#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 -7.59 -2.52 1.61 7.64 -1.26 -4.63 113.62 106.87 2dn5 n SER 2 Ca 0.00 1.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.89 2dn5 n SER 2 Cb 0.00 -4.29 -0.03 0.00 -1.01 0.00 0.00 64.21 58.89 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 0.73 -3.04 0.00 6.43 7.64 -1.26 -4.85 113.62 119.27 2dn5 n SER 3 Ca 0.01 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2dn5 n SER 3 Cb 0.19 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.52 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 1.20 1.20 3.75 0.23 0.00 -1.26 -5.11 105.19 105.19 2dn5 n GLY 4 Ca -0.24 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.27 4.56 -0.38 1.61 0.01 -1.26 -4.84 113.70 112.14 2dn5 s SER 5 Ca 0.00 -0.94 0.05 0.00 1.31 0.00 0.00 55.95 56.37 2dn5 s SER 5 Cb 0.00 -0.56 0.18 0.00 0.21 0.00 0.00 66.02 65.85 2dn5 s SER 5 CO 0.00 -0.47 0.68 -0.44 0.41 0.00 0.00 173.24 173.42 2dn5 s SER 6 N -3.91 -1.38 -0.26 2.44 0.01 -1.26 -3.26 113.70 106.08 2dn5 s SER 6 Ca 0.41 -0.51 -0.14 0.00 1.31 0.00 0.00 55.95 57.01 2dn5 s SER 6 Cb 0.01 1.78 -0.11 0.00 0.21 0.00 0.00 66.02 67.91 2dn5 s SER 6 CO 0.23 -0.17 -0.34 0.61 0.41 0.00 0.00 173.24 173.97 2dn5 n GLY 7 N 4.53 -0.44 0.38 3.44 0.00 -1.26 -4.34 105.19 107.50 2dn5 n GLY 7 Ca 0.09 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2dn5 n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dn5 n LEU 8 N -4.22 -0.56 -0.05 0.99 4.77 -1.26 -0.16 117.00 116.51 2dn5 n LEU 8 Ca -0.48 1.73 -0.06 0.00 -0.03 0.00 0.00 56.01 57.18 2dn5 n LEU 8 Cb 0.83 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2dn5 n LEU 8 CO 0.05 -1.59 0.50 -0.09 -1.33 0.00 0.00 177.39 174.93 2dn5 h ARG 9 N 0.00 -0.17 -0.57 3.23 2.43 -1.90 0.43 114.38 117.84 2dn5 h ARG 9 Ca 0.39 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.68 2dn5 h ARG 9 Cb 0.64 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 30.12 2dn5 h ARG 9 CO -1.00 -0.11 -0.14 0.93 -1.51 0.00 0.00 179.97 178.14 2dn5 h GLU 10 N -0.18 0.00 -0.70 0.20 5.08 -1.12 0.41 114.58 118.27 2dn5 h GLU 10 Ca 0.03 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2dn5 h GLU 10 Cb 0.25 -0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 2dn5 h GLU 10 CO -0.23 0.00 -0.20 1.96 -1.00 0.00 0.00 179.01 179.54 2dn5 h GLN 11 N 0.00 -0.02 -0.41 2.33 4.20 0.59 0.52 115.11 122.33 2dn5 h GLN 11 Ca 0.27 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.85 2dn5 h GLN 11 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2dn5 h GLN 11 CO -0.58 -0.01 -0.27 0.28 -0.67 0.00 0.00 178.83 177.58 2dn5 h VAL 12 N -0.02 1.27 0.08 -0.54 2.07 0.11 -1.93 116.25 117.29 2dn5 h VAL 12 Ca 0.33 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.46 2dn5 h VAL 12 Cb 0.53 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2dn5 h VAL 12 CO -0.73 0.48 -0.41 0.11 0.02 0.00 0.00 177.57 177.03 2dn5 h LYS 13 N 0.73 -0.59 -0.48 1.57 1.57 0.40 0.10 116.57 119.88 2dn5 h LYS 13 Ca 0.09 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2dn5 h LYS 13 Cb 0.82 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2dn5 h LYS 13 CO 0.07 -0.40 0.32 0.93 -0.57 0.00 0.00 179.45 179.80 2dn5 h GLU 14 N -0.62 0.57 0.00 3.15 5.08 -0.40 -0.70 114.58 121.66 2dn5 h GLU 14 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dn5 h GLU 14 Cb 0.66 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dn5 h GLU 14 CO -0.26 0.38 0.00 -0.11 -1.00 0.00 0.00 179.01 178.01 2dn5 n LEU 15 N -4.47 0.00 -0.34 1.33 7.94 -0.16 0.19 117.00 121.49 2dn5 n LEU 15 Ca 0.05 0.94 0.18 0.00 -1.11 0.00 0.00 56.01 56.07 2dn5 n LEU 15 Cb 0.10 -0.44 0.39 0.00 0.53 0.00 0.00 43.42 44.01 2dn5 n LEU 15 CO 0.35 -0.44 1.16 -0.26 -1.11 0.00 0.00 177.39 177.09 2dn5 h PHE 16 N 0.00 1.01 -0.46 1.96 0.04 -0.79 0.52 116.94 119.22 2dn5 h PHE 16 Ca 0.00 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 2dn5 h PHE 16 Cb 0.00 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 2dn5 h PHE 16 CO 0.11 0.04 -0.06 -0.91 -0.60 0.00 0.00 178.31 176.90 2dn5 h ASN 17 N 0.56 0.84 -0.29 2.17 4.21 -0.93 -1.83 115.58 120.30 2dn5 h ASN 17 Ca 0.65 -0.34 0.01 0.00 1.21 0.00 0.00 56.30 57.84 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 -0.49 0.98 0.18 -0.33 -1.29 0.00 0.00 177.43 176.48 2dn5 h GLU 18 N 0.68 0.36 0.16 0.81 4.39 0.69 -0.80 114.58 120.87 2dn5 h GLU 18 Ca 0.12 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2dn5 h GLU 18 Cb 0.58 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2dn5 h GLU 18 CO 0.03 0.24 -0.22 0.87 -1.16 0.00 0.00 179.01 178.77 2dn5 h LYS 19 N 0.37 -0.43 -0.69 2.33 1.79 -0.69 -2.01 116.57 117.24 2dn5 h LYS 19 Ca 0.11 0.03 0.14 0.00 -2.18 0.00 0.00 60.65 58.75 2dn5 h LYS 19 Cb -0.02 0.10 -0.13 0.00 -1.58 0.00 0.00 32.23 30.60 2dn5 h LYS 19 CO -0.04 -0.28 -0.17 -0.92 -1.08 0.00 0.00 179.45 176.95 2dn5 h TYR 20 N -0.44 -0.36 0.10 -1.35 3.20 -1.05 0.55 116.97 117.61 2dn5 h TYR 20 Ca 0.02 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.97 2dn5 h TYR 20 Cb 0.44 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 2dn5 h TYR 20 CO -0.19 -0.30 -0.37 0.78 -1.64 0.00 0.00 178.16 176.45 2dn5 h GLY 21 N 0.00 -0.70 0.79 1.82 0.00 -0.82 0.87 103.07 105.03 2dn5 h GLY 21 Ca 0.33 0.44 0.03 0.00 0.00 0.00 0.00 47.33 48.13 2dn5 h GLY 21 CO -0.71 -0.26 0.18 0.83 0.00 0.00 0.00 176.54 176.58 2dn5 h GLU 22 N -0.58 0.35 -0.74 4.80 5.08 -0.48 0.37 114.58 123.37 2dn5 h GLU 22 Ca 0.03 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2dn5 h GLU 22 Cb 0.62 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2dn5 h GLU 22 CO -0.23 0.23 0.49 0.00 -1.00 0.00 0.00 179.01 178.51 2dn5 h ALA 23 N 1.20 1.52 0.00 3.43 0.00 0.58 0.46 119.26 126.46 2dn5 h ALA 23 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2dn5 h ALA 23 Cb 0.08 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2dn5 h ALA 23 CO -0.12 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.83 2dn5 n LEU 24 N -4.44 0.00 -0.25 0.00 4.77 0.30 -4.62 117.00 112.76 2dn5 n LEU 24 Ca 0.09 0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 2dn5 n LEU 24 Cb 0.08 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2dn5 n LEU 24 CO 0.35 -0.20 -0.03 0.61 -1.33 0.00 0.00 177.39 176.80 2dn5 n GLY 25 N 0.04 0.40 0.83 -0.72 0.00 0.16 -5.04 105.19 100.86 2dn5 n GLY 25 Ca 0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.33 0.00 -0.29 0.99 4.77 -0.01 -5.00 117.00 117.13 2dn5 n LEU 26 Ca -0.03 -0.57 0.07 0.00 -0.03 0.00 0.00 56.01 55.46 2dn5 n LEU 26 Cb 0.33 -0.06 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 2dn5 n LEU 26 CO 0.04 -0.47 0.45 0.59 -1.33 0.00 0.00 177.39 176.67 2dn5 n ASN 27 N -2.54 1.64 -3.96 -1.43 4.13 -1.26 -4.33 115.26 107.52 2dn5 n ASN 27 Ca 0.02 -2.86 -0.09 0.00 1.68 0.00 0.00 54.58 53.33 2dn5 n ASN 27 Cb 0.13 -0.38 -0.10 0.00 -1.54 0.00 0.00 39.78 37.89 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dn5 s ARG 28 N -2.08 0.42 0.09 3.52 1.70 -1.26 -5.06 118.95 116.28 2dn5 s ARG 28 Ca 0.25 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.57 2dn5 s ARG 28 Cb 0.22 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.70 2dn5 s ARG 28 CO 0.00 -0.09 1.15 -1.25 -1.08 0.00 0.00 175.30 174.04 2dn5 s PRO 29 N -1.83 4.49 0.03 3.89 0.04 -1.26 -4.08 135.00 136.28 2dn5 s PRO 29 Ca -0.12 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.71 2dn5 s PRO 29 Cb -0.07 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2dn5 s PRO 29 CO -0.02 -0.14 -0.20 0.08 0.04 0.00 0.00 177.00 176.76 2dn5 s VAL 30 N 0.67 1.58 0.78 -0.36 1.01 -0.39 -4.89 120.40 118.81 2dn5 s VAL 30 Ca 0.55 -1.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2dn5 s VAL 30 Cb -0.29 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.79 2dn5 s VAL 30 CO 0.31 0.22 1.22 -0.76 0.00 0.00 0.00 175.10 176.09 2dn5 s LEU 31 N -1.05 3.22 -0.28 3.92 1.43 -1.26 -4.12 118.68 120.54 2dn5 s LEU 31 Ca 0.07 2.40 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 2dn5 s LEU 31 Cb -0.08 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 2dn5 s LEU 31 CO 0.01 -2.53 0.16 -0.69 0.23 0.00 0.00 176.35 173.53 2dn5 s VAL 32 N -2.03 5.06 -1.21 -1.59 1.01 -1.26 -4.96 120.40 115.43 2dn5 s VAL 32 Ca 0.75 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 2dn5 s VAL 32 Cb -0.30 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2dn5 s VAL 32 CO 0.48 0.25 2.42 -0.81 0.00 0.00 0.00 175.10 177.45 2dn5 n PRO 33 N 5.03 2.69 -0.29 2.72 -0.04 -1.26 -4.68 135.00 139.17 2dn5 n PRO 33 Ca -0.14 -1.85 0.10 0.00 -0.04 0.00 0.00 63.50 61.57 2dn5 n PRO 33 Cb 0.52 -2.68 0.23 0.00 -0.04 0.00 0.00 33.50 31.52 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 5.94 0.06 -0.76 0.54 0.05 -1.97 0.39 116.97 121.21 2dn5 h TYR 34 Ca 0.64 0.06 0.15 0.00 0.05 0.00 0.00 58.73 59.63 2dn5 h TYR 34 Cb 0.28 0.11 -0.14 0.00 1.01 0.00 0.00 36.73 37.99 2dn5 h TYR 34 CO 1.84 -0.28 -0.17 -0.22 -1.05 0.00 0.00 178.16 178.27 2dn5 h LYS 35 N 0.11 0.01 0.31 4.88 3.64 -1.99 1.52 116.57 125.04 2dn5 h LYS 35 Ca 0.50 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.86 2dn5 h LYS 35 Cb 0.96 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2dn5 h LYS 35 CO -0.73 0.00 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.23 2dn5 h LEU 36 N 0.01 -0.35 -1.90 5.20 3.38 -0.66 -2.30 115.31 118.68 2dn5 h LEU 36 Ca 0.37 0.01 0.48 0.00 0.09 0.00 0.00 57.88 58.83 2dn5 h LEU 36 Cb 0.57 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 2dn5 h LEU 36 CO -0.77 -0.20 1.15 0.40 0.09 0.00 0.00 178.44 179.11 2dn5 h ILE 37 N -0.52 0.16 0.68 1.22 2.04 -0.55 1.37 117.51 121.90 2dn5 h ILE 37 Ca -0.04 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 2dn5 h ILE 37 Cb 0.32 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2dn5 h ILE 37 CO 0.07 0.00 -0.33 -0.09 0.00 0.00 0.00 178.15 177.81 2dn5 h ARG 38 N 0.02 -0.88 -0.27 2.37 9.65 0.24 -3.00 114.38 122.51 2dn5 h ARG 38 Ca 0.80 0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 59.58 2dn5 h ARG 38 Cb 3.10 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 31.87 2dn5 h ARG 38 CO -0.07 -0.55 -0.47 0.22 2.80 0.00 0.00 179.97 181.90 2dn5 h ASP 39 N -1.07 0.77 -3.44 -3.80 1.82 0.55 -3.38 116.42 107.87 2dn5 h ASP 39 Ca -0.09 -0.38 -0.71 0.00 -0.39 0.00 0.00 57.03 55.46 2dn5 h ASP 39 Cb 0.73 -0.22 -0.32 0.00 0.68 0.00 0.00 39.33 40.20 2dn5 h ASP 39 CO 0.15 1.12 -0.47 -0.55 -1.61 0.00 0.00 179.24 177.88 2dn5 s SER 40 N -6.89 5.46 0.36 2.28 0.15 0.42 -4.91 113.70 110.57 2dn5 s SER 40 Ca -0.09 -2.03 0.27 0.00 0.70 0.00 0.00 55.95 54.79 2dn5 s SER 40 Cb 0.11 -1.91 0.89 0.00 -1.71 0.00 0.00 66.02 63.40 2dn5 s SER 40 CO 0.86 -0.60 1.78 1.55 1.20 0.00 0.00 173.24 178.02 2dn5 h PRO 41 N 8.16 0.00 -1.36 5.44 0.13 -1.72 -3.12 132.00 139.53 2dn5 h PRO 41 Ca -0.15 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.28 2dn5 h PRO 41 Cb 1.05 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.88 2dn5 h PRO 41 CO 0.77 0.00 0.70 -0.25 -0.23 0.00 0.00 178.00 178.99 2dn5 n ASP 42 N -2.66 7.23 -0.05 1.44 8.00 -1.26 -4.43 116.55 124.82 2dn5 n ASP 42 Ca 0.03 -3.80 -0.11 0.00 0.71 0.00 0.00 54.79 51.62 2dn5 n ASP 42 Cb 0.37 -0.92 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 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 -0.74 1.97 -2.92 2.24 0.00 -1.18 -3.84 120.51 116.03 2dn5 n ALA 43 Ca 0.57 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 2dn5 n ALA 43 Cb 0.54 0.23 -0.13 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 -2.37 0.01 -0.18 0.00 1.01 -1.26 -1.43 120.40 116.18 2dn5 s VAL 44 Ca -0.18 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2dn5 s VAL 44 Cb 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.30 2dn5 s VAL 44 CO 0.24 -0.05 0.14 -0.70 0.00 0.00 0.00 175.10 174.73 2dn5 s GLU 45 N -0.15 3.97 -0.10 2.72 -6.30 0.55 -4.82 118.70 114.56 2dn5 s GLU 45 Ca -0.02 -0.19 0.04 0.00 -2.50 0.00 0.00 54.97 52.30 2dn5 s GLU 45 Cb -0.01 -3.35 0.00 0.00 0.00 0.00 0.00 34.13 30.77 2dn5 s GLU 45 CO -0.00 0.44 -0.24 0.08 0.02 0.00 0.00 175.26 175.57 2dn5 s VAL 46 N -0.06 2.08 0.29 3.70 1.01 -1.26 0.65 120.40 126.82 2dn5 s VAL 46 Ca 0.10 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 2dn5 s VAL 46 Cb -0.11 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2dn5 s VAL 46 CO -0.00 0.56 0.38 0.42 0.00 0.00 0.00 175.10 176.46 2dn5 s THR 47 N 0.37 0.00 0.00 3.92 -4.23 0.99 -4.89 115.64 111.79 2dn5 s THR 47 Ca -0.18 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 2dn5 s THR 47 Cb -0.18 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2dn5 s THR 47 CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2dn5 n GLY 48 N -0.47 2.81 3.15 3.99 0.00 -1.26 0.15 105.19 113.57 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 -3.44 -4.77 0.99 4.77 -1.26 -4.08 117.00 109.20 2dn5 n LEU 49 Ca 0.00 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.76 2dn5 n LEU 49 Cb 0.00 -0.87 -0.04 0.00 -2.33 0.00 0.00 43.42 40.18 2dn5 n LEU 49 CO 0.00 -4.44 0.75 -2.16 -1.33 0.00 0.00 177.39 170.21 2dn5 s PRO 50 N -2.64 4.31 0.63 3.23 0.04 -1.26 -4.97 135.00 134.34 2dn5 s PRO 50 Ca 0.46 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 2dn5 s PRO 50 Cb -0.14 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 2dn5 s PRO 50 CO 0.74 -0.03 1.32 -0.51 0.04 0.00 0.00 177.00 178.55 2dn5 s ASP 51 N -1.35 4.72 -0.83 6.66 1.01 -1.26 -2.49 116.67 123.12 2dn5 s ASP 51 Ca 0.54 2.68 0.00 0.00 0.71 0.00 0.00 52.55 56.47 2dn5 s ASP 51 Cb -0.25 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.05 2dn5 s ASP 51 CO 0.32 -1.93 0.00 -0.67 0.21 0.00 0.00 175.17 173.09 2dn5 n ASP 52 N -1.72 -3.28 -3.57 0.27 -0.08 -1.26 -5.00 116.55 101.90 2dn5 n ASP 52 Ca 0.15 -0.01 -0.06 0.00 -1.51 0.00 0.00 54.79 53.37 2dn5 n ASP 52 Cb 0.47 -2.54 -0.07 0.00 2.34 0.00 0.00 41.12 41.32 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 -2.48 -0.77 0.00 5.18 1.01 -1.04 -5.10 121.20 118.00 2dn5 s ILE 53 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2dn5 s ILE 53 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2dn5 s ILE 53 CO 0.00 0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.15 2dn5 n PRO 54 N 5.41 0.63 -3.83 2.79 -0.04 -1.26 -4.61 135.00 134.09 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 -0.14 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 -0.25 2.47 0.30 0.54 5.36 -1.26 -4.95 117.98 120.19 2dn5 s PHE 55 Ca 0.00 -2.39 0.04 0.00 -0.96 0.00 0.00 56.93 53.61 2dn5 s PHE 55 Cb 0.00 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2dn5 s PHE 55 CO 0.00 -0.86 0.27 1.03 -1.46 0.00 0.00 175.22 174.20 2dn5 s ARG 56 N 0.91 1.65 0.07 10.12 0.52 -1.26 -5.07 118.95 125.88 2dn5 s ARG 56 Ca 0.13 -1.89 -0.34 0.00 -0.52 0.00 0.00 55.73 53.11 2dn5 s ARG 56 Cb -0.20 0.33 -0.18 0.00 0.52 0.00 0.00 34.95 35.41 2dn5 s ARG 56 CO -0.12 -0.61 0.84 -1.71 0.02 0.00 0.00 175.30 173.72 2dn5 n ASN 57 N -1.23 -0.43 0.00 0.23 4.05 -1.26 -4.78 115.26 111.85 2dn5 n ASN 57 Ca 0.05 1.10 0.11 0.00 0.45 0.00 0.00 54.58 56.29 2dn5 n ASN 57 Cb 0.63 -0.89 0.50 0.00 1.23 0.00 0.00 39.78 41.25 2dn5 n ASN 57 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2dn5 n PRO 58 N 1.26 0.11 -2.54 1.20 -0.04 -1.26 -4.04 135.00 129.70 2dn5 n PRO 58 Ca 0.18 0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 63.33 2dn5 n PRO 58 Cb 0.13 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.42 5.86 0.00 3.54 5.15 -1.26 -3.82 115.26 123.30 2dn5 n ASN 59 Ca 0.07 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.81 2dn5 n ASN 59 Cb 0.23 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 2dn5 n THR 60 N 2.38 0.00 -0.64 -0.44 5.66 -1.26 -5.15 114.28 114.83 2dn5 n THR 60 Ca 0.37 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 61.13 2dn5 n THR 60 Cb 0.34 0.00 0.13 0.00 -1.55 0.00 0.00 70.33 69.25 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 -1.89 -4.23 1.09 4.01 -1.25 -5.02 117.16 109.87 2dn5 n TYR 61 Ca 0.00 0.15 -0.25 0.00 -0.16 0.00 0.00 57.90 57.64 2dn5 n TYR 61 Cb 0.00 -1.44 -0.08 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 -1.77 4.32 0.00 7.72 1.01 -1.26 -4.87 116.67 121.82 2dn5 s ASP 62 Ca 0.40 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.60 2dn5 s ASP 62 Cb -0.05 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.37 2dn5 s ASP 62 CO 0.46 -0.44 0.93 -0.38 0.21 0.00 0.00 175.17 175.95 2dn5 n ILE 63 N -1.13 0.00 0.00 0.77 -0.00 -1.26 0.18 119.36 117.92 2dn5 n ILE 63 Ca -0.02 1.40 0.00 0.00 -0.00 0.00 0.00 62.75 64.13 2dn5 n ILE 63 Cb 0.64 -1.87 0.00 0.00 -0.00 0.00 0.00 39.64 38.41 2dn5 n ILE 63 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2dn5 n HIS 64 N -2.90 0.00 -0.32 1.39 8.25 -1.26 0.12 115.22 120.51 2dn5 n HIS 64 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2dn5 n HIS 64 Cb 0.00 -0.36 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 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 -0.12 -0.86 -0.41 3.08 -1.76 1.58 114.38 115.89 2dn5 h ARG 65 Ca 0.00 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.28 2dn5 h ARG 65 Cb 0.00 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 -0.08 0.25 -0.07 -1.07 0.00 0.00 179.97 179.00 2dn5 h LEU 66 N -0.13 0.06 -0.01 3.04 3.38 0.36 0.52 115.31 122.54 2dn5 h LEU 66 Ca 0.17 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 2dn5 h LEU 66 Cb 0.50 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2dn5 h LEU 66 CO -0.83 -0.10 -0.01 -0.33 0.09 0.00 0.00 178.44 177.26 2dn5 h GLU 67 N 0.26 0.02 -0.44 1.13 4.39 0.76 -2.13 114.58 118.56 2dn5 h GLU 67 Ca 0.53 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.31 2dn5 h GLU 67 Cb 1.03 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.58 2dn5 h GLU 67 CO -0.60 0.49 -0.21 0.87 -1.16 0.00 0.00 179.01 178.39 2dn5 h LYS 68 N -0.45 -0.12 -0.21 2.33 1.79 0.42 1.16 116.57 121.50 2dn5 h LYS 68 Ca 0.00 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2dn5 h LYS 68 Cb 0.48 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 2dn5 h LYS 68 CO 0.00 -0.08 -0.10 0.82 -1.08 0.00 0.00 179.45 179.01 2dn5 h ILE 69 N -0.12 0.67 -0.77 1.86 2.04 -0.10 0.40 117.51 121.49 2dn5 h ILE 69 Ca 0.21 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.11 2dn5 h ILE 69 Cb 0.45 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 2dn5 h ILE 69 CO -0.52 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 178.04 2dn5 h LEU 70 N -0.08 0.78 -2.04 1.44 3.38 -0.32 0.32 115.31 118.78 2dn5 h LEU 70 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dn5 h LEU 70 Cb 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dn5 h LEU 70 CO -0.26 0.53 -0.05 0.11 0.09 0.00 0.00 178.44 178.86 2dn5 h LYS 71 N 0.92 0.00 -0.36 1.13 6.56 0.27 -0.82 116.57 124.27 2dn5 h LYS 71 Ca 0.32 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.76 2dn5 h LYS 71 Cb 0.06 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.63 2dn5 h LYS 71 CO -0.13 0.05 -0.01 0.00 -2.06 0.00 0.00 179.45 177.30 2dn5 n ALA 72 N -2.16 3.98 -0.01 3.86 0.00 0.13 -4.60 120.51 121.71 2dn5 n ALA 72 Ca -0.01 -2.88 -0.03 0.00 0.00 0.00 0.00 53.44 50.52 2dn5 n ALA 72 Cb 0.22 -0.77 0.22 0.00 0.00 0.00 0.00 19.45 19.12 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 1.22 0.54 0.00 0.00 0.11 0.92 1.00 114.38 118.19 2dn5 h ARG 73 Ca 0.18 -0.17 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 2dn5 h ARG 73 Cb 1.66 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.69 2dn5 h ARG 73 CO 0.38 0.68 -0.19 0.93 0.10 0.00 0.00 179.97 181.87 2dn5 h GLU 74 N 0.50 0.00 0.14 0.08 4.39 -1.81 -3.28 114.58 114.60 2dn5 h GLU 74 Ca 0.09 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.44 2dn5 h GLU 74 Cb 0.54 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2dn5 h GLU 74 CO 0.03 0.07 -1.85 0.45 -1.16 0.00 0.00 179.01 176.55 2dn5 h HIS 75 N 0.00 0.55 -1.66 4.33 3.86 -1.69 -3.46 115.15 117.08 2dn5 h HIS 75 Ca -0.00 -0.40 -0.69 0.00 -1.16 0.00 0.00 60.37 58.12 2dn5 h HIS 75 Cb 1.06 -0.02 0.05 0.00 1.06 0.00 0.00 27.41 29.56 2dn5 h HIS 75 CO 0.00 1.73 0.49 0.28 0.86 0.00 0.00 177.93 181.29 2dn5 n VAL 76 N -3.58 0.03 -3.83 2.45 0.31 0.34 -4.09 118.33 109.96 2dn5 n VAL 76 Ca -0.29 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 2dn5 n VAL 76 Cb 1.04 -0.84 -0.13 0.00 -0.91 0.00 0.00 33.84 32.99 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 0.76 0.14 -0.05 5.55 3.00 0.40 -4.90 118.95 123.85 2dn5 s ARG 77 Ca 0.86 0.17 0.04 0.00 -1.00 0.00 0.00 55.73 55.80 2dn5 s ARG 77 Cb -0.97 0.06 -0.02 0.00 0.00 0.00 0.00 34.95 34.02 2dn5 s ARG 77 CO 0.49 -0.02 -0.16 -1.64 0.00 0.00 0.00 175.30 173.97 2dn5 s MET 78 N 0.08 2.50 -0.10 5.12 -1.94 -1.26 -0.01 119.30 123.70 2dn5 s MET 78 Ca -0.00 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2dn5 s MET 78 Cb -0.01 -2.34 0.02 0.00 2.01 0.00 0.00 34.83 34.52 2dn5 s MET 78 CO 0.00 0.58 -0.05 0.08 -0.01 0.00 0.00 175.02 175.62 2dn5 s VAL 79 N -0.63 0.82 -0.46 -6.03 1.01 0.21 -4.57 120.40 110.75 2dn5 s VAL 79 Ca 0.09 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.63 2dn5 s VAL 79 Cb -0.11 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2dn5 s VAL 79 CO 0.01 0.33 1.71 -0.63 0.00 0.00 0.00 175.10 176.52 2dn5 s ILE 80 N 1.70 3.54 -0.05 2.22 -1.09 -1.26 0.20 121.20 126.46 2dn5 s ILE 80 Ca 0.03 0.49 -0.26 0.00 -2.23 0.00 0.00 60.65 58.68 2dn5 s ILE 80 Cb -0.13 -3.92 -0.22 0.00 -1.58 0.00 0.00 42.46 36.61 2dn5 s ILE 80 CO -0.06 -0.71 1.11 0.40 -1.23 0.00 0.00 174.94 174.44 2dn5 h ILE 81 N 6.73 1.51 -3.71 2.92 1.08 -1.70 -3.41 117.51 120.92 2dn5 h ILE 81 Ca -0.29 -1.60 -0.65 0.00 -0.39 0.00 0.00 64.86 61.92 2dn5 h ILE 81 Cb 1.15 2.55 -0.39 0.00 -3.07 0.00 0.00 36.82 37.05 2dn5 h ILE 81 CO 1.12 0.43 -0.75 0.21 -0.69 0.00 0.00 178.15 178.46 2dn5 s ASN 82 N -5.99 4.54 0.56 1.72 3.84 -0.52 -4.97 114.94 114.12 2dn5 s ASN 82 Ca -0.16 -1.79 -0.07 0.00 0.21 0.00 0.00 52.86 51.05 2dn5 s ASN 82 Cb 0.01 -1.51 -0.02 0.00 -0.55 0.00 0.00 41.25 39.17 2dn5 s ASN 82 CO 0.70 -0.31 0.89 -1.58 -2.79 0.00 0.00 177.10 174.01 2dn5 s GLN 83 N 1.06 3.30 0.38 0.43 0.74 -1.26 -4.85 119.66 119.45 2dn5 s GLN 83 Ca 0.03 0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.68 2dn5 s GLN 83 Cb -0.19 -2.27 0.00 0.00 1.10 0.00 0.00 33.01 31.65 2dn5 s GLN 83 CO -0.08 -0.49 0.00 0.45 -0.55 0.00 0.00 175.29 174.62 2dn5 n SER 84 N -2.50 -6.40 0.00 6.67 2.88 -1.26 -5.07 113.62 107.93 2dn5 n SER 84 Ca 0.03 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2dn5 n SER 84 Cb 0.56 -3.19 0.00 0.00 -0.75 0.00 0.00 64.21 60.83 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 -1.11 -0.27 3.60 0.46 0.00 -1.26 -5.08 105.19 101.54 2dn5 n GLY 85 Ca 0.00 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.61 0.08 1.61 0.04 -1.26 -4.94 135.00 134.13 2dn5 s PRO 86 Ca 0.00 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 61.76 2dn5 s PRO 86 Cb 0.00 -4.01 0.08 0.00 0.04 0.00 0.00 34.50 30.61 2dn5 s PRO 86 CO 0.00 -1.52 0.86 0.45 0.04 0.00 0.00 177.00 176.82 2dn5 s SER 87 N 3.84 -0.34 0.02 6.66 0.15 -1.26 -5.12 113.70 117.64 2dn5 s SER 87 Ca 0.61 -0.14 -0.33 0.00 0.70 0.00 0.00 55.95 56.79 2dn5 s SER 87 Cb -0.14 0.46 -0.12 0.00 -1.71 0.00 0.00 66.02 64.51 2dn5 s SER 87 CO 0.32 -0.78 1.80 -1.20 1.20 0.00 0.00 173.24 174.57 2dn5 n SER 88 N -0.33 3.46 0.00 5.45 7.64 -1.26 -5.26 113.62 123.32 2dn5 n SER 88 Ca -0.09 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2dn5 n SER 88 Cb 0.62 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2dn5 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64