#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 0.00 -2.71 1.61 7.64 -1.26 -4.71 113.62 114.20 2dn5 n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2dn5 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dn5 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn5 n SER 3 N 1.53 -7.70 0.00 6.43 7.64 -1.26 -5.07 113.62 115.20 2dn5 n SER 3 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2dn5 n SER 3 Cb 0.00 -5.15 0.00 0.00 -1.01 0.00 0.00 64.21 58.05 2dn5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn5 n GLY 4 N 0.24 3.62 2.89 0.23 0.00 -1.26 -5.06 105.19 105.85 2dn5 n GLY 4 Ca 0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 2dn5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn5 n SER 5 N 0.00 -5.54 -4.56 1.61 2.88 -1.26 -4.69 113.62 102.06 2dn5 n SER 5 Ca 0.00 1.06 -0.30 0.00 -1.33 0.00 0.00 58.87 58.30 2dn5 n SER 5 Cb 0.00 -3.51 -0.05 0.00 -0.75 0.00 0.00 64.21 59.91 2dn5 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn5 s SER 6 N -0.83 5.22 -0.21 -3.46 0.01 -1.26 -4.64 113.70 108.52 2dn5 s SER 6 Ca -0.08 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 2dn5 s SER 6 Cb 0.01 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.57 2dn5 s SER 6 CO 0.41 -2.62 -0.24 0.61 0.41 0.00 0.00 173.24 171.81 2dn5 n GLY 7 N 6.59 -0.32 0.35 3.44 0.00 -1.26 -4.55 105.19 109.45 2dn5 n GLY 7 Ca 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.44 -1.20 -0.58 0.99 3.38 -1.96 -0.03 115.31 115.46 2dn5 h LEU 8 Ca -0.51 0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2dn5 h LEU 8 Cb 1.58 0.64 -0.07 0.00 0.09 0.00 0.00 40.66 42.89 2dn5 h LEU 8 CO -0.22 -0.29 -0.34 -1.14 0.09 0.00 0.00 178.44 176.53 2dn5 n ARG 9 N -5.47 -0.26 -0.10 1.13 3.00 -1.26 0.54 116.66 114.25 2dn5 n ARG 9 Ca 0.08 1.28 -0.06 0.00 -0.00 0.00 0.00 57.85 59.16 2dn5 n ARG 9 Cb 0.39 -1.90 0.00 0.00 0.00 0.00 0.00 32.46 30.95 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 -0.03 -0.58 -0.14 4.39 -1.32 0.13 114.58 117.02 2dn5 h GLU 10 Ca 0.09 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.91 2dn5 h GLU 10 Cb 0.24 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.79 2dn5 h GLU 10 CO -0.55 -0.02 -0.09 1.96 -1.16 0.00 0.00 179.01 179.15 2dn5 h GLN 11 N -0.04 0.04 -0.45 2.33 4.20 0.10 0.15 115.11 121.45 2dn5 h GLN 11 Ca 0.17 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2dn5 h GLN 11 Cb 0.30 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2dn5 h GLN 11 CO -0.38 0.02 0.26 0.28 -0.67 0.00 0.00 178.83 178.34 2dn5 h VAL 12 N 0.04 1.15 -0.19 -0.54 2.07 0.13 0.97 116.25 119.89 2dn5 h VAL 12 Ca 0.29 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2dn5 h VAL 12 Cb 0.45 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.73 2dn5 h VAL 12 CO -0.56 0.16 -0.31 0.11 0.02 0.00 0.00 177.57 176.98 2dn5 h LYS 13 N 0.59 -0.34 -0.46 1.57 1.57 0.17 0.13 116.57 119.79 2dn5 h LYS 13 Ca 0.16 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2dn5 h LYS 13 Cb 0.03 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2dn5 h LYS 13 CO -0.03 -0.23 0.23 0.93 -0.57 0.00 0.00 179.45 179.78 2dn5 h GLU 14 N -0.36 0.64 0.19 3.15 5.08 -0.54 -0.80 114.58 121.95 2dn5 h GLU 14 Ca 0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2dn5 h GLU 14 Cb 0.54 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dn5 h GLU 14 CO -0.39 0.50 -0.14 1.25 -1.00 0.00 0.00 179.01 179.24 2dn5 h LEU 15 N 0.65 -0.35 -1.16 1.33 5.85 0.16 1.54 115.31 123.32 2dn5 h LEU 15 Ca 0.16 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.09 2dn5 h LEU 15 Cb 0.07 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2dn5 h LEU 15 CO -0.02 -0.20 0.61 -0.26 -0.34 0.00 0.00 178.44 178.23 2dn5 h PHE 16 N -0.31 0.92 -0.39 1.25 0.04 -0.81 0.35 116.94 117.99 2dn5 h PHE 16 Ca -0.03 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2dn5 h PHE 16 Cb 0.26 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2dn5 h PHE 16 CO 0.00 0.24 -0.26 -0.91 -0.60 0.00 0.00 178.31 176.78 2dn5 h ASN 17 N 0.69 0.82 -0.30 2.17 4.21 -0.81 -1.84 115.58 120.51 2dn5 h ASN 17 Ca 0.54 -0.31 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 2dn5 h ASN 17 Cb 0.93 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 2dn5 h ASN 17 CO -0.30 1.03 0.10 -0.33 -1.29 0.00 0.00 177.43 176.64 2dn5 h GLU 18 N 0.69 0.46 0.22 0.81 4.39 0.60 0.68 114.58 122.43 2dn5 h GLU 18 Ca 0.09 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dn5 h GLU 18 Cb 0.78 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2dn5 h GLU 18 CO 0.06 0.51 -0.20 0.87 -1.16 0.00 0.00 179.01 179.09 2dn5 h LYS 19 N 0.33 -0.43 -0.63 2.33 1.79 -0.73 -2.27 116.57 116.96 2dn5 h LYS 19 Ca 0.10 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.72 2dn5 h LYS 19 Cb 0.23 0.10 -0.12 0.00 -1.58 0.00 0.00 32.23 30.86 2dn5 h LYS 19 CO -0.00 -0.29 -0.19 -0.92 -1.08 0.00 0.00 179.45 176.97 2dn5 h TYR 20 N -0.45 -0.44 -0.11 -1.35 3.20 -1.23 0.37 116.97 116.97 2dn5 h TYR 20 Ca -0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2dn5 h TYR 20 Cb 0.41 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 2dn5 h TYR 20 CO -0.14 -0.30 -0.35 0.78 -1.64 0.00 0.00 178.16 176.51 2dn5 h GLY 21 N -0.03 -0.54 0.85 1.82 0.00 -1.00 0.99 103.07 105.16 2dn5 h GLY 21 Ca 0.30 0.44 0.04 0.00 0.00 0.00 0.00 47.33 48.10 2dn5 h GLY 21 CO -0.67 -0.23 0.54 0.83 0.00 0.00 0.00 176.54 177.01 2dn5 h GLU 22 N -0.45 1.01 -0.51 4.80 5.08 -0.64 0.63 114.58 124.50 2dn5 h GLU 22 Ca 0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2dn5 h GLU 22 Cb 0.58 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2dn5 h GLU 22 CO -0.35 0.67 0.09 0.00 -1.00 0.00 0.00 179.01 178.42 2dn5 h ALA 23 N 1.36 1.20 0.00 3.43 0.00 0.85 0.53 119.26 126.64 2dn5 h ALA 23 Ca 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2dn5 h ALA 23 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2dn5 h ALA 23 CO -0.12 0.54 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2dn5 n LEU 24 N -4.26 0.00 -0.08 0.00 4.77 0.33 -4.46 117.00 113.30 2dn5 n LEU 24 Ca 0.03 0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 56.34 2dn5 n LEU 24 Cb 0.24 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2dn5 n LEU 24 CO 0.40 -0.14 -0.01 0.61 -1.33 0.00 0.00 177.39 176.92 2dn5 n GLY 25 N 0.21 0.48 2.76 -0.72 0.00 0.18 -5.03 105.19 103.07 2dn5 n GLY 25 Ca 0.07 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.12 0.00 -0.26 0.99 4.77 0.08 -4.99 117.00 117.47 2dn5 n LEU 26 Ca -0.01 -1.62 0.08 0.00 -0.03 0.00 0.00 56.01 54.43 2dn5 n LEU 26 Cb 0.04 -0.39 0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2dn5 n LEU 26 CO 0.02 -0.76 0.48 -3.20 -1.33 0.00 0.00 177.39 172.60 2dn5 n ASN 27 N -2.75 1.98 -3.95 -1.43 2.85 -1.26 -4.21 115.26 106.49 2dn5 n ASN 27 Ca 0.12 -3.15 -0.09 0.00 -0.11 0.00 0.00 54.58 51.34 2dn5 n ASN 27 Cb 0.42 -0.43 -0.10 0.00 1.24 0.00 0.00 39.78 40.91 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 -2.65 0.49 0.20 1.20 1.70 -1.26 -5.06 118.95 113.56 2dn5 s ARG 28 Ca 0.31 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 2dn5 s ARG 28 Cb 0.28 0.18 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 2dn5 s ARG 28 CO 0.00 -0.11 1.11 -1.25 -1.08 0.00 0.00 175.30 173.97 2dn5 s PRO 29 N -2.20 4.59 0.01 3.89 0.04 -1.26 -4.08 135.00 135.99 2dn5 s PRO 29 Ca -0.09 1.75 0.03 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 0.09 -0.11 0.08 0.04 0.00 0.00 177.00 177.07 2dn5 s VAL 30 N -0.40 0.86 0.74 -0.36 1.01 0.17 -4.90 120.40 117.51 2dn5 s VAL 30 Ca 0.49 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2dn5 s VAL 30 Cb -0.30 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.35 2dn5 s VAL 30 CO 0.36 0.14 1.01 0.18 0.00 0.00 0.00 175.10 176.80 2dn5 n LEU 31 N 2.54 3.73 -4.51 3.92 4.77 -1.26 -4.14 117.00 122.06 2dn5 n LEU 31 Ca -0.15 0.66 -0.38 0.00 -0.03 0.00 0.00 56.01 56.11 2dn5 n LEU 31 Cb 0.56 -1.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 2dn5 n LEU 31 CO 0.24 -1.95 -0.21 -0.69 -1.33 0.00 0.00 177.39 173.45 2dn5 s VAL 32 N -1.85 4.85 -1.17 4.08 1.01 -1.26 -4.86 120.40 121.20 2dn5 s VAL 32 Ca 0.74 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 2dn5 s VAL 32 Cb -0.34 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 2dn5 s VAL 32 CO 0.50 0.23 2.29 -0.81 0.00 0.00 0.00 175.10 177.32 2dn5 n PRO 33 N 5.00 2.49 -0.30 2.72 -0.04 -1.26 -4.67 135.00 138.95 2dn5 n PRO 33 Ca -0.15 -1.97 0.09 0.00 -0.04 0.00 0.00 63.50 61.43 2dn5 n PRO 33 Cb 0.51 -2.82 0.25 0.00 -0.04 0.00 0.00 33.50 31.39 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 6.32 0.76 -0.88 0.54 0.05 -1.97 0.17 116.97 121.96 2dn5 h TYR 34 Ca 0.58 0.04 0.21 0.00 0.05 0.00 0.00 58.73 59.61 2dn5 h TYR 34 Cb 0.41 -0.21 -0.12 0.00 1.01 0.00 0.00 36.73 37.82 2dn5 h TYR 34 CO 1.66 0.14 0.36 -0.22 -1.05 0.00 0.00 178.16 179.05 2dn5 h LYS 35 N 0.59 0.36 0.14 4.88 3.64 -1.99 1.20 116.57 125.39 2dn5 h LYS 35 Ca 0.49 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2dn5 h LYS 35 Cb 0.75 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2dn5 h LYS 35 CO -0.40 0.24 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.88 2dn5 h LEU 36 N 0.37 -0.16 -1.22 5.20 3.38 -1.12 -3.01 115.31 118.75 2dn5 h LEU 36 Ca 0.54 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.96 2dn5 h LEU 36 Cb 1.03 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 2dn5 h LEU 36 CO -0.54 0.05 0.73 0.40 0.09 0.00 0.00 178.44 179.17 2dn5 h ILE 37 N -0.52 0.04 0.09 1.22 2.04 -0.70 1.70 117.51 121.38 2dn5 h ILE 37 Ca -0.02 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2dn5 h ILE 37 Cb 0.15 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 2dn5 h ILE 37 CO 0.03 0.01 -0.13 -0.09 0.00 0.00 0.00 178.15 177.97 2dn5 h ARG 38 N 0.04 -0.26 -0.03 2.37 9.65 0.14 -2.65 114.38 123.64 2dn5 h ARG 38 Ca 0.85 0.02 -0.21 0.00 -1.10 0.00 0.00 59.98 59.54 2dn5 h ARG 38 Cb 2.50 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 31.14 2dn5 h ARG 38 CO -0.59 -0.17 -0.87 0.22 2.80 0.00 0.00 179.97 181.37 2dn5 h ASP 39 N -0.27 0.54 -3.59 -3.80 3.58 0.14 -3.39 116.42 109.64 2dn5 h ASP 39 Ca 0.02 -0.41 -0.70 0.00 0.42 0.00 0.00 57.03 56.36 2dn5 h ASP 39 Cb 0.28 -0.16 -0.34 0.00 1.72 0.00 0.00 39.33 40.82 2dn5 h ASP 39 CO -0.07 1.19 -0.49 -0.55 -2.88 0.00 0.00 179.24 176.44 2dn5 s SER 40 N -7.05 5.31 0.32 2.28 0.15 0.48 -4.91 113.70 110.28 2dn5 s SER 40 Ca -0.06 -2.18 0.26 0.00 0.70 0.00 0.00 55.95 54.67 2dn5 s SER 40 Cb 0.09 -1.86 0.89 0.00 -1.71 0.00 0.00 66.02 63.44 2dn5 s SER 40 CO 0.86 -0.53 1.76 1.55 1.20 0.00 0.00 173.24 178.09 2dn5 h PRO 41 N 7.90 0.00 -1.85 5.44 0.13 -1.70 -3.18 132.00 138.73 2dn5 h PRO 41 Ca -0.12 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.29 2dn5 h PRO 41 Cb 1.03 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.86 2dn5 h PRO 41 CO 0.72 0.00 0.67 -3.47 -0.23 0.00 0.00 178.00 175.69 2dn5 n ASP 42 N -2.51 6.93 0.01 1.44 2.03 -1.26 -4.43 116.55 118.76 2dn5 n ASP 42 Ca 0.03 -3.81 0.00 0.00 0.52 0.00 0.00 54.79 51.53 2dn5 n ASP 42 Cb 0.35 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 -0.54 3.00 -2.84 -1.67 0.00 -1.20 -3.49 120.51 113.77 2dn5 n ALA 43 Ca 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2dn5 n ALA 43 Cb 0.34 0.43 -0.14 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 0.18 -0.20 0.00 1.01 -1.26 -0.33 120.40 117.80 2dn5 s VAL 44 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 2dn5 s VAL 44 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 36.15 2dn5 s VAL 44 CO 0.00 -0.02 0.11 -0.70 0.00 0.00 0.00 175.10 174.49 2dn5 s GLU 45 N -0.24 4.08 -0.17 2.72 2.12 0.56 -4.79 118.70 122.98 2dn5 s GLU 45 Ca -0.01 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2dn5 s GLU 45 Cb -0.02 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2dn5 s GLU 45 CO -0.00 0.24 -0.15 0.08 -0.54 0.00 0.00 175.26 174.88 2dn5 s VAL 46 N 0.52 2.55 0.24 3.70 1.01 -1.26 0.47 120.40 127.64 2dn5 s VAL 46 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2dn5 s VAL 46 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2dn5 s VAL 46 CO 0.00 0.51 0.23 0.42 0.00 0.00 0.00 175.10 176.26 2dn5 s THR 47 N 1.04 0.00 0.00 3.92 -4.23 0.60 -4.86 115.64 112.10 2dn5 s THR 47 Ca -0.01 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2dn5 s THR 47 Cb -0.15 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.22 2dn5 s THR 47 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2dn5 n GLY 48 N -0.37 3.02 3.14 3.99 0.00 -1.26 0.19 105.19 113.90 2dn5 n GLY 48 Ca 0.02 0.00 -0.35 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 -3.40 -4.79 0.99 4.77 -1.26 -3.83 117.00 109.47 2dn5 n LEU 49 Ca 0.00 0.13 -0.35 0.00 -0.03 0.00 0.00 56.01 55.76 2dn5 n LEU 49 Cb 0.00 -0.84 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 2dn5 n LEU 49 CO 0.00 -4.24 0.72 -2.16 -1.33 0.00 0.00 177.39 170.39 2dn5 s PRO 50 N -2.62 3.94 0.46 3.23 0.04 -1.26 -4.94 135.00 133.85 2dn5 s PRO 50 Ca 0.46 1.42 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 2dn5 s PRO 50 Cb -0.11 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.08 2dn5 s PRO 50 CO 0.73 -0.32 1.32 0.16 0.04 0.00 0.00 177.00 178.93 2dn5 s ASP 51 N -1.81 5.96 -0.83 6.66 -4.77 -1.26 -2.41 116.67 118.20 2dn5 s ASP 51 Ca 0.64 2.69 -0.00 0.00 -3.30 0.00 0.00 52.55 52.57 2dn5 s ASP 51 Cb -0.19 -2.64 0.00 0.00 -1.09 0.00 0.00 42.92 39.01 2dn5 s ASP 51 CO 0.23 -1.10 0.03 -0.67 0.70 0.00 0.00 175.17 174.37 2dn5 n ASP 52 N -0.29 -3.37 -3.65 2.11 2.03 -1.26 -5.01 116.55 107.10 2dn5 n ASP 52 Ca 0.06 -0.02 -0.12 0.00 0.52 0.00 0.00 54.79 55.23 2dn5 n ASP 52 Cb 0.44 -2.60 -0.12 0.00 -0.72 0.00 0.00 41.12 38.13 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 -2.53 -0.49 0.00 5.18 1.01 -1.01 -5.11 121.20 118.24 2dn5 s ILE 53 Ca 0.02 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.89 2dn5 s ILE 53 Cb -0.01 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.93 2dn5 s ILE 53 CO 0.02 0.09 0.00 -0.81 0.00 0.00 0.00 174.94 174.24 2dn5 n PRO 54 N 5.36 0.53 -3.75 2.79 -0.04 -1.26 -4.60 135.00 134.03 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 33.81 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 -0.31 1.95 0.28 0.54 5.36 -1.26 -4.94 117.98 119.60 2dn5 s PHE 55 Ca 0.00 -2.04 0.02 0.00 -0.96 0.00 0.00 56.93 53.96 2dn5 s PHE 55 Cb 0.00 -1.86 -0.03 0.00 -0.34 0.00 0.00 43.02 40.79 2dn5 s PHE 55 CO 0.00 -0.86 0.25 1.03 -1.46 0.00 0.00 175.22 174.19 2dn5 s ARG 56 N 1.21 1.56 0.10 10.12 0.52 -1.26 -5.06 118.95 126.14 2dn5 s ARG 56 Ca 0.12 -1.81 -0.33 0.00 -0.52 0.00 0.00 55.73 53.19 2dn5 s ARG 56 Cb -0.19 0.32 -0.18 0.00 0.52 0.00 0.00 34.95 35.42 2dn5 s ARG 56 CO -0.16 -0.57 0.76 -1.71 0.02 0.00 0.00 175.30 173.64 2dn5 n ASN 57 N -1.00 -0.66 0.00 0.23 2.85 -1.26 -4.78 115.26 110.63 2dn5 n ASN 57 Ca 0.04 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.74 2dn5 n ASN 57 Cb 0.64 -0.92 0.49 0.00 1.24 0.00 0.00 39.78 41.23 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 1.21 0.08 -2.73 1.20 -0.04 -1.26 -4.11 135.00 129.35 2dn5 n PRO 58 Ca 0.19 0.11 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 2dn5 n PRO 58 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 5.53 0.00 3.54 2.85 -1.26 -3.77 115.26 120.70 2dn5 n ASN 59 Ca 0.07 -3.16 0.00 0.00 -0.11 0.00 0.00 54.58 51.37 2dn5 n ASN 59 Cb 0.24 -1.43 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 2.93 0.00 -0.26 -0.44 5.66 -1.26 -5.15 114.28 115.76 2dn5 n THR 60 Ca 0.34 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.24 2dn5 n THR 60 Cb 0.37 0.00 0.09 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 0.00 -1.97 -4.61 1.09 4.01 -1.25 -5.05 117.16 109.39 2dn5 n TYR 61 Ca 0.00 -0.07 -0.28 0.00 -0.16 0.00 0.00 57.90 57.38 2dn5 n TYR 61 Cb 0.00 -0.75 -0.07 0.00 -0.31 0.00 0.00 39.34 38.21 2dn5 n TYR 61 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2dn5 n ASP 62 N -1.71 2.24 -0.32 7.72 9.92 -1.26 -4.90 116.55 128.25 2dn5 n ASP 62 Ca 0.04 -3.16 0.10 0.00 -0.53 0.00 0.00 54.79 51.24 2dn5 n ASP 62 Cb 0.19 0.70 0.27 0.00 -0.64 0.00 0.00 41.12 41.64 2dn5 n ASP 62 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 2dn5 h ILE 63 N 1.47 0.68 0.00 0.53 2.10 -1.97 0.89 117.51 121.21 2dn5 h ILE 63 Ca -0.36 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.36 2dn5 h ILE 63 Cb 1.22 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.95 2dn5 h ILE 63 CO 0.59 0.12 0.00 1.41 -1.08 0.00 0.00 178.15 179.18 2dn5 n HIS 64 N -4.87 0.00 -0.29 2.19 8.25 -1.26 -0.02 115.22 119.21 2dn5 n HIS 64 Ca 0.20 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.68 2dn5 n HIS 64 Cb 0.51 -0.33 0.10 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.01 0.17 -0.41 3.08 -1.90 1.68 114.38 117.00 2dn5 h ARG 65 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2dn5 h ARG 65 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2dn5 h ARG 65 CO 0.00 -0.00 -0.36 -0.07 -1.07 0.00 0.00 179.97 178.47 2dn5 h LEU 66 N -0.01 -1.03 0.98 3.04 3.38 0.77 0.27 115.31 122.71 2dn5 h LEU 66 Ca 0.39 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.43 2dn5 h LEU 66 Cb 0.61 0.38 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2dn5 h LEU 66 CO -0.86 -0.45 -0.47 -0.33 0.09 0.00 0.00 178.44 176.42 2dn5 h GLU 67 N -0.62 -1.27 -0.58 1.13 4.39 0.25 -1.15 114.58 116.73 2dn5 h GLU 67 Ca 0.02 0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.86 2dn5 h GLU 67 Cb 0.63 0.29 -0.07 0.00 -0.10 0.00 0.00 28.75 29.49 2dn5 h GLU 67 CO -0.18 -0.85 -0.38 0.87 -1.16 0.00 0.00 179.01 177.30 2dn5 h LYS 68 N -1.33 -0.05 -0.71 2.33 1.79 0.25 1.46 116.57 120.30 2dn5 h LYS 68 Ca -0.14 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.48 2dn5 h LYS 68 Cb 1.01 0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.54 2dn5 h LYS 68 CO 0.22 -0.03 -0.23 0.82 -1.08 0.00 0.00 179.45 179.15 2dn5 h ILE 69 N -0.05 0.23 -0.53 1.86 2.04 -0.43 1.42 117.51 122.04 2dn5 h ILE 69 Ca 0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2dn5 h ILE 69 Cb 0.30 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 2dn5 h ILE 69 CO -0.57 0.00 0.35 -0.07 0.00 0.00 0.00 178.15 177.86 2dn5 h LEU 70 N -0.04 0.57 -0.98 1.44 3.38 0.11 0.75 115.31 120.54 2dn5 h LEU 70 Ca 0.33 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2dn5 h LEU 70 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dn5 h LEU 70 CO -0.75 0.41 0.00 0.11 0.09 0.00 0.00 178.44 178.30 2dn5 h LYS 71 N 0.67 0.00 -0.03 1.13 1.57 1.21 -2.00 116.57 119.13 2dn5 h LYS 71 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2dn5 h LYS 71 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2dn5 h LYS 71 CO -0.05 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.83 2dn5 n ALA 72 N -1.89 2.23 -0.15 3.86 0.00 0.13 -4.69 120.51 119.99 2dn5 n ALA 72 Ca 0.02 -2.09 0.14 0.00 0.00 0.00 0.00 53.44 51.50 2dn5 n ALA 72 Cb 0.26 -0.29 0.49 0.00 0.00 0.00 0.00 19.45 19.91 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 0.43 0.00 0.00 0.11 0.11 1.59 114.38 116.78 2dn5 h ARG 73 Ca 0.00 -0.03 -0.17 0.00 0.10 0.00 0.00 59.98 59.89 2dn5 h ARG 73 Cb 0.87 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.83 2dn5 h ARG 73 CO 0.01 0.29 -0.79 0.93 0.10 0.00 0.00 179.97 180.51 2dn5 h GLU 74 N 0.44 0.00 0.23 0.08 4.39 -1.84 -3.27 114.58 114.63 2dn5 h GLU 74 Ca 0.35 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.73 2dn5 h GLU 74 Cb 0.74 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2dn5 h GLU 74 CO -0.11 0.79 -1.45 0.45 -1.16 0.00 0.00 179.01 177.53 2dn5 h HIS 75 N 0.00 0.90 -1.86 4.33 3.86 -0.82 -3.45 115.15 118.11 2dn5 h HIS 75 Ca -0.01 -0.66 -0.65 0.00 -1.16 0.00 0.00 60.37 57.89 2dn5 h HIS 75 Cb 1.54 -0.04 0.06 0.00 1.06 0.00 0.00 27.41 30.03 2dn5 h HIS 75 CO 0.00 1.56 0.49 0.28 0.86 0.00 0.00 177.93 181.12 2dn5 n VAL 76 N -3.75 0.16 -3.77 2.45 0.31 0.51 -4.05 118.33 110.18 2dn5 n VAL 76 Ca -0.18 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 2dn5 n VAL 76 Cb 1.07 -0.97 -0.13 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.41 0.22 -0.00 5.55 6.06 0.49 -4.89 118.95 126.79 2dn5 s ARG 77 Ca 0.81 0.39 0.02 0.00 -2.50 0.00 0.00 55.73 54.45 2dn5 s ARG 77 Cb -0.88 0.01 -0.03 0.00 0.06 0.00 0.00 34.95 34.11 2dn5 s ARG 77 CO 0.46 -0.09 -0.03 -1.64 -2.50 0.00 0.00 175.30 171.50 2dn5 s MET 78 N 0.61 2.68 -0.08 5.12 -1.94 -1.26 -0.29 119.30 124.14 2dn5 s MET 78 Ca -0.04 -0.66 -0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2dn5 s MET 78 Cb -0.05 -2.60 0.04 0.00 2.01 0.00 0.00 34.83 34.22 2dn5 s MET 78 CO -0.03 0.62 0.05 0.08 -0.01 0.00 0.00 175.02 175.72 2dn5 s VAL 79 N -1.04 0.04 -0.41 -6.03 1.01 0.18 -4.50 120.40 109.64 2dn5 s VAL 79 Ca 0.18 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 2dn5 s VAL 79 Cb -0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2dn5 s VAL 79 CO 0.09 0.09 1.92 -0.63 0.00 0.00 0.00 175.10 176.57 2dn5 s ILE 80 N 2.10 3.35 -0.10 2.22 -1.09 -1.26 0.21 121.20 126.63 2dn5 s ILE 80 Ca 0.04 0.32 -0.14 0.00 -2.23 0.00 0.00 60.65 58.64 2dn5 s ILE 80 Cb -0.13 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.03 2dn5 s ILE 80 CO -0.05 -0.46 0.44 0.40 -1.23 0.00 0.00 174.94 174.04 2dn5 h ILE 81 N 6.95 0.79 -2.74 2.92 1.08 -1.56 -3.44 117.51 121.52 2dn5 h ILE 81 Ca -0.31 -1.50 -0.58 0.00 -0.39 0.00 0.00 64.86 62.08 2dn5 h ILE 81 Cb 1.18 1.47 -0.39 0.00 -3.07 0.00 0.00 36.82 36.00 2dn5 h ILE 81 CO 1.09 0.26 -0.81 0.21 -0.69 0.00 0.00 178.15 178.20 2dn5 s ASN 82 N -5.76 3.28 0.80 1.72 3.84 0.55 -4.92 114.94 114.44 2dn5 s ASN 82 Ca -0.09 -2.03 -0.12 0.00 0.21 0.00 0.00 52.86 50.83 2dn5 s ASN 82 Cb -0.01 -0.52 0.08 0.00 -0.55 0.00 0.00 41.25 40.24 2dn5 s ASN 82 CO 0.34 -0.34 1.15 0.00 -2.79 0.00 0.00 177.10 175.46 2dn5 s GLN 83 N 1.21 1.83 0.32 0.43 -2.07 -1.26 -4.42 119.66 115.71 2dn5 s GLN 83 Ca 0.15 1.53 0.00 0.00 -1.82 0.00 0.00 55.36 55.22 2dn5 s GLN 83 Cb -0.21 -1.82 0.00 0.00 -1.09 0.00 0.00 33.01 29.89 2dn5 s GLN 83 CO -0.09 -2.02 0.00 0.45 -1.32 0.00 0.00 175.29 172.31 2dn5 n SER 84 N -3.39 -1.19 -3.60 12.60 2.88 -1.26 -5.10 113.62 114.55 2dn5 n SER 84 Ca 0.12 0.57 -0.02 0.00 -1.33 0.00 0.00 58.87 58.20 2dn5 n SER 84 Cb 0.52 1.28 -0.06 0.00 -0.75 0.00 0.00 64.21 65.20 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 -4.12 -0.23 0.92 0.46 0.00 -1.26 -5.18 107.32 97.91 2dn5 s GLY 85 Ca 0.00 2.91 -0.15 0.00 0.00 0.00 0.00 44.72 47.48 2dn5 s GLY 85 CO 0.00 2.71 1.01 -1.55 0.00 0.00 0.00 173.10 175.28 2dn5 n PRO 86 N 4.21 -1.91 -3.64 2.90 -0.04 -1.26 -5.08 135.00 130.17 2dn5 n PRO 86 Ca -0.17 -1.59 -0.05 0.00 -0.04 0.00 0.00 63.50 61.65 2dn5 n PRO 86 Cb 0.56 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.71 2dn5 n PRO 86 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dn5 s SER 87 N -4.52 -0.39 0.22 3.54 0.01 -1.26 -5.17 113.70 106.13 2dn5 s SER 87 Ca 0.61 0.70 0.08 0.00 1.31 0.00 0.00 55.95 58.65 2dn5 s SER 87 Cb -0.04 0.88 -0.04 0.00 0.21 0.00 0.00 66.02 67.03 2dn5 s SER 87 CO 0.45 -0.12 0.01 -0.44 0.41 0.00 0.00 173.24 173.55 2dn5 s SER 88 N 0.61 4.69 0.00 2.44 0.01 -1.26 -4.10 113.70 116.08 2dn5 s SER 88 Ca -0.01 -0.51 0.29 0.00 1.31 0.00 0.00 55.95 57.03 2dn5 s SER 88 Cb -0.04 -0.95 1.18 0.00 0.21 0.00 0.00 66.02 66.42 2dn5 s SER 88 CO -0.11 0.04 1.82 0.61 0.41 0.00 0.00 173.24 176.01