#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 -0.20 -0.28 1.61 1.04 -1.26 -5.18 113.70 109.44 2dn5 s SER 2 Ca 0.00 -0.03 -0.24 0.00 0.48 0.00 0.00 55.95 56.16 2dn5 s SER 2 Cb 0.00 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.47 2dn5 s SER 2 CO 0.00 -0.38 1.00 -0.94 0.98 0.00 0.00 173.24 173.91 2dn5 s SER 3 N -2.37 -0.48 0.00 7.02 1.04 -1.26 -5.10 113.70 112.55 2dn5 s SER 3 Ca 0.09 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2dn5 s SER 3 Cb -0.00 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.06 2dn5 s SER 3 CO -0.05 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2dn5 n GLY 4 N 2.36 2.06 3.36 7.32 0.00 -1.26 -5.16 105.19 113.87 2dn5 n GLY 4 Ca -0.13 0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -2.10 -2.81 1.61 7.64 -1.26 -4.49 113.62 112.22 2dn5 n SER 5 Ca 0.00 -0.08 -0.03 0.00 1.01 0.00 0.00 58.87 59.77 2dn5 n SER 5 Cb 0.00 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2dn5 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn5 n SER 6 N -2.66 -3.44 -0.07 6.43 7.64 -1.26 -4.91 113.62 115.36 2dn5 n SER 6 Ca 0.02 1.19 -0.09 0.00 1.01 0.00 0.00 58.87 61.00 2dn5 n SER 6 Cb 0.59 -3.72 -0.07 0.00 -1.01 0.00 0.00 64.21 59.99 2dn5 n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dn5 h GLY 7 N 4.51 0.00 -0.93 0.23 0.00 -2.02 -3.35 103.07 101.50 2dn5 h GLY 7 Ca -0.33 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.17 2dn5 h GLY 7 CO 0.01 0.00 -0.31 1.41 0.00 0.00 0.00 176.54 177.65 2dn5 h LEU 8 N -1.00 -1.15 -0.94 3.11 3.38 -1.97 0.39 115.31 117.13 2dn5 h LEU 8 Ca -0.03 0.30 0.11 0.00 0.09 0.00 0.00 57.88 58.35 2dn5 h LEU 8 Cb 0.63 0.67 -0.13 0.00 0.09 0.00 0.00 40.66 41.91 2dn5 h LEU 8 CO -0.02 -0.31 -0.50 -0.09 0.09 0.00 0.00 178.44 177.62 2dn5 h ARG 9 N -0.01 -0.03 -0.28 1.13 9.65 -1.93 0.48 114.38 123.38 2dn5 h ARG 9 Ca 0.40 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.28 2dn5 h ARG 9 Cb 0.65 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 2dn5 h ARG 9 CO -0.98 -0.02 0.18 0.93 2.80 0.00 0.00 179.97 182.88 2dn5 h GLU 10 N -0.03 0.38 -0.61 0.20 4.39 -0.45 -1.32 114.58 117.13 2dn5 h GLU 10 Ca 0.23 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.03 2dn5 h GLU 10 Cb 0.50 -0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.96 2dn5 h GLU 10 CO -0.93 0.29 -0.05 1.96 -1.16 0.00 0.00 179.01 179.12 2dn5 h GLN 11 N 0.37 0.07 -0.46 2.33 4.20 0.16 0.16 115.11 121.94 2dn5 h GLN 11 Ca 0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2dn5 h GLN 11 Cb -0.00 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2dn5 h GLN 11 CO -0.02 0.05 0.25 0.28 -0.67 0.00 0.00 178.83 178.72 2dn5 h VAL 12 N 0.07 1.17 -0.43 -0.54 2.07 0.10 0.16 116.25 118.85 2dn5 h VAL 12 Ca 0.31 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.49 2dn5 h VAL 12 Cb 0.50 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 2dn5 h VAL 12 CO -0.57 0.18 -0.19 0.11 0.02 0.00 0.00 177.57 177.12 2dn5 h LYS 13 N 0.61 -0.10 -0.45 1.57 1.57 0.38 0.23 116.57 120.37 2dn5 h LYS 13 Ca 0.16 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2dn5 h LYS 13 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2dn5 h LYS 13 CO -0.03 -0.07 0.07 0.93 -0.57 0.00 0.00 179.45 179.79 2dn5 h GLU 14 N -0.10 0.70 0.10 3.15 5.08 -0.61 -1.88 114.58 121.02 2dn5 h GLU 14 Ca 0.21 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2dn5 h GLU 14 Cb 0.42 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dn5 h GLU 14 CO -0.49 0.67 -0.08 1.25 -1.00 0.00 0.00 179.01 179.35 2dn5 h LEU 15 N 0.67 -0.22 -1.57 1.33 5.85 0.14 1.25 115.31 122.77 2dn5 h LEU 15 Ca 0.15 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.16 2dn5 h LEU 15 Cb 0.32 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 2dn5 h LEU 15 CO 0.00 -0.12 0.69 -0.26 -0.34 0.00 0.00 178.44 178.42 2dn5 h PHE 16 N -0.18 0.45 -0.11 1.25 0.04 -0.94 0.92 116.94 118.37 2dn5 h PHE 16 Ca -0.01 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2dn5 h PHE 16 Cb 0.15 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.16 2dn5 h PHE 16 CO -0.03 0.05 -0.66 -0.91 -0.60 0.00 0.00 178.31 176.16 2dn5 h ASN 17 N 0.28 0.51 -0.46 2.17 4.21 -0.76 -2.09 115.58 119.43 2dn5 h ASN 17 Ca 0.56 -0.31 -0.08 0.00 1.21 0.00 0.00 56.30 57.67 2dn5 h ASN 17 Cb 1.64 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 38.67 2dn5 h ASN 17 CO -0.20 1.03 -0.04 -0.33 -1.29 0.00 0.00 177.43 176.60 2dn5 h GLU 18 N 0.31 0.84 0.49 0.81 4.39 0.90 0.20 114.58 122.52 2dn5 h GLU 18 Ca -0.02 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 2dn5 h GLU 18 Cb 1.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2dn5 h GLU 18 CO 0.12 0.91 -0.24 0.87 -1.16 0.00 0.00 179.01 179.51 2dn5 h LYS 19 N 0.68 -0.64 -0.62 2.33 1.79 -0.84 -2.37 116.57 116.90 2dn5 h LYS 19 Ca 0.12 0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.75 2dn5 h LYS 19 Cb 0.56 0.15 -0.12 0.00 -1.58 0.00 0.00 32.23 31.24 2dn5 h LYS 19 CO 0.03 -0.37 -0.28 -0.92 -1.08 0.00 0.00 179.45 176.83 2dn5 h TYR 20 N -0.78 -0.74 -0.07 -1.35 3.20 -1.36 0.31 116.97 116.18 2dn5 h TYR 20 Ca -0.07 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2dn5 h TYR 20 Cb 0.56 0.42 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2dn5 h TYR 20 CO -0.02 -0.35 -0.44 0.78 -1.64 0.00 0.00 178.16 176.49 2dn5 h GLY 21 N -0.11 -0.80 0.46 1.82 0.00 -1.30 1.18 103.07 104.31 2dn5 h GLY 21 Ca 0.27 0.54 0.08 0.00 0.00 0.00 0.00 47.33 48.21 2dn5 h GLY 21 CO -0.69 -0.23 0.15 0.83 0.00 0.00 0.00 176.54 176.59 2dn5 h GLU 22 N -0.55 0.29 -0.33 4.80 5.08 -0.69 0.12 114.58 123.30 2dn5 h GLU 22 Ca 0.06 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2dn5 h GLU 22 Cb 0.65 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2dn5 h GLU 22 CO -0.37 0.19 0.08 0.00 -1.00 0.00 0.00 179.01 177.91 2dn5 h ALA 23 N 1.35 1.51 0.00 3.43 0.00 0.51 0.19 119.26 126.26 2dn5 h ALA 23 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dn5 h ALA 23 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2dn5 h ALA 23 CO -0.28 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2dn5 n LEU 24 N -4.35 0.00 -0.36 0.00 4.77 0.40 -4.57 117.00 112.89 2dn5 n LEU 24 Ca 0.02 0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 56.30 2dn5 n LEU 24 Cb 0.18 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2dn5 n LEU 24 CO 0.37 -0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 176.87 2dn5 n GLY 25 N 0.30 0.49 2.26 -0.72 0.00 0.68 -5.03 105.19 103.17 2dn5 n GLY 25 Ca 0.08 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.49 0.00 -0.13 0.99 4.77 -0.20 -5.01 117.00 116.93 2dn5 n LEU 26 Ca -0.04 -1.49 0.09 0.00 -0.03 0.00 0.00 56.01 54.54 2dn5 n LEU 26 Cb 0.29 -0.21 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 2dn5 n LEU 26 CO 0.06 -0.59 0.53 -3.20 -1.33 0.00 0.00 177.39 172.86 2dn5 n ASN 27 N -2.49 2.13 -3.91 -1.43 2.85 -1.26 -4.32 115.26 106.82 2dn5 n ASN 27 Ca 0.08 -3.03 -0.09 0.00 -0.11 0.00 0.00 54.58 51.42 2dn5 n ASN 27 Cb 0.35 -0.42 -0.09 0.00 1.24 0.00 0.00 39.78 40.87 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 0.64 0.23 1.20 1.70 -1.26 -5.07 118.95 113.74 2dn5 s ARG 28 Ca 0.30 -0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 2dn5 s ARG 28 Cb 0.26 0.25 -0.09 0.00 -0.57 0.00 0.00 34.95 34.81 2dn5 s ARG 28 CO 0.02 -0.17 1.10 -1.25 -1.08 0.00 0.00 175.30 173.92 2dn5 s PRO 29 N -2.82 4.62 -0.00 3.89 0.04 -1.26 -4.14 135.00 135.33 2dn5 s PRO 29 Ca -0.03 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.81 2dn5 s PRO 29 Cb 0.00 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2dn5 s PRO 29 CO -0.05 0.15 -0.13 0.08 0.04 0.00 0.00 177.00 177.08 2dn5 s VAL 30 N -0.69 1.04 0.64 -0.36 1.01 0.64 -4.89 120.40 117.79 2dn5 s VAL 30 Ca 0.47 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 2dn5 s VAL 30 Cb -0.31 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2dn5 s VAL 30 CO 0.38 0.25 1.26 0.18 0.00 0.00 0.00 175.10 177.17 2dn5 n LEU 31 N 2.64 5.78 -4.67 3.92 4.77 -1.26 -4.16 117.00 124.02 2dn5 n LEU 31 Ca -0.15 0.83 -0.37 0.00 -0.03 0.00 0.00 56.01 56.29 2dn5 n LEU 31 Cb 0.55 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.02 2dn5 n LEU 31 CO 0.24 -1.08 -0.04 -0.69 -1.33 0.00 0.00 177.39 174.49 2dn5 s VAL 32 N -1.40 5.28 -1.08 4.08 1.01 -1.26 -4.97 120.40 122.06 2dn5 s VAL 32 Ca 0.82 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 2dn5 s VAL 32 Cb -0.39 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2dn5 s VAL 32 CO 0.41 0.31 2.53 -0.81 0.00 0.00 0.00 175.10 177.53 2dn5 n PRO 33 N 4.31 2.64 -0.32 2.72 -0.04 -1.26 -4.66 135.00 138.40 2dn5 n PRO 33 Ca -0.12 -1.66 0.17 0.00 -0.04 0.00 0.00 63.50 61.85 2dn5 n PRO 33 Cb 0.52 -2.52 0.35 0.00 -0.04 0.00 0.00 33.50 31.80 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 5.51 0.34 -0.73 0.54 0.05 -1.97 0.84 116.97 121.55 2dn5 h TYR 34 Ca 0.60 0.05 0.16 0.00 0.05 0.00 0.00 58.73 59.60 2dn5 h TYR 34 Cb 0.32 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.95 2dn5 h TYR 34 CO 1.89 -0.32 0.13 0.87 -1.05 0.00 0.00 178.16 179.68 2dn5 h LYS 35 N 0.12 0.21 0.10 4.88 1.57 -1.99 1.36 116.57 122.82 2dn5 h LYS 35 Ca 0.62 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2dn5 h LYS 35 Cb 1.35 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2dn5 h LYS 35 CO -0.75 0.14 -0.05 -0.07 -0.57 0.00 0.00 179.45 178.15 2dn5 h LEU 36 N 0.21 -0.11 -0.97 2.94 3.38 0.25 -2.64 115.31 118.38 2dn5 h LEU 36 Ca 0.41 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.77 2dn5 h LEU 36 Cb 0.71 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 41.31 2dn5 h LEU 36 CO -0.55 -0.02 0.46 -0.38 0.09 0.00 0.00 178.44 178.04 2dn5 n ILE 37 N -2.65 -0.41 0.05 1.22 5.41 -0.29 0.20 119.36 122.90 2dn5 n ILE 37 Ca -0.02 1.99 -0.11 0.00 1.00 0.00 0.00 62.75 65.61 2dn5 n ILE 37 Cb 0.05 -3.19 -0.05 0.00 -0.71 0.00 0.00 39.64 35.74 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 -0.17 -0.12 0.38 9.65 0.18 -2.74 114.38 121.57 2dn5 h ARG 38 Ca 0.79 0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 59.54 2dn5 h ARG 38 Cb 2.06 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 30.68 2dn5 h ARG 38 CO -0.77 -0.11 -0.49 -0.44 2.80 0.00 0.00 179.97 180.96 2dn5 h ASP 39 N -0.17 0.64 -3.38 -3.80 3.32 0.21 -3.39 116.42 109.84 2dn5 h ASP 39 Ca 0.04 -0.62 -0.71 0.00 0.02 0.00 0.00 57.03 55.75 2dn5 h ASP 39 Cb 0.22 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 39.27 2dn5 h ASP 39 CO -0.10 1.16 -0.46 -0.55 -1.72 0.00 0.00 179.24 177.57 2dn5 s SER 40 N -6.67 5.53 0.14 6.45 0.15 0.53 -4.91 113.70 114.91 2dn5 s SER 40 Ca -0.13 -1.91 0.24 0.00 0.70 0.00 0.00 55.95 54.85 2dn5 s SER 40 Cb 0.06 -1.94 0.91 0.00 -1.71 0.00 0.00 66.02 63.34 2dn5 s SER 40 CO 0.83 -0.62 1.73 -0.81 1.20 0.00 0.00 173.24 175.56 2dn5 n PRO 41 N 4.79 0.14 -1.74 5.44 -0.04 -1.05 -3.04 135.00 139.50 2dn5 n PRO 41 Ca -0.06 0.24 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 2dn5 n PRO 41 Cb 0.41 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 2dn5 n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dn5 n ASP 42 N -1.95 6.88 -0.05 3.54 -0.08 -1.26 -4.44 116.55 119.19 2dn5 n ASP 42 Ca 0.04 -3.79 -0.10 0.00 -1.51 0.00 0.00 54.79 49.43 2dn5 n ASP 42 Cb 0.30 -0.84 -0.03 0.00 2.34 0.00 0.00 41.12 42.88 2dn5 n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dn5 n ALA 43 N -0.73 2.33 -2.84 -1.67 0.00 -1.17 -3.94 120.51 112.48 2dn5 n ALA 43 Ca 0.55 -0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 2dn5 n ALA 43 Cb 0.59 0.35 -0.13 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.20 0.24 -0.23 0.00 1.01 -1.26 -0.38 120.40 117.58 2dn5 s VAL 44 Ca -0.14 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 2dn5 s VAL 44 Cb 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.14 2dn5 s VAL 44 CO 0.18 -0.06 0.14 -0.70 0.00 0.00 0.00 175.10 174.66 2dn5 s GLU 45 N -0.42 4.08 -0.15 2.72 2.12 0.49 -4.81 118.70 122.73 2dn5 s GLU 45 Ca -0.02 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.04 2dn5 s GLU 45 Cb -0.03 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 2dn5 s GLU 45 CO -0.00 0.12 -0.15 0.08 -0.54 0.00 0.00 175.26 174.77 2dn5 s VAL 46 N 0.87 2.77 0.26 3.70 1.01 -1.26 0.67 120.40 128.41 2dn5 s VAL 46 Ca 0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 2dn5 s VAL 46 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2dn5 s VAL 46 CO 0.03 0.52 0.32 0.42 0.00 0.00 0.00 175.10 176.38 2dn5 s THR 47 N 0.69 0.00 0.00 3.92 -4.23 0.89 -4.88 115.64 112.03 2dn5 s THR 47 Ca -0.07 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2dn5 s THR 47 Cb -0.16 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.23 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 -0.41 2.97 3.15 3.99 0.00 -1.26 0.18 105.19 113.82 2dn5 n GLY 48 Ca 0.02 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 -3.39 -4.81 0.99 4.77 -1.26 -3.85 117.00 109.44 2dn5 n LEU 49 Ca 0.00 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.79 2dn5 n LEU 49 Cb 0.00 -0.85 0.01 0.00 -2.33 0.00 0.00 43.42 40.26 2dn5 n LEU 49 CO 0.00 -4.26 0.71 -2.16 -1.33 0.00 0.00 177.39 170.35 2dn5 s PRO 50 N -2.63 3.30 0.40 3.23 0.04 -1.26 -4.94 135.00 133.15 2dn5 s PRO 50 Ca 0.46 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 62.37 2dn5 s PRO 50 Cb -0.12 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2dn5 s PRO 50 CO 0.73 -0.82 1.20 0.16 0.04 0.00 0.00 177.00 178.31 2dn5 s ASP 51 N -3.02 6.45 -0.81 6.66 1.47 -1.26 -2.84 116.67 123.32 2dn5 s ASP 51 Ca 0.62 2.41 -0.01 0.00 1.18 0.00 0.00 52.55 56.75 2dn5 s ASP 51 Cb -0.15 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.81 2dn5 s ASP 51 CO 0.40 -0.73 0.15 -0.67 0.68 0.00 0.00 175.17 175.00 2dn5 n ASP 52 N 0.05 -3.59 -3.63 2.11 2.03 -1.26 -5.01 116.55 107.25 2dn5 n ASP 52 Ca 0.04 -0.08 -0.10 0.00 0.52 0.00 0.00 54.79 55.18 2dn5 n ASP 52 Cb 0.46 -2.66 -0.10 0.00 -0.72 0.00 0.00 41.12 38.09 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 -2.68 -0.57 0.00 5.18 1.01 -1.13 -5.10 121.20 117.91 2dn5 s ILE 53 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2dn5 s ILE 53 Cb -0.03 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2dn5 s ILE 53 CO 0.09 0.06 0.00 -0.81 0.00 0.00 0.00 174.94 174.29 2dn5 n PRO 54 N 5.38 0.35 -3.78 2.79 -0.04 -1.26 -4.61 135.00 133.82 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 33.82 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 -0.43 2.27 0.28 0.54 5.36 -1.26 -4.95 117.98 119.79 2dn5 s PHE 55 Ca 0.00 -2.41 0.02 0.00 -0.96 0.00 0.00 56.93 53.58 2dn5 s PHE 55 Cb 0.00 -2.08 -0.03 0.00 -0.34 0.00 0.00 43.02 40.57 2dn5 s PHE 55 CO 0.00 -0.82 0.26 1.03 -1.46 0.00 0.00 175.22 174.23 2dn5 s ARG 56 N 0.66 1.57 0.16 10.12 0.52 -1.26 -5.04 118.95 125.68 2dn5 s ARG 56 Ca 0.15 -1.80 -0.29 0.00 -0.52 0.00 0.00 55.73 53.27 2dn5 s ARG 56 Cb -0.22 0.33 -0.17 0.00 0.52 0.00 0.00 34.95 35.41 2dn5 s ARG 56 CO -0.07 -0.58 0.59 -1.71 0.02 0.00 0.00 175.30 173.56 2dn5 n ASN 57 N -1.00 -1.02 0.03 0.23 5.15 -1.26 -4.79 115.26 112.60 2dn5 n ASN 57 Ca 0.04 1.11 0.11 0.00 -0.60 0.00 0.00 54.58 55.24 2dn5 n ASN 57 Cb 0.63 -0.92 0.46 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 1.05 0.06 -2.45 1.20 -0.04 -1.26 -4.09 135.00 129.48 2dn5 n PRO 58 Ca 0.18 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2dn5 n PRO 58 Cb 0.22 -1.59 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 2dn5 n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2dn5 n ASN 59 N -1.70 5.26 0.00 3.54 3.02 -1.26 -3.67 115.26 120.44 2dn5 n ASN 59 Ca 0.05 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.46 2dn5 n ASN 59 Cb 0.27 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2dn5 n THR 60 N 3.14 0.00 -0.51 3.41 5.66 -1.26 -5.15 114.28 119.56 2dn5 n THR 60 Ca 0.38 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.17 2dn5 n THR 60 Cb 0.36 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.31 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 -2.40 -4.24 1.09 4.01 -1.24 -5.02 117.16 109.36 2dn5 n TYR 61 Ca 0.00 -0.07 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 2dn5 n TYR 61 Cb 0.00 -1.40 -0.07 0.00 -0.31 0.00 0.00 39.34 37.56 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 -2.07 4.48 0.34 7.72 1.11 -1.26 -4.88 116.67 122.12 2dn5 s ASP 62 Ca 0.41 -0.78 0.14 0.00 0.18 0.00 0.00 52.55 52.50 2dn5 s ASP 62 Cb -0.07 -0.72 1.11 0.00 1.07 0.00 0.00 42.92 44.32 2dn5 s ASP 62 CO 0.39 -0.16 1.60 -0.29 1.18 0.00 0.00 175.17 177.89 2dn5 h ILE 63 N 1.76 0.09 0.00 0.77 2.10 -1.98 0.80 117.51 121.05 2dn5 h ILE 63 Ca -0.44 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.48 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 0.02 0.00 1.41 -1.08 0.00 0.00 178.15 179.12 2dn5 n HIS 64 N -5.27 0.00 -0.30 2.19 8.25 -1.26 -0.95 115.22 117.89 2dn5 n HIS 64 Ca 0.32 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.81 2dn5 n HIS 64 Cb 1.06 -0.34 0.10 0.00 1.12 0.00 0.00 29.99 31.93 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 -0.53 -0.41 3.08 -1.61 0.98 114.38 115.88 2dn5 h ARG 65 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2dn5 h ARG 65 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 2dn5 h ARG 65 CO 0.00 -0.01 -0.11 -0.07 -1.07 0.00 0.00 179.97 178.71 2dn5 h LEU 66 N -0.01 -0.45 0.12 3.04 3.38 0.55 0.35 115.31 122.29 2dn5 h LEU 66 Ca 0.39 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 2dn5 h LEU 66 Cb 0.61 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dn5 h LEU 66 CO -0.86 -0.16 -0.06 -0.33 0.09 0.00 0.00 178.44 177.11 2dn5 h GLU 67 N 0.02 -0.16 -0.48 1.13 4.39 0.20 -2.14 114.58 117.53 2dn5 h GLU 67 Ca 0.26 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.03 2dn5 h GLU 67 Cb 0.39 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 28.99 2dn5 h GLU 67 CO -0.53 0.16 -0.52 0.87 -1.16 0.00 0.00 179.01 177.84 2dn5 h LYS 68 N -0.49 -0.32 -0.21 2.33 1.79 0.16 0.88 116.57 120.72 2dn5 h LYS 68 Ca -0.02 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2dn5 h LYS 68 Cb 0.40 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.05 2dn5 h LYS 68 CO 0.03 -0.21 -0.43 0.82 -1.08 0.00 0.00 179.45 178.58 2dn5 h ILE 69 N -0.33 0.13 -0.65 1.86 2.04 -0.35 0.76 117.51 120.98 2dn5 h ILE 69 Ca 0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.16 2dn5 h ILE 69 Cb 0.58 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2dn5 h ILE 69 CO -0.64 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 177.92 2dn5 h LEU 70 N -0.45 0.00 -0.57 1.44 3.38 -0.40 1.12 115.31 119.83 2dn5 h LEU 70 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2dn5 h LEU 70 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2dn5 h LEU 70 CO -0.45 0.00 -0.69 0.11 0.09 0.00 0.00 178.44 177.50 2dn5 h LYS 71 N 0.00 0.12 -0.45 1.13 1.57 0.68 -2.85 116.57 116.78 2dn5 h LYS 71 Ca 0.31 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2dn5 h LYS 71 Cb 1.27 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 2dn5 h LYS 71 CO -0.00 0.77 0.02 0.00 -0.57 0.00 0.00 179.45 179.66 2dn5 n ALA 72 N -2.44 3.58 -0.17 3.86 0.00 0.32 -4.54 120.51 121.11 2dn5 n ALA 72 Ca -0.02 -2.15 0.15 0.00 0.00 0.00 0.00 53.44 51.42 2dn5 n ALA 72 Cb 0.68 -0.95 0.49 0.00 0.00 0.00 0.00 19.45 19.67 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 2.91 0.43 -0.02 0.00 0.11 0.62 0.99 114.38 119.42 2dn5 h ARG 73 Ca 0.02 -0.03 -0.18 0.00 0.10 0.00 0.00 59.98 59.89 2dn5 h ARG 73 Cb 1.78 -0.10 0.01 0.00 1.11 0.00 0.00 29.97 32.78 2dn5 h ARG 73 CO 0.40 0.28 -0.71 0.93 0.10 0.00 0.00 179.97 180.97 2dn5 h GLU 74 N 0.44 0.52 -0.38 0.08 5.08 -1.83 -3.28 114.58 115.21 2dn5 h GLU 74 Ca 0.38 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2dn5 h GLU 74 Cb 0.83 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2dn5 h GLU 74 CO -0.13 1.16 0.01 0.45 -1.00 0.00 0.00 179.01 179.51 2dn5 h HIS 75 N 0.08 0.72 -1.28 4.33 3.86 -1.40 -3.44 115.15 118.03 2dn5 h HIS 75 Ca -0.08 -0.12 -0.74 0.00 -1.16 0.00 0.00 60.37 58.27 2dn5 h HIS 75 Cb 1.39 -0.19 0.05 0.00 1.06 0.00 0.00 27.41 29.73 2dn5 h HIS 75 CO 0.13 0.74 0.20 0.28 0.86 0.00 0.00 177.93 180.14 2dn5 n VAL 76 N -4.48 0.08 -3.75 2.45 0.31 0.33 -4.13 118.33 109.14 2dn5 n VAL 76 Ca -0.01 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.17 2dn5 n VAL 76 Cb 0.27 -0.33 -0.12 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.29 -0.01 5.55 6.06 0.49 -4.88 118.95 126.58 2dn5 s ARG 77 Ca 0.87 0.47 0.03 0.00 -2.50 0.00 0.00 55.73 54.60 2dn5 s ARG 77 Cb -1.13 0.04 -0.03 0.00 0.06 0.00 0.00 34.95 33.89 2dn5 s ARG 77 CO 0.53 -0.09 -0.08 -1.64 -2.50 0.00 0.00 175.30 171.52 2dn5 s MET 78 N 0.65 2.55 -0.07 5.12 -1.94 -1.26 -0.08 119.30 124.27 2dn5 s MET 78 Ca -0.04 -0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2dn5 s MET 78 Cb -0.05 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.33 2dn5 s MET 78 CO -0.04 0.61 0.02 0.08 -0.01 0.00 0.00 175.02 175.68 2dn5 s VAL 79 N -0.94 0.25 -0.40 -6.03 1.01 0.21 -4.53 120.40 109.96 2dn5 s VAL 79 Ca 0.16 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 2dn5 s VAL 79 Cb -0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.78 2dn5 s VAL 79 CO 0.06 0.20 1.87 -0.63 0.00 0.00 0.00 175.10 176.59 2dn5 s ILE 80 N 2.02 3.40 -0.09 2.22 -1.09 -1.26 0.18 121.20 126.58 2dn5 s ILE 80 Ca 0.05 0.37 -0.26 0.00 -2.23 0.00 0.00 60.65 58.58 2dn5 s ILE 80 Cb -0.13 -3.65 -0.27 0.00 -1.58 0.00 0.00 42.46 36.83 2dn5 s ILE 80 CO -0.05 -0.49 0.86 0.40 -1.23 0.00 0.00 174.94 174.43 2dn5 h ILE 81 N 6.89 1.66 -2.01 2.92 1.08 -1.67 -3.45 117.51 122.94 2dn5 h ILE 81 Ca -0.31 -2.32 -0.24 0.00 -0.39 0.00 0.00 64.86 61.60 2dn5 h ILE 81 Cb 1.18 3.21 -0.31 0.00 -3.07 0.00 0.00 36.82 37.82 2dn5 h ILE 81 CO 1.08 0.62 -0.56 0.21 -0.69 0.00 0.00 178.15 178.81 2dn5 s ASN 82 N -6.45 0.86 -0.11 1.72 3.84 0.49 -4.96 114.94 110.33 2dn5 s ASN 82 Ca -0.17 -0.28 -0.33 0.00 0.21 0.00 0.00 52.86 52.30 2dn5 s ASN 82 Cb -0.01 0.83 0.12 0.00 -0.55 0.00 0.00 41.25 41.64 2dn5 s ASN 82 CO 0.74 -0.34 1.12 -1.58 -2.79 0.00 0.00 177.10 174.25 2dn5 s GLN 83 N 2.46 0.49 -0.30 0.43 2.00 -1.26 -4.57 119.66 118.91 2dn5 s GLN 83 Ca 0.10 -0.20 -0.19 0.00 -2.00 0.00 0.00 55.36 53.08 2dn5 s GLN 83 Cb -0.14 0.21 0.18 0.00 0.80 0.00 0.00 33.01 34.06 2dn5 s GLN 83 CO -0.24 -0.22 1.27 0.45 -0.50 0.00 0.00 175.29 176.05 2dn5 s SER 84 N -2.37 -0.04 0.00 6.67 0.15 -1.26 -5.12 113.70 111.73 2dn5 s SER 84 Ca 0.09 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dn5 s SER 84 Cb -0.00 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 2dn5 s SER 84 CO -0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dn5 n GLY 85 N 5.18 2.14 3.81 9.45 0.00 -1.26 -5.16 105.19 119.34 2dn5 n GLY 85 Ca -0.09 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.78 3.25 -0.03 1.61 0.04 -1.26 -5.07 135.00 132.76 2dn5 s PRO 86 Ca 0.00 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2dn5 s PRO 86 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dn5 s PRO 86 CO 0.00 -0.86 -0.10 -1.54 0.04 0.00 0.00 177.00 174.54 2dn5 s SER 87 N -3.15 1.36 -0.30 6.66 1.04 -1.26 -5.11 113.70 112.94 2dn5 s SER 87 Ca 0.61 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.73 2dn5 s SER 87 Cb -0.15 -0.35 0.17 0.00 0.10 0.00 0.00 66.02 65.80 2dn5 s SER 87 CO 0.42 0.09 0.86 -0.94 0.98 0.00 0.00 173.24 174.65 2dn5 s SER 88 N 0.13 -0.83 0.00 7.02 1.04 -1.26 -5.20 113.70 114.60 2dn5 s SER 88 Ca -0.03 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dn5 s SER 88 Cb -0.09 1.77 0.00 0.00 0.10 0.00 0.00 66.02 67.80 2dn5 s SER 88 CO 0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.68