00 0.18 0.00 0.00 39.33 39.66 2dn5 h ASP 39 CO 0.03 0.57 -0.54 -0.55 -3.12 0.00 0.00 179.24 175.64 2dn5 s SER 40 N -6.52 4.78 0.07 6.45 0.15 0.45 -4.90 113.70 114.17 2dn5 s SER 40 Ca 0.02 -2.78 0.23 0.00 0.70 0.00 0.00 55.95 54.11 2dn5 s SER 40 Cb 0.09 -1.73 0.92 0.00 -1.71 0.00 0.00 66.02 63.59 2dn5 s SER 40 CO 0.74 -0.32 1.71 -0.81 1.20 0.00 0.00 173.24 175.76 2dn5 n PRO 41 N 3.49 0.07 -2.16 5.44 -0.04 -1.21 -3.21 135.00 137.39 2dn5 n PRO 41 Ca 0.05 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 2dn5 n PRO 41 Cb 0.36 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.73 6.24 0.02 3.54 8.00 -1.26 -4.53 116.55 126.83 2dn5 n ASP 42 Ca 0.05 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.76 2dn5 n ASP 42 Cb 0.28 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -0.52 3.00 -2.89 2.24 0.00 -1.20 -3.85 120.51 117.29 2dn5 n ALA 43 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 2dn5 n ALA 43 Cb 0.44 0.37 -0.12 0.00 0.00 0.00 0.00 19.45 20.14 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 0.23 -0.15 0.00 1.01 -1.26 -0.61 120.40 117.62 2dn5 s VAL 44 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2dn5 s VAL 44 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2dn5 s VAL 44 CO 0.00 -0.24 0.03 -0.70 0.00 0.00 0.00 175.10 174.19 2dn5 s GLU 45 N -0.88 3.63 -0.16 2.72 -6.30 0.30 -4.80 118.70 113.21 2dn5 s GLU 45 Ca -0.07 -0.38 0.02 0.00 -2.50 0.00 0.00 54.97 52.03 2dn5 s GLU 45 Cb -0.06 -3.04 0.02 0.00 0.00 0.00 0.00 34.13 31.04 2dn5 s GLU 45 CO -0.00 0.41 -0.20 0.08 0.02 0.00 0.00 175.26 175.56 2dn5 s VAL 46 N -0.05 2.03 0.28 3.70 1.01 -1.26 -0.02 120.40 126.09 2dn5 s VAL 46 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2dn5 s VAL 46 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2dn5 s VAL 46 CO 0.02 0.54 0.25 0.42 0.00 0.00 0.00 175.10 176.32 2dn5 s THR 47 N 1.09 0.00 0.00 3.92 -4.23 0.67 -4.87 115.64 112.22 2dn5 s THR 47 Ca -0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2dn5 s THR 47 Cb -0.14 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2dn5 s THR 47 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2dn5 n GLY 48 N -0.49 2.79 3.12 3.99 0.00 -1.26 0.17 105.19 113.52 2dn5 n GLY 48 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.65 -4.80 0.99 4.77 -1.26 -3.92 117.00 109.13 2dn5 n LEU 49 Ca 0.00 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.82 2dn5 n LEU 49 Cb 0.00 -0.82 0.10 0.00 -2.33 0.00 0.00 43.42 40.36 2dn5 n LEU 49 CO 0.00 -4.38 0.71 -2.16 -1.33 0.00 0.00 177.39 170.23 2dn5 s PRO 50 N -2.53 1.94 0.33 3.23 0.04 -1.26 -4.94 135.00 131.80 2dn5 s PRO 50 Ca 0.45 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.81 2dn5 s PRO 50 Cb -0.11 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2dn5 s PRO 50 CO 0.74 -1.71 0.99 -0.51 0.04 0.00 0.00 177.00 176.55 2dn5 s ASP 51 N -3.92 7.23 -0.73 6.66 1.11 -1.26 -3.41 116.67 122.35 2dn5 s ASP 51 Ca 0.61 1.96 -0.02 0.00 0.18 0.00 0.00 52.55 55.28 2dn5 s ASP 51 Cb -0.14 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2dn5 s ASP 51 CO 0.54 -0.15 0.23 -0.67 1.18 0.00 0.00 175.17 176.29 2dn5 n ASP 52 N 0.61 -3.57 -3.58 0.27 2.03 -1.26 -5.02 116.55 106.03 2dn5 n ASP 52 Ca 0.02 -0.11 -0.08 0.00 0.52 0.00 0.00 54.79 55.14 2dn5 n ASP 52 Cb 0.49 -2.54 -0.09 0.00 -0.72 0.00 0.00 41.12 38.26 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 -2.76 -0.66 0.00 5.18 1.01 -1.22 -5.10 121.20 117.65 2dn5 s ILE 53 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.87 2dn5 s ILE 53 Cb -0.05 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2dn5 s ILE 53 CO 0.14 0.03 0.00 -0.81 0.00 0.00 0.00 174.94 174.30 2dn5 n PRO 54 N 5.39 0.67 -3.62 2.79 -0.04 -1.26 -4.63 135.00 134.30 2dn5 n PRO 54 Ca -0.07 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.09 2dn5 n PRO 54 Cb 0.50 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 -0.22 1.38 0.34 0.54 5.36 -1.26 -4.96 117.98 119.16 2dn5 s PHE 55 Ca 0.00 -1.90 0.06 0.00 -0.96 0.00 0.00 56.93 54.13 2dn5 s PHE 55 Cb 0.00 -1.46 -0.03 0.00 -0.34 0.00 0.00 43.02 41.19 2dn5 s PHE 55 CO 0.00 -0.82 0.24 1.03 -1.46 0.00 0.00 175.22 174.21 2dn5 s ARG 56 N 0.98 1.76 0.07 10.12 0.52 -1.26 -5.07 118.95 126.07 2dn5 s ARG 56 Ca 0.16 -2.03 -0.36 0.00 -0.52 0.00 0.00 55.73 52.98 2dn5 s ARG 56 Cb -0.22 0.13 -0.16 0.00 0.52 0.00 0.00 34.95 35.22 2dn5 s ARG 56 CO -0.07 -0.60 1.46 -1.71 0.02 0.00 0.00 175.30 174.40 2dn5 n ASN 57 N -1.42 2.19 -3.10 0.23 5.15 -1.26 -4.77 115.26 112.28 2dn5 n ASN 57 Ca 0.04 1.10 -0.27 0.00 -0.60 0.00 0.00 54.58 54.85 2dn5 n ASN 57 Cb 0.63 -1.26 -0.04 0.00 -0.53 0.00 0.00 39.78 38.59 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 3.19 2.64 0.00 1.20 -0.04 -1.26 -3.52 135.00 137.20 2dn5 n PRO 58 Ca 0.19 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 2dn5 n PRO 58 Cb 0.22 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2dn5 n PRO 58 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dn5 n ASN 59 N 3.78 0.63 0.00 3.54 0.23 -1.26 -4.80 115.26 117.38 2dn5 n ASN 59 Ca 0.56 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 53.32 2dn5 n ASN 59 Cb 0.23 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2dn5 n THR 60 N -0.15 0.00 -0.95 5.53 5.66 -1.23 -5.09 114.28 118.06 2dn5 n THR 60 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2dn5 n THR 60 Cb 0.38 -0.41 0.06 0.00 -1.55 0.00 0.00 70.33 68.81 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 -1.93 -3.64 -4.15 1.09 4.01 -1.26 -4.99 117.16 106.28 2dn5 n TYR 61 Ca 0.00 0.16 -0.23 0.00 -0.16 0.00 0.00 57.90 57.67 2dn5 n TYR 61 Cb 0.32 -1.48 -0.07 0.00 -0.31 0.00 0.00 39.34 37.80 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 -1.20 4.58 0.45 7.72 1.01 -1.26 -4.82 116.67 123.15 2dn5 s ASP 62 Ca 0.43 -0.81 0.35 0.00 0.71 0.00 0.00 52.55 53.23 2dn5 s ASP 62 Cb -0.12 -0.69 1.51 0.00 1.01 0.00 0.00 42.92 44.62 2dn5 s ASP 62 CO 0.76 -0.28 1.53 0.00 0.21 0.00 0.00 175.17 177.39 2dn5 n ILE 63 N -1.11 -0.20 0.00 0.77 3.06 -1.26 0.11 119.36 120.74 2dn5 n ILE 63 Ca -0.03 1.71 0.00 0.00 -2.50 0.00 0.00 62.75 61.92 2dn5 n ILE 63 Cb 0.61 -2.81 0.00 0.00 0.54 0.00 0.00 39.64 37.99 2dn5 n ILE 63 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2dn5 n HIS 64 N -4.52 0.00 -0.26 9.51 8.25 -1.26 -1.57 115.22 125.37 2dn5 n HIS 64 Ca 0.40 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.92 2dn5 n HIS 64 Cb 1.62 -0.37 0.17 0.00 1.12 0.00 0.00 29.99 32.54 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 0.14 -0.93 -0.41 3.08 -1.33 0.85 114.38 115.78 2dn5 h ARG 65 Ca 0.00 -0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.19 2dn5 h ARG 65 Cb 0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2dn5 h ARG 65 CO 0.00 0.09 0.54 -0.07 -1.07 0.00 0.00 179.97 179.46 2dn5 h LEU 66 N 0.15 0.71 0.12 3.04 3.38 0.70 0.31 115.31 123.72 2dn5 h LEU 66 Ca 0.42 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 2dn5 h LEU 66 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dn5 h LEU 66 CO -0.62 0.31 -0.06 -0.33 0.09 0.00 0.00 178.44 177.83 2dn5 h GLU 67 N 0.76 -0.16 -0.66 1.13 4.39 0.14 -2.76 114.58 117.42 2dn5 h GLU 67 Ca 0.50 0.01 0.12 0.00 0.34 0.00 0.00 59.36 60.34 2dn5 h GLU 67 Cb 0.68 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 2dn5 h GLU 67 CO -0.34 0.30 -0.30 0.87 -1.16 0.00 0.00 179.01 178.38 2dn5 h LYS 68 N -0.89 -0.10 -0.99 2.33 1.57 0.91 1.51 116.57 120.91 2dn5 h LYS 68 Ca -0.02 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2dn5 h LYS 68 Cb 0.54 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 2dn5 h LYS 68 CO 0.03 -0.07 0.62 0.82 -0.57 0.00 0.00 179.45 180.28 2dn5 h ILE 69 N -0.11 0.92 -0.32 1.86 2.04 -0.49 0.18 117.51 121.58 2dn5 h ILE 69 Ca 0.27 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 2dn5 h ILE 69 Cb 0.55 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2dn5 h ILE 69 CO -0.73 0.18 -0.34 -0.07 0.00 0.00 0.00 178.15 177.19 2dn5 h LEU 70 N 0.98 0.76 -0.23 1.44 3.38 0.12 0.71 115.31 122.46 2dn5 h LEU 70 Ca 0.49 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dn5 h LEU 70 Cb 0.48 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2dn5 h LEU 70 CO -0.27 1.04 0.00 0.29 0.09 0.00 0.00 178.44 179.59 2dn5 n LYS 71 N -4.06 0.06 -0.25 1.13 5.02 0.44 -1.46 118.16 119.03 2dn5 n LYS 71 Ca -0.01 0.33 0.07 0.00 -2.02 0.00 0.00 58.31 56.68 2dn5 n LYS 71 Cb 0.50 -1.61 0.12 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.58 2.36 0.26 7.82 0.00 -0.02 -4.73 120.51 124.62 2dn5 n ALA 72 Ca 0.03 -2.37 0.09 0.00 0.00 0.00 0.00 53.44 51.18 2dn5 n ALA 72 Cb 0.17 -0.41 0.68 0.00 0.00 0.00 0.00 19.45 19.88 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 0.13 0.00 0.00 0.00 0.11 0.26 0.84 114.38 115.73 2dn5 h ARG 73 Ca -0.01 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2dn5 h ARG 73 Cb 1.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.17 2dn5 h ARG 73 CO 0.00 0.00 -0.92 0.93 0.10 0.00 0.00 179.97 180.09 2dn5 h GLU 74 N 0.00 0.00 0.06 0.08 5.08 -1.85 -3.34 114.58 114.61 2dn5 h GLU 74 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2dn5 h GLU 74 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2dn5 h GLU 74 CO 0.00 0.38 -0.53 0.45 -1.00 0.00 0.00 179.01 178.31 2dn5 h HIS 75 N 0.00 0.22 -1.34 4.33 3.86 -1.31 -3.46 115.15 117.45 2dn5 h HIS 75 Ca -0.07 -0.16 -0.72 0.00 -1.16 0.00 0.00 60.37 58.26 2dn5 h HIS 75 Cb 1.45 -0.01 0.07 0.00 1.06 0.00 0.00 27.41 29.98 2dn5 h HIS 75 CO 0.00 1.20 0.10 0.28 0.86 0.00 0.00 177.93 180.37 2dn5 n VAL 76 N -4.37 0.49 -3.78 2.45 0.31 0.27 -4.26 118.33 109.45 2dn5 n VAL 76 Ca -0.15 -0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 63.93 2dn5 n VAL 76 Cb 0.65 -0.34 -0.12 0.00 -0.91 0.00 0.00 33.84 33.12 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 -0.14 0.28 0.04 5.55 3.52 0.46 -4.89 118.95 123.77 2dn5 s ARG 77 Ca 0.82 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.82 2dn5 s ARG 77 Cb -1.07 0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 32.40 2dn5 s ARG 77 CO 0.54 -0.05 -0.05 -1.64 -0.81 0.00 0.00 175.30 173.30 2dn5 s MET 78 N 0.24 2.53 -0.09 5.12 -1.94 -1.26 -0.23 119.30 123.67 2dn5 s MET 78 Ca -0.01 -0.77 -0.03 0.00 -1.71 0.00 0.00 55.69 53.17 2dn5 s MET 78 Cb -0.03 -2.51 0.04 0.00 2.01 0.00 0.00 34.83 34.34 2dn5 s MET 78 CO -0.01 0.58 0.06 0.08 -0.01 0.00 0.00 175.02 175.72 2dn5 s VAL 79 N -1.11 0.02 -0.47 -6.03 1.01 0.97 -4.62 120.40 110.16 2dn5 s VAL 79 Ca 0.20 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 2dn5 s VAL 79 Cb -0.11 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 2dn5 s VAL 79 CO 0.11 0.05 1.99 -0.63 0.00 0.00 0.00 175.10 176.63 2dn5 s ILE 80 N 2.11 3.29 -0.07 2.22 -1.09 -1.26 0.11 121.20 126.51 2dn5 s ILE 80 Ca 0.04 0.22 -0.13 0.00 -2.23 0.00 0.00 60.65 58.55 2dn5 s ILE 80 Cb -0.13 -3.58 -0.09 0.00 -1.58 0.00 0.00 42.46 37.08 2dn5 s ILE 80 CO -0.05 -0.50 0.51 0.40 -1.23 0.00 0.00 174.94 174.07 2dn5 h ILE 81 N 7.06 0.34 -3.12 2.92 1.08 -1.69 -3.45 117.51 120.65 2dn5 h ILE 81 Ca -0.29 -0.98 -0.60 0.00 -0.39 0.00 0.00 64.86 62.60 2dn5 h ILE 81 Cb 1.19 0.59 -0.36 0.00 -3.07 0.00 0.00 36.82 35.18 2dn5 h ILE 81 CO 1.13 0.10 -0.83 0.21 -0.69 0.00 0.00 178.15 178.07 2dn5 s ASN 82 N -5.34 2.68 -0.48 1.72 3.84 0.22 -4.96 114.94 112.62 2dn5 s ASN 82 Ca -0.07 -0.48 -0.45 0.00 0.21 0.00 0.00 52.86 52.06 2dn5 s ASN 82 Cb 0.00 -1.18 -0.19 0.00 -0.55 0.00 0.00 41.25 39.34 2dn5 s ASN 82 CO 0.26 -0.05 1.80 0.00 -2.79 0.00 0.00 177.10 176.31 2dn5 n GLN 83 N 4.74 0.14 -3.65 0.43 3.00 -1.26 -4.62 117.38 116.16 2dn5 n GLN 83 Ca -0.17 0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 56.85 2dn5 n GLN 83 Cb 0.50 -1.59 -0.06 0.00 0.00 0.00 0.00 30.24 29.10 2dn5 n GLN 83 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dn5 s SER 84 N 4.11 -0.02 0.00 1.08 0.15 -1.26 -5.09 113.70 112.67 2dn5 s SER 84 Ca 1.09 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2dn5 s SER 84 Cb -1.44 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 2dn5 s SER 84 CO 0.75 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.79 2dn5 n GLY 85 N 1.05 1.41 3.79 9.45 0.00 -1.26 -4.96 105.19 114.66 2dn5 n GLY 85 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.61 1.14 0.01 1.61 0.04 -1.26 -5.01 135.00 130.91 2dn5 s PRO 86 Ca 0.00 0.29 -0.08 0.00 0.04 0.00 0.00 61.00 61.25 2dn5 s PRO 86 Cb 0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dn5 s PRO 86 CO 0.00 -2.20 0.97 0.77 0.04 0.00 0.00 177.00 176.59 2dn5 h SER 87 N -1.50 -0.24 -0.28 6.66 0.02 -2.00 -3.46 113.55 112.76 2dn5 h SER 87 Ca -0.50 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 60.57 2dn5 h SER 87 Cb 1.33 0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.76 2dn5 h SER 87 CO 0.62 -0.16 -0.13 -0.55 -1.14 0.00 0.00 176.83 175.47 2dn5 s SER 88 N -2.65 -0.43 0.00 3.07 0.15 -1.26 -4.76 113.70 107.82 2dn5 s SER 88 Ca -0.04 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2dn5 s SER 88 Cb 0.00 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2dn5 s SER 88 CO 0.13 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.13