#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 -4.02 -1.73 1.61 2.88 -1.26 -4.77 113.62 106.33 2dn5 n SER 2 Ca 0.00 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 2dn5 n SER 2 Cb 0.00 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 2dn5 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn5 n SER 3 N 1.92 -7.45 0.00 -3.46 7.64 -1.26 -4.72 113.62 106.28 2dn5 n SER 3 Ca -0.21 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2dn5 n SER 3 Cb 0.32 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 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 1.49 2.87 3.25 0.23 0.00 -1.26 -4.88 105.19 106.89 2dn5 n GLY 4 Ca 0.00 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 3.66 -6.37 -3.64 1.61 7.64 -1.26 -4.95 113.62 110.31 2dn5 n SER 5 Ca 0.00 0.26 -0.29 0.00 1.01 0.00 0.00 58.87 59.85 2dn5 n SER 5 Cb 0.00 -2.35 -0.12 0.00 -1.01 0.00 0.00 64.21 60.72 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 -1.44 3.31 -0.07 6.43 0.01 -1.26 -4.82 113.70 115.86 2dn5 s SER 6 Ca 0.20 -2.71 -0.21 0.00 1.31 0.00 0.00 55.95 54.54 2dn5 s SER 6 Cb -0.03 -0.88 -0.17 0.00 0.21 0.00 0.00 66.02 65.15 2dn5 s SER 6 CO 0.55 -0.25 0.80 1.23 0.41 0.00 0.00 173.24 175.98 2dn5 h GLY 7 N 6.51 -0.13 -0.98 3.44 0.00 -2.00 -3.25 103.07 106.67 2dn5 h GLY 7 Ca 0.06 0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.60 2dn5 h GLY 7 CO 0.45 -0.05 -0.35 1.04 0.00 0.00 0.00 176.54 177.63 2dn5 n LEU 8 N -4.83 -0.56 -0.08 3.11 4.77 -1.26 0.06 117.00 118.20 2dn5 n LEU 8 Ca -0.07 1.70 -0.13 0.00 -0.03 0.00 0.00 56.01 57.48 2dn5 n LEU 8 Cb 0.28 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2dn5 n LEU 8 CO 0.25 -1.55 0.50 -0.09 -1.33 0.00 0.00 177.39 175.17 2dn5 h ARG 9 N 0.00 -0.40 -0.82 3.23 2.43 -1.91 0.55 114.38 117.45 2dn5 h ARG 9 Ca 0.37 0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.69 2dn5 h ARG 9 Cb 0.62 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.18 2dn5 h ARG 9 CO -0.98 -0.27 0.43 0.93 -1.51 0.00 0.00 179.97 178.57 2dn5 h GLU 10 N -0.42 0.65 0.45 0.20 4.39 -0.57 0.39 114.58 119.68 2dn5 h GLU 10 Ca 0.05 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2dn5 h GLU 10 Cb 0.56 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2dn5 h GLU 10 CO -0.47 0.43 -0.35 1.96 -1.16 0.00 0.00 179.01 179.41 2dn5 h GLN 11 N 0.67 -0.77 -0.97 2.33 4.20 0.17 -0.02 115.11 120.72 2dn5 h GLN 11 Ca 0.43 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.24 2dn5 h GLN 11 Cb 0.52 0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 2dn5 h GLN 11 CO -0.32 -0.51 0.63 0.28 -0.67 0.00 0.00 178.83 178.25 2dn5 h VAL 12 N -0.80 1.12 0.13 -0.54 2.07 0.70 0.02 116.25 118.95 2dn5 h VAL 12 Ca -0.04 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2dn5 h VAL 12 Cb 0.68 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2dn5 h VAL 12 CO -0.00 0.22 -0.38 0.11 0.02 0.00 0.00 177.57 177.53 2dn5 h LYS 13 N 1.18 -0.60 -0.34 1.57 1.57 0.38 0.79 116.57 121.12 2dn5 h LYS 13 Ca 0.40 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.23 2dn5 h LYS 13 Cb 0.10 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2dn5 h LYS 13 CO -0.14 -0.40 0.22 0.93 -0.57 0.00 0.00 179.45 179.49 2dn5 h GLU 14 N -0.62 0.42 0.00 3.15 4.39 -0.43 -0.66 114.58 120.83 2dn5 h GLU 14 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dn5 h GLU 14 Cb 0.65 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2dn5 h GLU 14 CO -0.22 0.28 0.00 -0.11 -1.16 0.00 0.00 179.01 177.80 2dn5 n LEU 15 N -4.49 0.00 -0.34 1.33 7.94 -0.06 0.18 117.00 121.57 2dn5 n LEU 15 Ca 0.02 0.98 0.19 0.00 -1.11 0.00 0.00 56.01 56.09 2dn5 n LEU 15 Cb 0.08 -0.48 0.42 0.00 0.53 0.00 0.00 43.42 43.97 2dn5 n LEU 15 CO 0.35 -0.48 1.19 -0.26 -1.11 0.00 0.00 177.39 177.08 2dn5 h PHE 16 N 0.00 0.88 -0.39 1.96 0.04 -0.82 0.42 116.94 119.03 2dn5 h PHE 16 Ca 0.00 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 2dn5 h PHE 16 Cb 0.00 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 2dn5 h PHE 16 CO 0.17 0.10 -0.17 -0.91 -0.60 0.00 0.00 178.31 176.91 2dn5 h ASN 17 N 0.54 0.83 -0.36 2.17 4.21 -0.93 -2.07 115.58 119.97 2dn5 h ASN 17 Ca 0.61 -0.40 0.01 0.00 1.21 0.00 0.00 56.30 57.74 2dn5 h ASN 17 Cb 1.27 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.22 2dn5 h ASN 17 CO -0.38 1.04 0.21 -0.33 -1.29 0.00 0.00 177.43 176.68 2dn5 h GLU 18 N 0.61 0.42 0.27 0.81 4.39 0.62 -0.91 114.58 120.80 2dn5 h GLU 18 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2dn5 h GLU 18 Cb 0.71 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2dn5 h GLU 18 CO 0.05 0.28 -0.29 0.87 -1.16 0.00 0.00 179.01 178.76 2dn5 h LYS 19 N 0.44 -0.58 -0.61 2.33 1.79 -0.77 -1.34 116.57 117.83 2dn5 h LYS 19 Ca 0.14 0.04 0.11 0.00 -2.18 0.00 0.00 60.65 58.76 2dn5 h LYS 19 Cb -0.01 0.13 -0.12 0.00 -1.58 0.00 0.00 32.23 30.66 2dn5 h LYS 19 CO -0.06 -0.39 -0.29 -0.92 -1.08 0.00 0.00 179.45 176.72 2dn5 h TYR 20 N -0.60 -0.77 0.17 -1.35 3.20 -1.11 0.64 116.97 117.15 2dn5 h TYR 20 Ca -0.01 0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2dn5 h TYR 20 Cb 0.56 0.43 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 2dn5 h TYR 20 CO -0.19 -0.36 -0.45 0.78 -1.64 0.00 0.00 178.16 176.30 2dn5 h GLY 21 N -0.12 -0.95 0.49 1.82 0.00 -0.94 0.84 103.07 104.21 2dn5 h GLY 21 Ca 0.26 0.54 0.08 0.00 0.00 0.00 0.00 47.33 48.20 2dn5 h GLY 21 CO -0.68 -0.28 0.22 0.83 0.00 0.00 0.00 176.54 176.63 2dn5 h GLU 22 N -0.72 0.40 -0.53 4.80 5.08 -0.22 0.89 114.58 124.29 2dn5 h GLU 22 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2dn5 h GLU 22 Cb 0.72 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2dn5 h GLU 22 CO -0.23 0.27 0.26 0.00 -1.00 0.00 0.00 179.01 178.32 2dn5 h ALA 23 N 1.37 1.48 0.00 3.43 0.00 0.91 0.26 119.26 126.71 2dn5 h ALA 23 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dn5 h ALA 23 Cb 0.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dn5 h ALA 23 CO -0.26 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2dn5 n LEU 24 N -4.38 0.00 -0.28 0.00 4.77 0.29 -4.59 117.00 112.80 2dn5 n LEU 24 Ca 0.04 0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 56.40 2dn5 n LEU 24 Cb 0.12 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2dn5 n LEU 24 CO 0.37 -0.17 -0.03 0.61 -1.33 0.00 0.00 177.39 176.84 2dn5 n GLY 25 N 0.22 0.44 0.98 -0.72 0.00 0.92 -4.85 105.19 102.19 2dn5 n GLY 25 Ca 0.06 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.38 0.00 -0.16 0.99 4.77 -0.31 -4.28 117.00 117.64 2dn5 n LEU 26 Ca -0.03 -0.64 0.08 0.00 -0.03 0.00 0.00 56.01 55.39 2dn5 n LEU 26 Cb 0.29 -0.10 0.11 0.00 -2.33 0.00 0.00 43.42 41.40 2dn5 n LEU 26 CO 0.04 -0.53 0.50 0.59 -1.33 0.00 0.00 177.39 176.67 2dn5 n ASN 27 N -2.74 1.86 -3.94 -1.43 3.02 -1.26 -4.38 115.26 106.39 2dn5 n ASN 27 Ca 0.04 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.65 2dn5 n ASN 27 Cb 0.15 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.25 0.44 0.12 3.52 1.70 -1.26 -5.07 118.95 116.15 2dn5 s ARG 28 Ca 0.25 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 2dn5 s ARG 28 Cb 0.22 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.70 2dn5 s ARG 28 CO 0.02 -0.09 1.14 -1.25 -1.08 0.00 0.00 175.30 174.04 2dn5 s PRO 29 N -1.83 4.51 -0.00 3.89 0.04 -1.26 -4.13 135.00 136.22 2dn5 s PRO 29 Ca -0.12 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.73 2dn5 s PRO 29 Cb -0.06 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.15 2dn5 s PRO 29 CO -0.02 -0.09 -0.21 0.08 0.04 0.00 0.00 177.00 176.81 2dn5 s VAL 30 N 0.39 1.67 0.52 -0.36 1.01 -0.44 -4.89 120.40 118.29 2dn5 s VAL 30 Ca 0.54 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.32 2dn5 s VAL 30 Cb -0.29 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 2dn5 s VAL 30 CO 0.32 0.41 1.36 -0.76 0.00 0.00 0.00 175.10 176.43 2dn5 s LEU 31 N -0.66 3.92 -0.26 3.92 1.43 -1.26 -4.19 118.68 121.57 2dn5 s LEU 31 Ca 0.08 2.76 -0.17 0.00 -1.03 0.00 0.00 54.13 55.77 2dn5 s LEU 31 Cb -0.08 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 2dn5 s LEU 31 CO -0.00 -1.44 0.46 -0.69 0.23 0.00 0.00 176.35 174.91 2dn5 s VAL 32 N -1.30 5.11 -1.20 -1.59 1.01 -1.26 -4.96 120.40 116.21 2dn5 s VAL 32 Ca 0.69 0.77 -0.10 0.00 0.00 0.00 0.00 61.98 63.34 2dn5 s VAL 32 Cb -0.40 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.13 2dn5 s VAL 32 CO 0.49 0.12 2.40 -0.81 0.00 0.00 0.00 175.10 177.29 2dn5 n PRO 33 N 5.41 2.66 -0.33 2.72 -0.04 -1.26 -4.67 135.00 139.49 2dn5 n PRO 33 Ca -0.06 -1.85 0.21 0.00 -0.04 0.00 0.00 63.50 61.76 2dn5 n PRO 33 Cb 0.50 -2.69 0.44 0.00 -0.04 0.00 0.00 33.50 31.71 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 5.99 0.88 -0.31 0.54 0.05 -1.98 0.30 116.97 122.45 2dn5 h TYR 34 Ca 0.63 0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.52 2dn5 h TYR 34 Cb 0.29 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 37.73 2dn5 h TYR 34 CO 1.82 -0.13 -0.25 1.57 -1.05 0.00 0.00 178.16 180.12 2dn5 h LYS 35 N 0.36 -0.21 0.32 4.88 2.10 -1.99 0.89 116.57 122.92 2dn5 h LYS 35 Ca 0.70 0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 59.35 2dn5 h LYS 35 Cb 1.53 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 2dn5 h LYS 35 CO -0.59 -0.14 -0.16 -0.07 -2.00 0.00 0.00 179.45 176.50 2dn5 h LEU 36 N -0.22 -0.37 -0.95 7.07 3.38 -0.85 -2.25 115.31 121.12 2dn5 h LEU 36 Ca 0.16 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.45 2dn5 h LEU 36 Cb 0.47 0.10 -0.18 0.00 0.09 0.00 0.00 40.66 41.14 2dn5 h LEU 36 CO -0.44 -0.24 0.20 -0.38 0.09 0.00 0.00 178.44 177.68 2dn5 n ILE 37 N -3.30 -0.40 -0.06 1.22 5.41 -0.50 0.21 119.36 121.94 2dn5 n ILE 37 Ca -0.05 2.04 -0.07 0.00 1.00 0.00 0.00 62.75 65.66 2dn5 n ILE 37 Cb 0.17 -3.09 -0.01 0.00 -0.71 0.00 0.00 39.64 36.00 2dn5 n ILE 37 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 2dn5 h ARG 38 N 0.00 -0.03 -0.01 0.38 9.65 0.10 -1.30 114.38 123.17 2dn5 h ARG 38 Ca 0.66 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 59.37 2dn5 h ARG 38 Cb 1.54 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.11 2dn5 h ARG 38 CO -0.84 -0.02 -0.79 0.22 2.80 0.00 0.00 179.97 181.35 2dn5 h ASP 39 N -0.04 0.12 -3.80 -3.80 1.82 0.26 -3.39 116.42 107.59 2dn5 h ASP 39 Ca 0.13 -0.09 -0.66 0.00 -0.39 0.00 0.00 57.03 56.02 2dn5 h ASP 39 Cb 0.23 -0.03 -0.40 0.00 0.68 0.00 0.00 39.33 39.81 2dn5 h ASP 39 CO -0.29 0.85 -0.70 -0.55 -1.61 0.00 0.00 179.24 176.95 2dn5 s SER 40 N -6.85 4.71 0.29 2.28 0.15 0.57 -4.93 113.70 109.93 2dn5 s SER 40 Ca -0.02 -2.30 0.26 0.00 0.70 0.00 0.00 55.95 54.59 2dn5 s SER 40 Cb 0.11 -1.64 0.90 0.00 -1.71 0.00 0.00 66.02 63.68 2dn5 s SER 40 CO 0.80 -0.36 1.76 1.55 1.20 0.00 0.00 173.24 178.19 2dn5 h PRO 41 N 7.44 0.00 -1.89 5.44 0.13 -1.64 -3.19 132.00 138.29 2dn5 h PRO 41 Ca -0.05 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.35 2dn5 h PRO 41 Cb 1.00 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.82 2dn5 h PRO 41 CO 0.55 0.00 0.65 -0.40 -0.23 0.00 0.00 178.00 178.58 2dn5 n ASP 42 N -2.43 6.88 0.02 1.44 5.75 -1.26 -4.44 116.55 122.52 2dn5 n ASP 42 Ca 0.03 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 2dn5 n ASP 42 Cb 0.35 -0.93 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dn5 n ALA 43 N -0.52 3.00 -2.88 2.12 0.00 -1.20 -4.32 120.51 116.71 2dn5 n ALA 43 Ca 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.82 2dn5 n ALA 43 Cb 0.33 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 20.02 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 0.16 -0.16 0.00 1.01 -1.26 -2.17 120.40 115.98 2dn5 s VAL 44 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 2dn5 s VAL 44 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 2dn5 s VAL 44 CO 0.00 -0.14 0.05 -0.70 0.00 0.00 0.00 175.10 174.31 2dn5 s GLU 45 N -0.54 3.73 -0.16 2.72 -6.30 0.30 -4.79 118.70 113.66 2dn5 s GLU 45 Ca -0.05 -0.35 0.02 0.00 -2.50 0.00 0.00 54.97 52.09 2dn5 s GLU 45 Cb -0.04 -3.11 0.01 0.00 0.00 0.00 0.00 34.13 31.00 2dn5 s GLU 45 CO -0.00 0.39 -0.20 0.08 0.02 0.00 0.00 175.26 175.55 2dn5 s VAL 46 N 0.02 2.15 0.27 3.70 1.01 -1.26 -0.04 120.40 126.25 2dn5 s VAL 46 Ca 0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2dn5 s VAL 46 Cb -0.12 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 2dn5 s VAL 46 CO 0.01 0.54 0.29 0.42 0.00 0.00 0.00 175.10 176.36 2dn5 s THR 47 N 1.01 0.00 0.00 3.92 -4.23 0.36 -4.87 115.64 111.82 2dn5 s THR 47 Ca -0.02 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2dn5 s THR 47 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2dn5 s THR 47 CO -0.06 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2dn5 n GLY 48 N -0.44 2.93 3.09 3.99 0.00 -1.26 0.19 105.19 113.70 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 -3.70 -4.77 0.99 4.77 -1.26 -3.71 117.00 109.31 2dn5 n LEU 49 Ca 0.00 0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 2dn5 n LEU 49 Cb 0.00 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.30 2dn5 n LEU 49 CO 0.00 -4.08 0.75 -2.16 -1.33 0.00 0.00 177.39 170.57 2dn5 s PRO 50 N -2.41 4.30 0.54 3.23 0.04 -1.26 -4.91 135.00 134.52 2dn5 s PRO 50 Ca 0.43 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.83 2dn5 s PRO 50 Cb -0.07 -2.72 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2dn5 s PRO 50 CO 0.73 -0.04 1.38 -0.40 0.04 0.00 0.00 177.00 178.71 2dn5 n ASP 51 N 0.28 2.83 -1.29 6.66 5.75 -1.26 -2.31 116.55 127.21 2dn5 n ASP 51 Ca 0.03 1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 55.71 2dn5 n ASP 51 Cb 0.48 -1.59 0.00 0.00 -1.03 0.00 0.00 41.12 38.99 2dn5 n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dn5 n ASP 52 N -0.92 -3.49 -3.60 -1.12 2.03 -1.26 -5.01 116.55 103.17 2dn5 n ASP 52 Ca 0.10 -0.05 -0.08 0.00 0.52 0.00 0.00 54.79 55.27 2dn5 n ASP 52 Cb 0.44 -2.64 -0.09 0.00 -0.72 0.00 0.00 41.12 38.11 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 -2.61 -0.65 0.00 5.18 1.01 -0.98 -5.10 121.20 118.05 2dn5 s ILE 53 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2dn5 s ILE 53 Cb -0.02 -0.70 0.00 0.00 0.01 0.00 0.00 42.46 41.75 2dn5 s ILE 53 CO 0.06 0.04 0.00 -0.81 0.00 0.00 0.00 174.94 174.23 2dn5 n PRO 54 N 5.39 0.64 -3.82 2.79 -0.04 -1.26 -4.60 135.00 134.10 2dn5 n PRO 54 Ca -0.08 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 2dn5 n PRO 54 Cb 0.50 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 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 2.23 0.32 0.54 5.36 -1.26 -4.95 117.98 119.98 2dn5 s PHE 55 Ca 0.00 -2.01 0.02 0.00 -0.96 0.00 0.00 56.93 53.98 2dn5 s PHE 55 Cb 0.00 -1.97 -0.02 0.00 -0.34 0.00 0.00 43.02 40.69 2dn5 s PHE 55 CO 0.00 -0.88 0.35 1.03 -1.46 0.00 0.00 175.22 174.26 2dn5 s ARG 56 N 1.44 1.75 0.02 10.12 1.81 -1.26 -5.08 118.95 127.75 2dn5 s ARG 56 Ca 0.08 -1.84 -0.38 0.00 -1.72 0.00 0.00 55.73 51.87 2dn5 s ARG 56 Cb -0.18 0.37 -0.19 0.00 -0.45 0.00 0.00 34.95 34.50 2dn5 s ARG 56 CO -0.19 -0.68 1.00 -1.71 -0.68 0.00 0.00 175.30 173.04 2dn5 n ASN 57 N -1.30 -0.13 0.09 0.23 5.15 -1.26 -4.79 115.26 113.25 2dn5 n ASN 57 Ca 0.04 1.14 0.12 0.00 -0.60 0.00 0.00 54.58 55.28 2dn5 n ASN 57 Cb 0.62 -0.91 0.45 0.00 -0.53 0.00 0.00 39.78 39.42 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 1.43 0.18 -2.56 1.20 -0.04 -1.26 -4.09 135.00 129.86 2dn5 n PRO 58 Ca 0.20 0.28 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 2dn5 n PRO 58 Cb 0.10 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.08 5.30 0.00 3.54 2.85 -1.26 -3.67 115.26 119.94 2dn5 n ASN 59 Ca 0.04 -3.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.38 2dn5 n ASN 59 Cb 0.31 -1.46 0.00 0.00 1.24 0.00 0.00 39.78 39.87 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 3.26 0.00 -0.77 -0.44 5.66 -1.26 -5.15 114.28 115.58 2dn5 n THR 60 Ca 0.37 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 61.04 2dn5 n THR 60 Cb 0.37 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.28 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 -1.41 -4.02 1.09 4.01 -1.24 -5.01 117.16 110.58 2dn5 n TYR 61 Ca 0.00 0.31 -0.23 0.00 -0.16 0.00 0.00 57.90 57.82 2dn5 n TYR 61 Cb 0.00 -1.49 -0.06 0.00 -0.31 0.00 0.00 39.34 37.48 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 -1.57 4.73 0.40 7.72 1.11 -1.26 -4.85 116.67 122.95 2dn5 s ASP 62 Ca 0.48 -0.80 0.25 0.00 0.18 0.00 0.00 52.55 52.67 2dn5 s ASP 62 Cb -0.04 -0.69 1.40 0.00 1.07 0.00 0.00 42.92 44.66 2dn5 s ASP 62 CO 0.64 -0.39 1.58 -0.29 1.18 0.00 0.00 175.17 177.89 2dn5 h ILE 63 N 1.44 0.02 0.00 0.77 2.10 -1.97 0.40 117.51 120.26 2dn5 h ILE 63 Ca -0.43 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.50 2dn5 h ILE 63 Cb 1.25 -0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2dn5 h ILE 63 CO 0.63 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 179.12 2dn5 n HIS 64 N -5.04 0.00 -0.25 2.19 8.25 -1.26 0.71 115.22 119.83 2dn5 n HIS 64 Ca 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.81 2dn5 n HIS 64 Cb 1.39 -0.35 0.03 0.00 1.12 0.00 0.00 29.99 32.18 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 -0.10 -0.24 -0.41 -0.00 -1.42 1.62 114.38 113.82 2dn5 h ARG 65 Ca 0.00 0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 2dn5 h ARG 65 Cb 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 29.97 29.93 2dn5 h ARG 65 CO 0.00 -0.07 -0.15 -0.07 0.00 0.00 0.00 179.97 179.68 2dn5 h LEU 66 N -0.11 -0.49 0.51 3.04 3.38 -0.33 1.06 115.31 122.36 2dn5 h LEU 66 Ca 0.27 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 2dn5 h LEU 66 Cb 0.56 0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2dn5 h LEU 66 CO -0.76 -0.19 -0.25 -0.33 0.09 0.00 0.00 178.44 177.01 2dn5 h GLU 67 N -0.14 -0.66 0.24 1.13 4.39 0.34 0.51 114.58 120.39 2dn5 h GLU 67 Ca 0.13 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 2dn5 h GLU 67 Cb 0.33 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2dn5 h GLU 67 CO -0.32 -0.43 -0.45 0.87 -1.16 0.00 0.00 179.01 177.52 2dn5 h LYS 68 N -0.71 -0.71 -0.57 2.33 1.79 0.26 0.46 116.57 119.43 2dn5 h LYS 68 Ca -0.07 0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.51 2dn5 h LYS 68 Cb 0.54 0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 31.26 2dn5 h LYS 68 CO 0.12 -0.47 -0.54 0.82 -1.08 0.00 0.00 179.45 178.29 2dn5 h ILE 69 N -0.74 0.00 -1.21 1.86 2.04 0.12 1.44 117.51 121.02 2dn5 h ILE 69 Ca -0.03 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.18 2dn5 h ILE 69 Cb 0.69 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.69 2dn5 h ILE 69 CO -0.17 0.00 0.82 -0.07 0.00 0.00 0.00 178.15 178.74 2dn5 h LEU 70 N -0.26 0.22 -0.25 1.44 3.38 -0.53 1.80 115.31 121.11 2dn5 h LEU 70 Ca 0.09 0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2dn5 h LEU 70 Cb 0.51 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dn5 h LEU 70 CO -0.67 -0.01 -0.65 0.11 0.09 0.00 0.00 178.44 177.31 2dn5 h LYS 71 N 0.17 0.82 -0.64 1.13 1.57 0.40 -2.79 116.57 117.22 2dn5 h LYS 71 Ca 0.65 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dn5 h LYS 71 Cb 2.15 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.55 2dn5 h LYS 71 CO -0.20 1.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.88 2dn5 n ALA 72 N -2.58 3.10 -0.28 3.86 0.00 0.50 -4.33 120.51 120.79 2dn5 n ALA 72 Ca -0.06 -1.20 0.12 0.00 0.00 0.00 0.00 53.44 52.30 2dn5 n ALA 72 Cb 0.68 -1.04 0.37 0.00 0.00 0.00 0.00 19.45 19.46 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 2.93 0.68 -0.11 0.00 0.11 0.20 1.19 114.38 119.38 2dn5 h ARG 73 Ca 0.00 -0.04 -0.22 0.00 0.10 0.00 0.00 59.98 59.82 2dn5 h ARG 73 Cb 1.25 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 32.19 2dn5 h ARG 73 CO 0.23 0.45 -0.78 0.93 0.10 0.00 0.00 179.97 180.89 2dn5 h GLU 74 N 0.70 0.72 -0.30 0.08 4.39 -1.81 -3.25 114.58 115.11 2dn5 h GLU 74 Ca 0.46 -0.63 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 2dn5 h GLU 74 Cb 0.74 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2dn5 h GLU 74 CO -0.22 1.24 -0.06 0.45 -1.16 0.00 0.00 179.01 179.26 2dn5 h HIS 75 N 0.42 0.65 -1.34 4.33 3.86 -1.33 -3.44 115.15 118.31 2dn5 h HIS 75 Ca -0.07 -0.13 -0.75 0.00 -1.16 0.00 0.00 60.37 58.26 2dn5 h HIS 75 Cb 1.42 -0.16 0.04 0.00 1.06 0.00 0.00 27.41 29.78 2dn5 h HIS 75 CO 0.10 0.76 0.42 0.28 0.86 0.00 0.00 177.93 180.34 2dn5 n VAL 76 N -4.49 0.05 -3.77 2.45 0.31 0.39 -4.08 118.33 109.19 2dn5 n VAL 76 Ca -0.03 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2dn5 n VAL 76 Cb 0.31 -0.56 -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 1.12 0.21 -0.00 5.55 6.06 0.51 -4.89 118.95 127.50 2dn5 s ARG 77 Ca 0.92 0.37 0.02 0.00 -2.50 0.00 0.00 55.73 54.54 2dn5 s ARG 77 Cb -1.15 -0.00 -0.04 0.00 0.06 0.00 0.00 34.95 33.82 2dn5 s ARG 77 CO 0.58 -0.09 -0.02 -1.64 -2.50 0.00 0.00 175.30 171.63 2dn5 s MET 78 N 0.63 2.73 -0.09 5.12 -1.94 -1.26 -0.49 119.30 124.00 2dn5 s MET 78 Ca -0.04 -0.63 -0.02 0.00 -1.71 0.00 0.00 55.69 53.29 2dn5 s MET 78 Cb -0.06 -2.63 0.03 0.00 2.01 0.00 0.00 34.83 34.19 2dn5 s MET 78 CO -0.03 0.62 0.01 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -1.05 0.37 -0.86 -6.03 1.01 0.94 -4.61 120.40 110.18 2dn5 s VAL 79 Ca 0.18 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 2dn5 s VAL 79 Cb -0.11 -0.58 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2dn5 s VAL 79 CO 0.09 0.19 2.06 -0.63 0.00 0.00 0.00 175.10 176.81 2dn5 s ILE 80 N 1.97 3.34 0.09 2.22 -1.09 -1.26 0.11 121.20 126.58 2dn5 s ILE 80 Ca 0.04 -0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 57.95 2dn5 s ILE 80 Cb -0.13 -3.76 -0.09 0.00 -1.58 0.00 0.00 42.46 36.90 2dn5 s ILE 80 CO -0.06 -0.72 1.42 0.40 -1.23 0.00 0.00 174.94 174.75 2dn5 h ILE 81 N 7.35 0.00 -1.17 2.92 1.08 -1.75 -3.42 117.51 122.53 2dn5 h ILE 81 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2dn5 h ILE 81 Cb 1.01 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 2dn5 h ILE 81 CO 1.16 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 175.42 2dn5 n ASN 82 N -4.73 0.00 0.00 1.72 4.05 -0.98 -4.65 115.26 110.66 2dn5 n ASN 82 Ca -0.04 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2dn5 n ASN 82 Cb 0.27 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.28 2dn5 n ASN 82 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2dn5 n GLN 83 N 0.00 0.00 -1.13 1.20 -0.06 -1.26 -4.86 117.38 111.27 2dn5 n GLN 83 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.02 2dn5 n GLN 83 Cb 0.00 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.17 2dn5 n GLN 83 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2dn5 n SER 84 N 3.04 -6.08 -0.39 1.69 2.88 -1.26 -5.07 113.62 108.42 2dn5 n SER 84 Ca 0.00 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 2dn5 n SER 84 Cb 0.00 -3.45 0.00 0.00 -0.75 0.00 0.00 64.21 60.01 2dn5 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn5 n GLY 85 N -2.53 -1.36 0.08 0.46 0.00 -1.26 -4.99 105.19 95.59 2dn5 n GLY 85 Ca -0.01 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2dn5 n GLY 85 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn5 h PRO 86 N 0.00 0.11 -2.97 1.61 0.13 -1.95 -3.48 132.00 125.44 2dn5 h PRO 86 Ca 0.00 -0.10 0.28 0.00 -0.87 0.00 0.00 66.00 65.31 2dn5 h PRO 86 Cb 0.00 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 31.00 2dn5 h PRO 86 CO 0.00 0.83 -1.07 0.45 -0.23 0.00 0.00 178.00 177.97 2dn5 n SER 87 N -4.61 -6.63 0.00 1.44 2.88 -1.26 -4.30 113.62 101.14 2dn5 n SER 87 Ca -0.09 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2dn5 n SER 87 Cb 0.43 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.70 2dn5 n SER 87 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn5 n SER 88 N -3.91 0.00 0.00 -3.46 7.64 -1.26 -4.82 113.62 107.81 2dn5 n SER 88 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dn5 n SER 88 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64