#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 3.44 -0.12 1.61 0.01 -1.26 -5.10 113.70 112.28 2dn5 s SER 2 Ca 0.00 -1.18 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 2dn5 s SER 2 Cb 0.00 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.53 2dn5 s SER 2 CO 0.00 -0.35 -0.03 -0.55 0.41 0.00 0.00 173.24 172.72 2dn5 s SER 3 N 1.74 2.24 0.00 2.44 0.15 -1.26 -5.10 113.70 113.92 2dn5 s SER 3 Ca 0.03 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dn5 s SER 3 Cb -0.17 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 2dn5 s SER 3 CO -0.16 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2dn5 n GLY 4 N 5.01 3.72 3.57 9.45 0.00 -1.26 -5.03 105.19 120.64 2dn5 n GLY 4 Ca -0.10 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 2dn5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn5 s SER 5 N 0.00 5.88 -0.60 1.61 0.01 -1.26 -4.91 113.70 114.43 2dn5 s SER 5 Ca 0.00 -1.50 -0.20 0.00 1.31 0.00 0.00 55.95 55.56 2dn5 s SER 5 Cb 0.00 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.74 2dn5 s SER 5 CO 0.00 -2.12 0.77 -0.94 0.41 0.00 0.00 173.24 171.36 2dn5 s SER 6 N 5.99 6.19 0.04 2.44 1.04 -1.26 -4.91 113.70 123.22 2dn5 s SER 6 Ca 0.59 -1.23 -0.27 0.00 0.48 0.00 0.00 55.95 55.52 2dn5 s SER 6 Cb -0.01 -2.33 -0.17 0.00 0.10 0.00 0.00 66.02 63.60 2dn5 s SER 6 CO 0.02 -1.18 1.44 1.23 0.98 0.00 0.00 173.24 175.72 2dn5 h GLY 7 N 10.34 -0.43 -0.73 7.32 0.00 -2.01 -3.05 103.07 114.50 2dn5 h GLY 7 Ca -0.29 0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.36 2dn5 h GLY 7 CO 1.11 -0.16 -0.26 1.41 0.00 0.00 0.00 176.54 178.64 2dn5 h LEU 8 N -0.61 -0.96 -0.91 3.11 3.38 -1.92 0.43 115.31 117.85 2dn5 h LEU 8 Ca -0.04 0.26 0.15 0.00 0.09 0.00 0.00 57.88 58.35 2dn5 h LEU 8 Cb 0.44 0.58 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 2dn5 h LEU 8 CO 0.07 -0.29 -0.34 -0.09 0.09 0.00 0.00 178.44 177.88 2dn5 h ARG 9 N -0.02 -0.03 -0.38 1.13 2.43 -1.83 0.78 114.38 116.46 2dn5 h ARG 9 Ca 0.38 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.51 2dn5 h ARG 9 Cb 0.62 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2dn5 h ARG 9 CO -0.88 -0.02 0.08 0.93 -1.51 0.00 0.00 179.97 178.57 2dn5 h GLU 10 N -0.03 0.61 -0.83 0.20 4.39 -0.26 -0.29 114.58 118.38 2dn5 h GLU 10 Ca 0.35 -0.15 0.11 0.00 0.34 0.00 0.00 59.36 60.01 2dn5 h GLU 10 Cb 0.61 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 2dn5 h GLU 10 CO -0.93 0.66 0.46 1.96 -1.16 0.00 0.00 179.01 180.00 2dn5 h GLN 11 N 0.46 0.71 -0.33 2.33 4.20 0.19 0.25 115.11 122.92 2dn5 h GLN 11 Ca 0.12 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.63 2dn5 h GLN 11 Cb 0.33 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2dn5 h GLN 11 CO 0.00 0.47 -0.41 0.28 -0.67 0.00 0.00 178.83 178.50 2dn5 h VAL 12 N 0.73 1.28 0.24 -0.54 2.07 0.58 -2.08 116.25 118.53 2dn5 h VAL 12 Ca 0.42 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2dn5 h VAL 12 Cb 0.46 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2dn5 h VAL 12 CO -0.29 0.52 -0.48 0.11 0.02 0.00 0.00 177.57 177.45 2dn5 h LYS 13 N 0.66 -0.75 -0.80 1.57 1.57 0.81 0.71 116.57 120.34 2dn5 h LYS 13 Ca 0.05 0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 2dn5 h LYS 13 Cb 0.98 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 2dn5 h LYS 13 CO 0.09 -0.50 0.52 0.93 -0.57 0.00 0.00 179.45 179.92 2dn5 h GLU 14 N -0.78 0.70 0.02 3.15 4.39 -1.20 -0.85 114.58 120.01 2dn5 h GLU 14 Ca -0.02 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 2dn5 h GLU 14 Cb 0.74 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2dn5 h GLU 14 CO -0.19 0.46 -0.02 1.25 -1.16 0.00 0.00 179.01 179.35 2dn5 h LEU 15 N 0.72 -0.05 -0.97 1.33 5.85 -0.45 1.43 115.31 123.17 2dn5 h LEU 15 Ca 0.37 0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.34 2dn5 h LEU 15 Cb 0.46 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 2dn5 h LEU 15 CO -0.14 -0.03 0.53 -0.26 -0.34 0.00 0.00 178.44 178.20 2dn5 h PHE 16 N -0.04 0.89 -0.47 1.25 0.04 -0.68 0.49 116.94 118.41 2dn5 h PHE 16 Ca -0.00 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 2dn5 h PHE 16 Cb 0.03 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 2dn5 h PHE 16 CO -0.04 0.00 0.06 -0.91 -0.60 0.00 0.00 178.31 176.82 2dn5 h ASN 17 N 0.49 0.76 -0.30 2.17 4.21 -0.78 -0.97 115.58 121.16 2dn5 h ASN 17 Ca 0.63 -0.27 0.02 0.00 1.21 0.00 0.00 56.30 57.88 2dn5 h ASN 17 Cb 1.22 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 2dn5 h ASN 17 CO -0.51 0.84 0.15 -0.33 -1.29 0.00 0.00 177.43 176.30 2dn5 h GLU 18 N 0.65 0.31 -0.01 0.81 4.39 0.66 -0.84 114.58 120.55 2dn5 h GLU 18 Ca 0.14 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.83 2dn5 h GLU 18 Cb 0.42 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2dn5 h GLU 18 CO 0.01 0.20 -0.03 0.87 -1.16 0.00 0.00 179.01 178.90 2dn5 h LYS 19 N 0.32 -0.05 -0.55 2.33 1.79 -0.70 -1.85 116.57 117.86 2dn5 h LYS 19 Ca 0.13 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 2dn5 h LYS 19 Cb 0.04 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.60 2dn5 h LYS 19 CO -0.09 -0.03 -0.10 -0.92 -1.08 0.00 0.00 179.45 177.23 2dn5 h TYR 20 N -0.05 -0.22 0.41 -1.35 3.20 -0.77 0.39 116.97 118.56 2dn5 h TYR 20 Ca 0.02 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2dn5 h TYR 20 Cb 0.08 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2dn5 h TYR 20 CO -0.11 -0.21 -0.44 0.78 -1.64 0.00 0.00 178.16 176.53 2dn5 h GLY 21 N 0.03 -1.06 0.36 1.82 0.00 -0.80 0.57 103.07 103.99 2dn5 h GLY 21 Ca 0.27 0.51 0.06 0.00 0.00 0.00 0.00 47.33 48.17 2dn5 h GLY 21 CO -0.54 -0.34 -0.12 0.83 0.00 0.00 0.00 176.54 176.37 2dn5 h GLU 22 N -0.88 -0.09 -0.65 4.80 5.08 -0.68 0.10 114.58 122.27 2dn5 h GLU 22 Ca -0.04 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 2dn5 h GLU 22 Cb 0.78 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2dn5 h GLU 22 CO -0.08 -0.06 0.43 0.00 -1.00 0.00 0.00 179.01 178.30 2dn5 h ALA 23 N 1.12 1.80 0.00 3.43 0.00 0.03 0.74 119.26 126.38 2dn5 h ALA 23 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dn5 h ALA 23 Cb 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dn5 h ALA 23 CO -0.31 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.30 2dn5 n LEU 24 N -4.48 0.11 0.00 0.00 4.77 0.20 -4.64 117.00 112.97 2dn5 n LEU 24 Ca 0.09 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2dn5 n LEU 24 Cb 0.25 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2dn5 n LEU 24 CO 0.34 -0.33 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2dn5 n GLY 25 N -0.12 0.45 0.00 -0.72 0.00 0.26 -5.04 105.19 100.02 2dn5 n GLY 25 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.53 -5.00 117.00 117.03 2dn5 n LEU 26 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2dn5 n LEU 26 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2dn5 n LEU 26 CO 0.00 -0.47 0.44 -3.20 -1.33 0.00 0.00 177.39 172.83 2dn5 n ASN 27 N -2.82 1.42 -4.02 -1.43 2.85 -1.26 -4.39 115.26 105.60 2dn5 n ASN 27 Ca 0.00 -2.51 -0.10 0.00 -0.11 0.00 0.00 54.58 51.86 2dn5 n ASN 27 Cb 0.00 -0.29 -0.11 0.00 1.24 0.00 0.00 39.78 40.62 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 -1.60 0.43 0.06 1.20 1.70 -1.26 -5.05 118.95 114.43 2dn5 s ARG 28 Ca 0.17 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2dn5 s ARG 28 Cb 0.15 0.02 -0.05 0.00 -0.57 0.00 0.00 34.95 34.50 2dn5 s ARG 28 CO 0.02 -0.04 1.17 -1.25 -1.08 0.00 0.00 175.30 174.12 2dn5 s PRO 29 N -1.96 4.45 -0.00 3.89 0.04 -1.26 -4.13 135.00 136.03 2dn5 s PRO 29 Ca -0.10 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.74 2dn5 s PRO 29 Cb -0.07 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.10 2dn5 s PRO 29 CO -0.02 -0.22 -0.23 0.08 0.04 0.00 0.00 177.00 176.65 2dn5 s VAL 30 N 0.99 1.84 0.89 -0.36 1.01 -0.55 -4.89 120.40 119.34 2dn5 s VAL 30 Ca 0.57 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2dn5 s VAL 30 Cb -0.28 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.64 2dn5 s VAL 30 CO 0.29 0.46 0.87 0.18 0.00 0.00 0.00 175.10 176.91 2dn5 n LEU 31 N 2.35 2.22 -4.25 3.92 4.77 -1.26 -4.13 117.00 120.61 2dn5 n LEU 31 Ca -0.16 0.44 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 2dn5 n LEU 31 Cb 0.52 -1.38 -0.14 0.00 -2.33 0.00 0.00 43.42 40.09 2dn5 n LEU 31 CO 0.23 -2.62 -0.39 -0.69 -1.33 0.00 0.00 177.39 172.60 2dn5 s VAL 32 N -2.40 3.15 -1.17 4.08 1.01 -1.26 -4.93 120.40 118.87 2dn5 s VAL 32 Ca 0.65 -0.81 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 2dn5 s VAL 32 Cb -0.25 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2dn5 s VAL 32 CO 0.60 0.27 1.95 -0.81 0.00 0.00 0.00 175.10 177.10 2dn5 n PRO 33 N 4.74 2.28 -0.29 2.72 -0.04 -1.26 -4.73 135.00 138.42 2dn5 n PRO 33 Ca -0.17 -2.56 0.11 0.00 -0.04 0.00 0.00 63.50 60.85 2dn5 n PRO 33 Cb 0.48 -3.36 0.35 0.00 -0.04 0.00 0.00 33.50 30.93 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 7.83 0.88 -0.83 0.54 0.05 -1.97 0.24 116.97 123.72 2dn5 h TYR 34 Ca 0.41 0.03 0.09 0.00 0.05 0.00 0.00 58.73 59.31 2dn5 h TYR 34 Cb 0.78 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 2dn5 h TYR 34 CO 1.33 0.33 0.54 1.57 -1.05 0.00 0.00 178.16 180.89 2dn5 h LYS 35 N 0.75 0.80 0.10 4.88 2.10 -1.99 0.82 116.57 124.04 2dn5 h LYS 35 Ca 0.46 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 59.06 2dn5 h LYS 35 Cb 0.67 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 2dn5 h LYS 35 CO -0.22 0.53 -0.05 -0.07 -2.00 0.00 0.00 179.45 177.64 2dn5 h LEU 36 N 0.82 -0.12 -1.89 7.07 3.38 -1.02 -2.84 115.31 120.71 2dn5 h LEU 36 Ca 0.38 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.24 2dn5 h LEU 36 Cb 0.39 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dn5 h LEU 36 CO -0.15 0.43 0.40 0.40 0.09 0.00 0.00 178.44 179.61 2dn5 h ILE 37 N -1.02 0.09 0.13 1.22 2.04 -0.61 1.25 117.51 120.61 2dn5 h ILE 37 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2dn5 h ILE 37 Cb 0.25 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2dn5 h ILE 37 CO 0.02 0.00 -0.06 -0.09 0.00 0.00 0.00 178.15 178.02 2dn5 h ARG 38 N 0.00 -0.16 0.00 2.37 9.65 0.67 -3.20 114.38 123.70 2dn5 h ARG 38 Ca 0.05 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.93 2dn5 h ARG 38 Cb 0.85 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.47 2dn5 h ARG 38 CO -0.00 -0.11 -0.06 0.22 2.80 0.00 0.00 179.97 182.82 2dn5 h ASP 39 N -0.40 0.00 -4.11 -3.80 3.58 -1.09 -3.34 116.42 107.26 2dn5 h ASP 39 Ca -0.02 0.00 -0.65 0.00 0.42 0.00 0.00 57.03 56.79 2dn5 h ASP 39 Cb 0.13 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 40.77 2dn5 h ASP 39 CO 0.03 0.06 -0.66 -0.55 -2.88 0.00 0.00 179.24 175.24 2dn5 s SER 40 N -5.79 4.46 0.42 2.28 0.15 0.42 -4.92 113.70 110.73 2dn5 s SER 40 Ca -0.02 -2.70 0.28 0.00 0.70 0.00 0.00 55.95 54.21 2dn5 s SER 40 Cb 0.12 -1.62 0.88 0.00 -1.71 0.00 0.00 66.02 63.69 2dn5 s SER 40 CO 0.53 -0.29 1.79 1.55 1.20 0.00 0.00 173.24 178.03 2dn5 h PRO 41 N 6.90 0.00 -2.02 5.44 0.13 -1.68 -3.23 132.00 137.55 2dn5 h PRO 41 Ca -0.07 0.00 -0.74 0.00 -0.87 0.00 0.00 66.00 64.32 2dn5 h PRO 41 Cb 0.94 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.77 2dn5 h PRO 41 CO 0.62 0.00 0.70 -3.47 -0.23 0.00 0.00 178.00 175.62 2dn5 n ASP 42 N -2.86 6.90 0.00 1.44 2.03 -1.26 -4.42 116.55 118.38 2dn5 n ASP 42 Ca 0.03 -3.77 0.00 0.00 0.52 0.00 0.00 54.79 51.56 2dn5 n ASP 42 Cb 0.39 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 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 -0.38 3.00 -3.03 -1.67 0.00 -1.22 -4.10 120.51 113.10 2dn5 n ALA 43 Ca 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.81 2dn5 n ALA 43 Cb 0.31 0.44 -0.12 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 0.03 -0.16 0.00 1.01 -1.26 -1.60 120.40 116.42 2dn5 s VAL 44 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 2dn5 s VAL 44 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2dn5 s VAL 44 CO 0.00 -0.15 0.08 -0.70 0.00 0.00 0.00 175.10 174.34 2dn5 s GLU 45 N -0.46 3.75 -0.13 2.72 -6.30 0.50 -4.82 118.70 113.96 2dn5 s GLU 45 Ca -0.05 -0.28 0.02 0.00 -2.50 0.00 0.00 54.97 52.16 2dn5 s GLU 45 Cb -0.04 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.91 2dn5 s GLU 45 CO 0.00 0.45 -0.21 0.08 0.02 0.00 0.00 175.26 175.61 2dn5 s VAL 46 N -0.13 2.24 0.24 3.70 1.01 -1.26 0.60 120.40 126.80 2dn5 s VAL 46 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2dn5 s VAL 46 Cb -0.12 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2dn5 s VAL 46 CO 0.01 0.54 0.20 0.42 0.00 0.00 0.00 175.10 176.27 2dn5 s THR 47 N 0.67 0.00 0.00 3.92 -4.23 0.18 -4.85 115.64 111.33 2dn5 s THR 47 Ca -0.10 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2dn5 s THR 47 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2dn5 s THR 47 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2dn5 n GLY 48 N -0.38 2.98 3.09 3.99 0.00 -1.26 0.20 105.19 113.81 2dn5 n GLY 48 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.85 -4.78 0.99 4.77 -1.26 -3.85 117.00 109.02 2dn5 n LEU 49 Ca 0.00 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 2dn5 n LEU 49 Cb 0.00 -0.76 0.16 0.00 -2.33 0.00 0.00 43.42 40.50 2dn5 n LEU 49 CO 0.00 -4.23 0.73 -2.16 -1.33 0.00 0.00 177.39 170.40 2dn5 s PRO 50 N -2.38 0.61 0.15 3.23 0.04 -1.26 -4.93 135.00 130.45 2dn5 s PRO 50 Ca 0.43 0.09 -0.23 0.00 0.04 0.00 0.00 61.00 61.33 2dn5 s PRO 50 Cb -0.08 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 2dn5 s PRO 50 CO 0.73 -2.52 0.72 0.16 0.04 0.00 0.00 177.00 176.13 2dn5 s ASP 51 N -4.17 7.26 -0.96 6.66 -4.77 -1.26 -3.61 116.67 115.82 2dn5 s ASP 51 Ca 0.67 1.52 0.00 0.00 -3.30 0.00 0.00 52.55 51.44 2dn5 s ASP 51 Cb -0.12 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 2dn5 s ASP 51 CO 0.54 0.19 0.00 -0.67 0.70 0.00 0.00 175.17 175.93 2dn5 n ASP 52 N 1.47 -3.64 -3.64 2.11 -0.08 -1.26 -5.00 116.55 106.50 2dn5 n ASP 52 Ca -0.06 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.04 2dn5 n ASP 52 Cb 0.50 -2.85 -0.15 0.00 2.34 0.00 0.00 41.12 40.95 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 -2.55 -0.25 0.00 5.18 1.01 -1.24 -5.08 121.20 118.27 2dn5 s ILE 53 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2dn5 s ILE 53 Cb 0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2dn5 s ILE 53 CO 0.00 0.07 0.00 -0.81 0.00 0.00 0.00 174.94 174.20 2dn5 n PRO 54 N 5.32 0.65 -3.71 2.79 -0.04 -1.26 -4.58 135.00 134.16 2dn5 n PRO 54 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 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 -0.24 1.92 0.23 0.54 5.36 -1.26 -4.94 117.98 119.60 2dn5 s PHE 55 Ca 0.00 -2.31 0.00 0.00 -0.96 0.00 0.00 56.93 53.66 2dn5 s PHE 55 Cb 0.00 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.80 2dn5 s PHE 55 CO 0.00 -0.80 0.18 1.03 -1.46 0.00 0.00 175.22 174.16 2dn5 s ARG 56 N 0.58 1.33 0.14 10.12 0.52 -1.26 -5.07 118.95 125.31 2dn5 s ARG 56 Ca 0.16 -1.69 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 2dn5 s ARG 56 Cb -0.23 0.29 -0.17 0.00 0.52 0.00 0.00 34.95 35.36 2dn5 s ARG 56 CO -0.03 -0.45 0.63 0.09 0.02 0.00 0.00 175.30 175.55 2dn5 n ASN 57 N -0.53 -0.90 0.00 0.23 3.02 -1.26 -4.76 115.26 111.07 2dn5 n ASN 57 Ca 0.03 1.08 0.10 0.00 -0.03 0.00 0.00 54.58 55.77 2dn5 n ASN 57 Cb 0.65 -0.90 0.62 0.00 -0.61 0.00 0.00 39.78 39.54 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2dn5 n PRO 58 N 1.07 0.75 -2.26 3.52 -0.04 -1.26 -3.82 135.00 132.96 2dn5 n PRO 58 Ca 0.18 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.24 2dn5 n PRO 58 Cb 0.20 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.94 7.48 0.00 3.54 0.23 -1.26 -4.04 115.26 120.26 2dn5 n ASN 59 Ca 0.16 -3.56 0.00 0.00 -0.53 0.00 0.00 54.58 50.65 2dn5 n ASN 59 Cb 0.07 -1.20 0.00 0.00 -2.08 0.00 0.00 39.78 36.57 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 0.32 0.00 -0.88 5.53 5.66 -1.25 -5.07 114.28 118.59 2dn5 n THR 60 Ca 0.52 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 61.16 2dn5 n THR 60 Cb 0.28 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.14 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 -0.96 -1.87 -3.83 1.09 4.01 -1.26 -5.00 117.16 109.34 2dn5 n TYR 61 Ca 0.00 0.38 -0.22 0.00 -0.16 0.00 0.00 57.90 57.90 2dn5 n TYR 61 Cb 0.00 -1.48 -0.05 0.00 -0.31 0.00 0.00 39.34 37.51 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 -1.35 4.94 0.43 7.72 1.01 -1.26 -4.81 116.67 123.36 2dn5 s ASP 62 Ca 0.44 -0.73 0.29 0.00 0.71 0.00 0.00 52.55 53.26 2dn5 s ASP 62 Cb -0.03 -0.70 1.39 0.00 1.01 0.00 0.00 42.92 44.59 2dn5 s ASP 62 CO 0.68 -0.48 1.64 -0.29 0.21 0.00 0.00 175.17 176.93 2dn5 h ILE 63 N 1.26 0.16 0.00 0.77 2.10 -1.96 1.14 117.51 120.98 2dn5 h ILE 63 Ca -0.43 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2dn5 h ILE 63 Cb 1.26 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2dn5 h ILE 63 CO 0.61 0.02 0.00 1.41 -1.08 0.00 0.00 178.15 179.11 2dn5 n HIS 64 N -4.70 0.00 -0.27 2.19 8.25 -1.26 -2.25 115.22 117.19 2dn5 n HIS 64 Ca 0.36 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.89 2dn5 n HIS 64 Cb 1.37 -0.36 0.19 0.00 1.12 0.00 0.00 29.99 32.32 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 0.15 -0.24 -0.41 3.08 -1.60 2.02 114.38 117.38 2dn5 h ARG 65 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 2dn5 h ARG 65 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2dn5 h ARG 65 CO 0.00 0.10 0.36 -0.07 -1.07 0.00 0.00 179.97 179.28 2dn5 h LEU 66 N 0.15 0.00 0.03 3.04 3.38 0.12 -0.74 115.31 121.30 2dn5 h LEU 66 Ca 0.45 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.06 2dn5 h LEU 66 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2dn5 h LEU 66 CO -0.64 0.00 -2.00 -0.62 0.09 0.00 0.00 178.44 175.27 2dn5 n GLU 67 N -3.47 0.64 -0.02 1.13 -0.58 0.63 -3.83 120.64 115.14 2dn5 n GLU 67 Ca 0.03 0.34 -0.05 0.00 -0.42 0.00 0.00 57.16 57.06 2dn5 n GLU 67 Cb 0.48 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2dn5 n GLU 67 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dn5 h LYS 68 N -0.52 -0.18 -0.53 3.49 6.56 0.15 0.73 116.57 126.27 2dn5 h LYS 68 Ca -0.50 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.16 2dn5 h LYS 68 Cb 1.69 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 33.31 2dn5 h LYS 68 CO -0.16 -0.12 -0.51 0.82 -2.06 0.00 0.00 179.45 177.42 2dn5 h ILE 69 N -0.19 0.00 -1.13 1.86 2.04 -1.46 1.57 117.51 120.20 2dn5 h ILE 69 Ca 0.01 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.20 2dn5 h ILE 69 Cb 0.23 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 2dn5 h ILE 69 CO -0.17 0.00 0.81 -0.07 0.00 0.00 0.00 178.15 178.72 2dn5 h LEU 70 N -0.25 0.04 -0.33 1.44 3.38 -1.53 1.80 115.31 119.87 2dn5 h LEU 70 Ca 0.09 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 2dn5 h LEU 70 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2dn5 h LEU 70 CO -0.63 0.01 -0.71 0.11 0.09 0.00 0.00 178.44 177.32 2dn5 h LYS 71 N 0.04 0.60 -0.65 1.13 1.57 0.85 -2.86 116.57 117.24 2dn5 h LYS 71 Ca 0.55 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2dn5 h LYS 71 Cb 2.12 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.52 2dn5 h LYS 71 CO -0.04 1.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.93 2dn5 n ALA 72 N -2.55 3.10 -0.06 3.86 0.00 0.50 -4.41 120.51 120.95 2dn5 n ALA 72 Ca -0.05 -1.51 0.25 0.00 0.00 0.00 0.00 53.44 52.13 2dn5 n ALA 72 Cb 0.70 -1.03 0.72 0.00 0.00 0.00 0.00 19.45 19.83 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 3.91 0.00 0.12 0.00 0.11 0.21 1.51 114.38 120.24 2dn5 h ARG 73 Ca 0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 2dn5 h ARG 73 Cb 1.41 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.50 2dn5 h ARG 73 CO 0.23 0.00 -0.90 0.93 0.10 0.00 0.00 179.97 180.33 2dn5 h GLU 74 N 0.00 0.25 -0.42 0.08 5.08 -1.82 -3.33 114.58 114.41 2dn5 h GLU 74 Ca 0.33 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 2dn5 h GLU 74 Cb 1.51 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2dn5 h GLU 74 CO -0.00 1.20 -0.23 0.45 -1.00 0.00 0.00 179.01 179.43 2dn5 h HIS 75 N -0.44 0.97 -1.39 4.33 3.86 -1.03 -3.44 115.15 118.01 2dn5 h HIS 75 Ca -0.18 -0.23 -0.73 0.00 -1.16 0.00 0.00 60.37 58.07 2dn5 h HIS 75 Cb 1.60 -0.23 0.05 0.00 1.06 0.00 0.00 27.41 29.89 2dn5 h HIS 75 CO 0.18 0.99 0.32 0.28 0.86 0.00 0.00 177.93 180.56 2dn5 n VAL 76 N -4.11 0.01 -3.77 2.45 0.31 0.49 -4.04 118.33 109.68 2dn5 n VAL 76 Ca 0.00 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2dn5 n VAL 76 Cb 0.45 -0.50 -0.12 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.47 0.27 -0.00 5.55 6.06 0.53 -4.88 118.95 126.94 2dn5 s ARG 77 Ca 0.88 0.42 0.03 0.00 -2.50 0.00 0.00 55.73 54.56 2dn5 s ARG 77 Cb -1.10 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 33.93 2dn5 s ARG 77 CO 0.52 -0.08 -0.07 -1.64 -2.50 0.00 0.00 175.30 171.53 2dn5 s MET 78 N 0.53 2.56 -0.08 5.12 -1.94 -1.26 0.48 119.30 124.71 2dn5 s MET 78 Ca -0.03 -0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2dn5 s MET 78 Cb -0.05 -2.50 0.03 0.00 2.01 0.00 0.00 34.83 34.32 2dn5 s MET 78 CO -0.03 0.61 0.01 0.08 -0.01 0.00 0.00 175.02 175.68 2dn5 s VAL 79 N -0.97 0.34 -0.40 -6.03 1.01 0.20 -4.61 120.40 109.93 2dn5 s VAL 79 Ca 0.16 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.97 2dn5 s VAL 79 Cb -0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 2dn5 s VAL 79 CO 0.07 0.22 1.68 -0.63 0.00 0.00 0.00 175.10 176.44 2dn5 s ILE 80 N 1.98 3.60 -0.09 2.22 -1.09 -1.26 0.19 121.20 126.75 2dn5 s ILE 80 Ca 0.05 0.58 -0.10 0.00 -2.23 0.00 0.00 60.65 58.94 2dn5 s ILE 80 Cb -0.13 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2dn5 s ILE 80 CO -0.05 -0.61 0.35 0.40 -1.23 0.00 0.00 174.94 173.80 2dn5 h ILE 81 N 6.70 0.43 -3.30 2.92 1.08 -1.77 -3.45 117.51 120.12 2dn5 h ILE 81 Ca -0.31 -1.20 -0.56 0.00 -0.39 0.00 0.00 64.86 62.40 2dn5 h ILE 81 Cb 1.15 0.79 -0.37 0.00 -3.07 0.00 0.00 36.82 35.32 2dn5 h ILE 81 CO 1.08 0.14 -0.80 0.21 -0.69 0.00 0.00 178.15 178.08 2dn5 s ASN 82 N -5.57 2.79 0.01 1.72 3.84 -0.63 -4.99 114.94 112.12 2dn5 s ASN 82 Ca -0.06 -0.62 -0.30 0.00 0.21 0.00 0.00 52.86 52.09 2dn5 s ASN 82 Cb -0.00 -0.97 -0.04 0.00 -0.55 0.00 0.00 41.25 39.69 2dn5 s ASN 82 CO 0.22 -0.16 1.10 -1.58 -2.79 0.00 0.00 177.10 173.90 2dn5 s GLN 83 N 1.60 4.47 -0.41 0.43 0.74 -1.26 -4.67 119.66 120.55 2dn5 s GLN 83 Ca 0.02 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 57.01 2dn5 s GLN 83 Cb -0.15 -3.43 0.20 0.00 1.10 0.00 0.00 33.01 30.73 2dn5 s GLN 83 CO -0.08 -0.21 0.94 -1.12 -0.55 0.00 0.00 175.29 174.27 2dn5 s SER 84 N 1.10 -0.77 -0.30 6.67 0.01 -1.26 -5.13 113.70 114.02 2dn5 s SER 84 Ca 0.55 -0.88 -0.15 0.00 1.31 0.00 0.00 55.95 56.78 2dn5 s SER 84 Cb -0.25 1.01 0.17 0.00 0.21 0.00 0.00 66.02 67.16 2dn5 s SER 84 CO 0.27 -0.03 1.05 -0.83 0.41 0.00 0.00 173.24 174.11 2dn5 s GLY 85 N 1.00 -0.16 -0.08 3.44 0.00 -1.26 -5.06 107.32 105.20 2dn5 s GLY 85 Ca 0.25 3.07 -0.23 0.00 0.00 0.00 0.00 44.72 47.82 2dn5 s GLY 85 CO -0.09 3.40 0.86 -0.56 0.00 0.00 0.00 173.10 176.72 2dn5 h PRO 86 N 7.54 -0.08 -3.28 2.90 0.13 -2.06 -3.48 132.00 133.68 2dn5 h PRO 86 Ca -0.15 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 2dn5 h PRO 86 Cb 1.13 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 2dn5 h PRO 86 CO 0.04 0.51 0.02 -1.54 -0.23 0.00 0.00 178.00 176.80 2dn5 s SER 87 N -5.77 -0.32 -0.34 1.44 1.04 -1.26 -5.14 113.70 103.36 2dn5 s SER 87 Ca -0.14 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2dn5 s SER 87 Cb -0.00 0.53 0.19 0.00 0.10 0.00 0.00 66.02 66.84 2dn5 s SER 87 CO 0.55 -0.93 0.70 -0.55 0.98 0.00 0.00 173.24 173.99 2dn5 s SER 88 N -2.81 -1.34 0.00 7.02 0.15 -1.26 -5.22 113.70 110.24 2dn5 s SER 88 Ca 0.04 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dn5 s SER 88 Cb 0.00 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.08 2dn5 s SER 88 CO -0.10 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.75