#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 6.45 -1.22 1.61 0.15 -1.26 -4.98 113.70 114.45 2dn5 s SER 2 Ca 0.00 0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 2dn5 s SER 2 Cb 0.00 -2.32 0.09 0.00 -1.71 0.00 0.00 66.02 62.08 2dn5 s SER 2 CO 0.00 -0.53 1.59 -0.44 1.20 0.00 0.00 173.24 175.07 2dn5 s SER 3 N 1.71 6.84 0.00 5.45 0.01 -1.26 -4.76 113.70 121.69 2dn5 s SER 3 Ca 0.24 -2.42 0.00 0.00 1.31 0.00 0.00 55.95 55.09 2dn5 s SER 3 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2dn5 s SER 3 CO 0.13 -1.11 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2dn5 n GLY 4 N 5.31 -0.63 3.70 3.44 0.00 -1.26 -5.11 105.19 110.63 2dn5 n GLY 4 Ca 0.42 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.00 6.98 -0.24 1.61 0.01 -1.26 -5.00 113.70 111.79 2dn5 s SER 5 Ca 0.00 1.99 -0.01 0.00 1.31 0.00 0.00 55.95 59.24 2dn5 s SER 5 Cb 0.00 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.74 2dn5 s SER 5 CO 0.00 -0.61 0.04 -0.94 0.41 0.00 0.00 173.24 172.14 2dn5 s SER 6 N 1.50 3.48 -0.19 2.44 1.04 -1.26 -5.00 113.70 115.71 2dn5 s SER 6 Ca 0.60 -1.17 -0.18 0.00 0.48 0.00 0.00 55.95 55.67 2dn5 s SER 6 Cb -0.29 -0.81 -0.15 0.00 0.10 0.00 0.00 66.02 64.88 2dn5 s SER 6 CO 0.26 -0.33 0.11 0.61 0.98 0.00 0.00 173.24 174.86 2dn5 n GLY 7 N 4.90 -0.87 0.33 7.32 0.00 -1.26 -4.16 105.19 111.45 2dn5 n GLY 7 Ca -0.07 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.00 -0.42 -0.29 0.99 3.38 -1.95 0.18 115.31 116.20 2dn5 h LEU 8 Ca -0.26 0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2dn5 h LEU 8 Cb 1.10 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 42.23 2dn5 h LEU 8 CO -0.16 -0.30 -0.42 -0.09 0.09 0.00 0.00 178.44 177.57 2dn5 h ARG 9 N 0.05 -0.30 0.20 1.13 9.65 -1.93 0.55 114.38 123.73 2dn5 h ARG 9 Ca 0.55 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.46 2dn5 h ARG 9 Cb 1.10 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2dn5 h ARG 9 CO -0.85 -0.20 -0.23 0.93 2.80 0.00 0.00 179.97 182.42 2dn5 h GLU 10 N -0.31 -0.46 -1.01 0.20 5.08 -0.93 -1.30 114.58 115.85 2dn5 h GLU 10 Ca 0.05 0.03 0.42 0.00 -1.00 0.00 0.00 59.36 58.86 2dn5 h GLU 10 Cb 0.45 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 29.63 2dn5 h GLU 10 CO -0.43 -0.31 0.55 1.96 -1.00 0.00 0.00 179.01 179.78 2dn5 h GLN 11 N -0.48 0.02 0.13 2.33 4.20 -0.16 0.76 115.11 121.91 2dn5 h GLN 11 Ca 0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2dn5 h GLN 11 Cb 0.46 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2dn5 h GLN 11 CO -0.08 0.01 -0.06 0.28 -0.67 0.00 0.00 178.83 178.31 2dn5 h VAL 12 N 0.02 1.02 -0.91 -0.54 2.07 0.04 -1.62 116.25 116.32 2dn5 h VAL 12 Ca 0.84 -1.11 0.26 0.00 0.82 0.00 0.00 66.70 67.51 2dn5 h VAL 12 Cb 2.24 1.66 -0.15 0.00 -1.52 0.00 0.00 31.29 33.51 2dn5 h VAL 12 CO -0.75 0.24 0.23 0.11 0.02 0.00 0.00 177.57 177.43 2dn5 h LYS 13 N -0.75 0.15 -0.20 1.57 1.57 0.15 1.51 116.57 120.57 2dn5 h LYS 13 Ca -0.02 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2dn5 h LYS 13 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2dn5 h LYS 13 CO 0.03 0.10 -0.43 0.93 -0.57 0.00 0.00 179.45 179.51 2dn5 h GLU 14 N 0.16 0.48 0.19 3.15 5.08 -0.82 -2.20 114.58 120.62 2dn5 h GLU 14 Ca 0.59 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 2dn5 h GLU 14 Cb 1.25 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2dn5 h GLU 14 CO -0.71 0.82 -0.11 1.25 -1.00 0.00 0.00 179.01 179.26 2dn5 h LEU 15 N 0.39 -0.27 -1.06 1.33 5.85 0.30 1.46 115.31 123.32 2dn5 h LEU 15 Ca 0.03 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.01 2dn5 h LEU 15 Cb 0.92 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 2dn5 h LEU 15 CO 0.08 -0.17 0.61 -0.26 -0.34 0.00 0.00 178.44 178.35 2dn5 h PHE 16 N -0.28 0.97 -0.35 1.25 0.04 -1.06 0.42 116.94 117.93 2dn5 h PHE 16 Ca -0.03 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.67 2dn5 h PHE 16 Cb 0.22 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2dn5 h PHE 16 CO 0.10 0.08 -0.20 -0.91 -0.60 0.00 0.00 178.31 176.79 2dn5 h ASN 17 N 0.57 0.77 -0.32 2.17 4.21 -1.14 -1.71 115.58 120.14 2dn5 h ASN 17 Ca 0.63 -0.42 0.01 0.00 1.21 0.00 0.00 56.30 57.73 2dn5 h ASN 17 Cb 1.23 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 38.20 2dn5 h ASN 17 CO -0.44 1.02 0.19 -0.33 -1.29 0.00 0.00 177.43 176.59 2dn5 h GLU 18 N 0.52 0.38 0.17 0.81 4.39 0.61 -0.79 114.58 120.68 2dn5 h GLU 18 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2dn5 h GLU 18 Cb 0.75 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2dn5 h GLU 18 CO 0.06 0.25 -0.17 0.87 -1.16 0.00 0.00 179.01 178.86 2dn5 h LYS 19 N 0.39 -0.36 -0.59 2.33 1.79 -0.56 -1.86 116.57 117.71 2dn5 h LYS 19 Ca 0.12 0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.74 2dn5 h LYS 19 Cb -0.01 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 30.61 2dn5 h LYS 19 CO -0.05 -0.24 -0.18 -0.92 -1.08 0.00 0.00 179.45 176.98 2dn5 h TYR 20 N -0.37 -0.40 0.08 -1.35 3.20 -1.01 0.59 116.97 117.71 2dn5 h TYR 20 Ca 0.00 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.95 2dn5 h TYR 20 Cb 0.35 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2dn5 h TYR 20 CO -0.14 -0.28 -0.35 0.78 -1.64 0.00 0.00 178.16 176.54 2dn5 h GLY 21 N -0.03 -0.65 0.81 1.82 0.00 -0.87 0.66 103.07 104.80 2dn5 h GLY 21 Ca 0.28 0.41 0.04 0.00 0.00 0.00 0.00 47.33 48.06 2dn5 h GLY 21 CO -0.62 -0.25 0.39 0.83 0.00 0.00 0.00 176.54 176.89 2dn5 h GLU 22 N -0.55 0.73 -0.81 4.80 5.08 -0.45 0.43 114.58 123.81 2dn5 h GLU 22 Ca 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dn5 h GLU 22 Cb 0.60 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2dn5 h GLU 22 CO -0.23 0.48 0.49 0.00 -1.00 0.00 0.00 179.01 178.76 2dn5 h ALA 23 N 1.30 1.34 0.00 3.43 0.00 0.85 0.28 119.26 126.46 2dn5 h ALA 23 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2dn5 h ALA 23 Cb 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2dn5 h ALA 23 CO -0.13 0.57 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2dn5 n LEU 24 N -4.38 0.00 0.00 0.00 4.77 0.22 -4.63 117.00 112.98 2dn5 n LEU 24 Ca 0.09 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2dn5 n LEU 24 Cb 0.06 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 2dn5 n LEU 24 CO 0.37 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 2dn5 n GLY 25 N 0.01 0.45 3.90 -0.72 0.00 0.97 -5.04 105.19 104.76 2dn5 n GLY 25 Ca 0.05 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 0.01 -4.99 117.00 117.58 2dn5 n LEU 26 Ca 0.00 -2.18 0.09 0.00 -0.03 0.00 0.00 56.01 53.90 2dn5 n LEU 26 Cb 0.00 -0.61 0.16 0.00 -2.33 0.00 0.00 43.42 40.63 2dn5 n LEU 26 CO 0.00 -0.95 0.57 -0.46 -1.33 0.00 0.00 177.39 175.23 2dn5 n ASN 27 N -2.82 2.47 -3.99 -1.43 0.23 -1.26 -4.16 115.26 104.30 2dn5 n ASN 27 Ca 0.17 -3.14 -0.09 0.00 -0.53 0.00 0.00 54.58 50.98 2dn5 n ASN 27 Cb 0.59 -0.45 -0.11 0.00 -2.08 0.00 0.00 39.78 37.74 2dn5 n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dn5 s ARG 28 N -2.90 0.36 0.14 -3.83 1.70 -1.26 -5.06 118.95 108.11 2dn5 s ARG 28 Ca 0.34 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 2dn5 s ARG 28 Cb 0.29 0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 2dn5 s ARG 28 CO 0.03 -0.06 1.13 -1.25 -1.08 0.00 0.00 175.30 174.07 2dn5 s PRO 29 N -1.81 4.54 -0.01 3.89 0.04 -1.26 -4.12 135.00 136.27 2dn5 s PRO 29 Ca -0.13 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.70 2dn5 s PRO 29 Cb -0.07 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 2dn5 s PRO 29 CO -0.02 -0.03 -0.15 0.08 0.04 0.00 0.00 177.00 176.92 2dn5 s VAL 30 N 0.16 1.17 0.98 -0.36 1.01 -0.41 -4.89 120.40 118.06 2dn5 s VAL 30 Ca 0.52 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 2dn5 s VAL 30 Cb -0.29 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.21 2dn5 s VAL 30 CO 0.33 0.31 0.64 0.18 0.00 0.00 0.00 175.10 176.56 2dn5 n LEU 31 N 2.67 0.46 -4.36 3.92 4.77 -1.26 -4.13 117.00 119.07 2dn5 n LEU 31 Ca -0.14 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.73 2dn5 n LEU 31 Cb 0.55 -1.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.24 2dn5 n LEU 31 CO 0.24 -3.10 -0.35 -0.69 -1.33 0.00 0.00 177.39 172.17 2dn5 s VAL 32 N -2.45 3.70 -1.19 4.08 1.01 -1.26 -4.92 120.40 119.37 2dn5 s VAL 32 Ca 0.61 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.11 2dn5 s VAL 32 Cb -0.21 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 2dn5 s VAL 32 CO 0.64 0.40 2.39 -0.81 0.00 0.00 0.00 175.10 177.72 2dn5 n PRO 33 N 4.80 2.64 -0.26 2.72 -0.04 -1.26 -4.68 135.00 138.92 2dn5 n PRO 33 Ca -0.17 -1.85 0.04 0.00 -0.04 0.00 0.00 63.50 61.48 2dn5 n PRO 33 Cb 0.51 -2.69 0.14 0.00 -0.04 0.00 0.00 33.50 31.42 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 6.01 -0.19 -0.79 0.54 0.05 -1.97 0.39 116.97 121.01 2dn5 h TYR 34 Ca 0.62 0.06 0.17 0.00 0.05 0.00 0.00 58.73 59.64 2dn5 h TYR 34 Cb 0.30 0.20 -0.14 0.00 1.01 0.00 0.00 36.73 38.10 2dn5 h TYR 34 CO 1.82 -0.29 -0.08 -0.22 -1.05 0.00 0.00 178.16 178.34 2dn5 h LYS 35 N 0.05 0.05 0.40 4.88 1.63 -1.99 1.45 116.57 123.05 2dn5 h LYS 35 Ca 0.40 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.18 2dn5 h LYS 35 Cb 0.69 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2dn5 h LYS 35 CO -0.73 0.03 -0.19 -0.07 -3.45 0.00 0.00 179.45 175.04 2dn5 h LEU 36 N 0.05 -0.46 -1.81 5.20 3.38 -0.73 -2.45 115.31 118.48 2dn5 h LEU 36 Ca 0.41 0.02 0.40 0.00 0.09 0.00 0.00 57.88 58.80 2dn5 h LEU 36 Cb 0.70 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 2dn5 h LEU 36 CO -0.75 -0.19 1.10 0.40 0.09 0.00 0.00 178.44 179.09 2dn5 h ILE 37 N -0.82 0.18 0.21 1.22 2.04 -0.10 1.35 117.51 121.58 2dn5 h ILE 37 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2dn5 h ILE 37 Cb 0.42 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2dn5 h ILE 37 CO 0.09 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 178.05 2dn5 h ARG 38 N 0.00 -0.27 0.00 2.37 9.65 0.22 -2.98 114.38 123.37 2dn5 h ARG 38 Ca 0.66 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.55 2dn5 h ARG 38 Cb 2.85 0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 31.49 2dn5 h ARG 38 CO -0.01 -0.18 -0.04 0.22 2.80 0.00 0.00 179.97 182.77 2dn5 h ASP 39 N -0.39 0.00 -3.94 -3.80 1.82 -0.44 -3.32 116.42 106.34 2dn5 h ASP 39 Ca -0.03 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 55.97 2dn5 h ASP 39 Cb 0.21 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 39.82 2dn5 h ASP 39 CO 0.05 0.04 -0.68 -0.55 -1.61 0.00 0.00 179.24 176.48 2dn5 s SER 40 N -5.72 4.39 0.26 2.28 0.15 0.44 -4.93 113.70 110.58 2dn5 s SER 40 Ca -0.03 -2.56 0.25 0.00 0.70 0.00 0.00 55.95 54.31 2dn5 s SER 40 Cb 0.13 -1.51 0.90 0.00 -1.71 0.00 0.00 66.02 63.82 2dn5 s SER 40 CO 0.51 -0.30 1.75 1.55 1.20 0.00 0.00 173.24 177.95 2dn5 h PRO 41 N 7.04 0.00 -1.99 5.44 0.13 -1.64 -3.22 132.00 137.76 2dn5 h PRO 41 Ca -0.06 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.35 2dn5 h PRO 41 Cb 0.95 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.76 2dn5 h PRO 41 CO 0.59 0.00 0.44 -0.25 -0.23 0.00 0.00 178.00 178.55 2dn5 n ASP 42 N -2.35 6.48 0.02 1.44 8.00 -1.26 -4.50 116.55 124.38 2dn5 n ASP 42 Ca 0.04 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.78 2dn5 n ASP 42 Cb 0.34 -0.89 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 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 -0.37 3.00 -2.86 2.24 0.00 -1.22 -3.99 120.51 117.31 2dn5 n ALA 43 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 2dn5 n ALA 43 Cb 0.35 0.36 -0.14 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 0.04 -0.17 0.00 1.01 -1.26 -1.32 120.40 116.70 2dn5 s VAL 44 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2dn5 s VAL 44 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 36.38 36.28 2dn5 s VAL 44 CO 0.00 0.00 0.13 -0.70 0.00 0.00 0.00 175.10 174.53 2dn5 s GLU 45 N -0.04 3.93 -0.12 2.72 -6.30 0.52 -4.82 118.70 114.58 2dn5 s GLU 45 Ca -0.00 -0.19 0.03 0.00 -2.50 0.00 0.00 54.97 52.30 2dn5 s GLU 45 Cb -0.00 -3.34 0.00 0.00 0.00 0.00 0.00 34.13 30.79 2dn5 s GLU 45 CO -0.00 0.46 -0.22 0.08 0.02 0.00 0.00 175.26 175.60 2dn5 s VAL 46 N -0.11 2.17 0.23 3.70 1.01 -1.26 0.26 120.40 126.40 2dn5 s VAL 46 Ca 0.10 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 2dn5 s VAL 46 Cb -0.11 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2dn5 s VAL 46 CO 0.00 0.55 0.31 0.42 0.00 0.00 0.00 175.10 176.38 2dn5 s THR 47 N 0.58 0.00 0.00 3.92 -4.23 0.61 -4.88 115.64 111.64 2dn5 s THR 47 Ca -0.12 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2dn5 s THR 47 Cb -0.17 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.30 2dn5 s THR 47 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2dn5 n GLY 48 N -0.34 3.17 3.11 3.99 0.00 -1.26 0.19 105.19 114.05 2dn5 n GLY 48 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.51 -4.78 0.99 4.77 -1.26 -3.88 117.00 109.34 2dn5 n LEU 49 Ca 0.00 0.09 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 2dn5 n LEU 49 Cb 0.00 -0.77 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 2dn5 n LEU 49 CO 0.00 -3.98 0.75 -2.16 -1.33 0.00 0.00 177.39 170.66 2dn5 s PRO 50 N -2.49 4.23 0.41 3.23 0.04 -1.26 -4.94 135.00 134.22 2dn5 s PRO 50 Ca 0.44 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 2dn5 s PRO 50 Cb -0.08 -2.64 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 2dn5 s PRO 50 CO 0.72 -0.10 1.45 -0.51 0.04 0.00 0.00 177.00 178.60 2dn5 s ASP 51 N -1.45 6.13 -0.78 6.66 1.01 -1.26 -2.15 116.67 124.83 2dn5 s ASP 51 Ca 0.56 2.97 -0.02 0.00 0.71 0.00 0.00 52.55 56.77 2dn5 s ASP 51 Cb -0.24 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.03 2dn5 s ASP 51 CO 0.30 -1.01 0.22 -0.67 0.21 0.00 0.00 175.17 174.22 2dn5 n ASP 52 N 0.15 -3.66 -3.61 0.27 2.03 -1.26 -5.01 116.55 105.46 2dn5 n ASP 52 Ca 0.03 -0.10 -0.10 0.00 0.52 0.00 0.00 54.79 55.14 2dn5 n ASP 52 Cb 0.41 -2.66 -0.10 0.00 -0.72 0.00 0.00 41.12 38.05 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 -2.75 -0.59 0.00 5.18 1.01 -0.92 -5.12 121.20 118.02 2dn5 s ILE 53 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2dn5 s ILE 53 Cb -0.05 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2dn5 s ILE 53 CO 0.13 0.04 0.00 -0.81 0.00 0.00 0.00 174.94 174.31 2dn5 n PRO 54 N 5.38 0.22 -3.88 2.79 -0.04 -1.26 -4.57 135.00 133.64 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 -0.15 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 -0.52 2.80 0.23 0.54 5.36 -1.26 -4.94 117.98 120.19 2dn5 s PHE 55 Ca 0.00 -2.54 -0.01 0.00 -0.96 0.00 0.00 56.93 53.42 2dn5 s PHE 55 Cb 0.00 -2.39 -0.03 0.00 -0.34 0.00 0.00 43.02 40.26 2dn5 s PHE 55 CO 0.00 -0.88 0.20 1.03 -1.46 0.00 0.00 175.22 174.11 2dn5 s ARG 56 N 0.92 1.36 0.18 10.12 0.52 -1.26 -5.10 118.95 125.69 2dn5 s ARG 56 Ca 0.12 -1.66 -0.27 0.00 -0.52 0.00 0.00 55.73 53.39 2dn5 s ARG 56 Cb -0.20 0.31 -0.16 0.00 0.52 0.00 0.00 34.95 35.41 2dn5 s ARG 56 CO -0.12 -0.48 0.53 -1.71 0.02 0.00 0.00 175.30 173.55 2dn5 n ASN 57 N -0.54 -1.11 0.04 0.23 5.15 -1.26 -4.79 115.26 112.98 2dn5 n ASN 57 Ca 0.03 1.08 0.11 0.00 -0.60 0.00 0.00 54.58 55.19 2dn5 n ASN 57 Cb 0.65 -0.90 0.46 0.00 -0.53 0.00 0.00 39.78 39.46 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 0.98 0.08 -2.54 1.20 -0.04 -1.26 -4.08 135.00 129.33 2dn5 n PRO 58 Ca 0.17 0.19 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 2dn5 n PRO 58 Cb 0.23 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.07 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 -1.76 5.37 0.00 3.54 5.15 -1.26 -3.71 115.26 122.59 2dn5 n ASN 59 Ca 0.05 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2dn5 n ASN 59 Cb 0.28 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 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 3.05 0.00 -0.20 -0.44 5.66 -1.26 -5.15 114.28 115.94 2dn5 n THR 60 Ca 0.36 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.29 2dn5 n THR 60 Cb 0.36 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.22 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 -1.86 -4.45 1.09 4.01 -1.24 -4.96 117.16 109.74 2dn5 n TYR 61 Ca 0.00 -0.09 -0.22 0.00 -0.16 0.00 0.00 57.90 57.44 2dn5 n TYR 61 Cb 0.00 -0.58 -0.10 0.00 -0.31 0.00 0.00 39.34 38.35 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 -1.86 2.30 0.02 7.72 1.01 -1.26 -4.87 116.67 119.73 2dn5 s ASP 62 Ca 0.17 -1.46 -0.03 0.00 0.71 0.00 0.00 52.55 51.94 2dn5 s ASP 62 Cb -0.03 0.13 -0.01 0.00 1.01 0.00 0.00 42.92 44.02 2dn5 s ASP 62 CO 0.15 -0.72 1.06 0.40 0.21 0.00 0.00 175.17 176.26 2dn5 h ILE 63 N 2.06 0.00 0.00 0.77 5.03 -1.97 0.91 117.51 124.32 2dn5 h ILE 63 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.35 2dn5 h ILE 63 Cb 1.25 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.04 2dn5 h ILE 63 CO 0.65 0.00 0.00 1.41 -0.68 0.00 0.00 178.15 179.53 2dn5 n HIS 64 N -3.22 0.00 -0.36 1.37 8.25 -1.26 0.14 115.22 120.15 2dn5 n HIS 64 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2dn5 n HIS 64 Cb 0.03 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.08 -1.05 -0.41 2.47 -1.81 2.01 114.38 115.51 2dn5 h ARG 65 Ca 0.00 0.01 0.28 0.00 -1.26 0.00 0.00 59.98 59.01 2dn5 h ARG 65 Cb 0.00 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 28.23 2dn5 h ARG 65 CO 0.00 -0.06 0.66 -0.07 0.56 0.00 0.00 179.97 181.06 2dn5 h LEU 66 N -0.09 0.50 -0.00 3.04 3.38 0.26 0.97 115.31 123.37 2dn5 h LEU 66 Ca 0.16 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2dn5 h LEU 66 Cb 0.46 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2dn5 h LEU 66 CO -0.87 0.05 -0.07 -0.33 0.09 0.00 0.00 178.44 177.31 2dn5 h GLU 67 N 0.41 0.05 0.35 1.13 4.39 1.08 -2.16 114.58 119.83 2dn5 h GLU 67 Ca 0.64 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.28 2dn5 h GLU 67 Cb 1.53 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.17 2dn5 h GLU 67 CO -0.38 0.83 -0.40 0.87 -1.16 0.00 0.00 179.01 178.77 2dn5 h LYS 68 N -0.71 -0.75 -0.71 2.33 1.57 0.50 1.35 116.57 120.14 2dn5 h LYS 68 Ca -0.01 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 2dn5 h LYS 68 Cb 0.86 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.25 2dn5 h LYS 68 CO 0.01 -0.50 0.27 0.82 -0.57 0.00 0.00 179.45 179.48 2dn5 h ILE 69 N -0.78 0.67 -0.31 1.86 2.04 0.71 0.59 117.51 122.29 2dn5 h ILE 69 Ca -0.02 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 2dn5 h ILE 69 Cb 0.71 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2dn5 h ILE 69 CO -0.09 0.08 -0.11 -0.07 0.00 0.00 0.00 178.15 177.96 2dn5 h LEU 70 N 0.42 0.50 -1.14 1.44 3.38 -0.65 0.25 115.31 119.52 2dn5 h LEU 70 Ca 0.38 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2dn5 h LEU 70 Cb 0.56 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dn5 h LEU 70 CO -0.39 0.65 -0.05 0.11 0.09 0.00 0.00 178.44 178.85 2dn5 h LYS 71 N 0.48 0.00 -0.22 1.13 1.57 0.62 -2.42 116.57 117.73 2dn5 h LYS 71 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2dn5 h LYS 71 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2dn5 h LYS 71 CO 0.03 0.05 -0.01 0.00 -0.57 0.00 0.00 179.45 178.94 2dn5 n ALA 72 N -2.12 3.04 -0.22 3.86 0.00 0.16 -4.63 120.51 120.60 2dn5 n ALA 72 Ca 0.01 -2.49 0.03 0.00 0.00 0.00 0.00 53.44 50.99 2dn5 n ALA 72 Cb 0.37 -0.65 0.28 0.00 0.00 0.00 0.00 19.45 19.44 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 1.36 0.91 0.00 0.00 0.11 -0.04 1.20 114.38 117.92 2dn5 h ARG 73 Ca 0.03 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2dn5 h ARG 73 Cb 1.39 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 32.25 2dn5 h ARG 73 CO 0.20 0.60 -0.45 0.93 0.10 0.00 0.00 179.97 181.35 2dn5 h GLU 74 N 0.94 0.00 0.17 0.08 4.39 -1.82 -3.23 114.58 115.11 2dn5 h GLU 74 Ca 0.30 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.73 2dn5 h GLU 74 Cb 0.03 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2dn5 h GLU 74 CO -0.09 0.45 -1.27 0.45 -1.16 0.00 0.00 179.01 177.40 2dn5 h HIS 75 N 0.00 0.64 -1.60 4.33 3.86 -1.32 -3.46 115.15 117.60 2dn5 h HIS 75 Ca -0.00 -0.46 -0.70 0.00 -1.16 0.00 0.00 60.37 58.04 2dn5 h HIS 75 Cb 1.15 -0.03 0.04 0.00 1.06 0.00 0.00 27.41 29.64 2dn5 h HIS 75 CO 0.00 1.49 0.56 0.28 0.86 0.00 0.00 177.93 181.12 2dn5 n VAL 76 N -3.91 0.09 -3.83 2.45 0.31 0.40 -4.16 118.33 109.68 2dn5 n VAL 76 Ca -0.19 -0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 63.99 2dn5 n VAL 76 Cb 0.94 -0.89 -0.14 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.35 0.03 -0.05 5.55 6.06 0.52 -4.91 118.95 127.51 2dn5 s ARG 77 Ca 0.89 0.11 0.02 0.00 -2.50 0.00 0.00 55.73 54.25 2dn5 s ARG 77 Cb -1.01 -0.05 -0.03 0.00 0.06 0.00 0.00 34.95 33.92 2dn5 s ARG 77 CO 0.53 -0.05 -0.10 -1.64 -2.50 0.00 0.00 175.30 171.54 2dn5 s MET 78 N 0.33 2.61 -0.09 5.12 -1.94 -1.26 -0.29 119.30 123.79 2dn5 s MET 78 Ca -0.03 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.31 2dn5 s MET 78 Cb -0.04 -2.49 0.03 0.00 2.01 0.00 0.00 34.83 34.34 2dn5 s MET 78 CO -0.01 0.64 -0.03 0.08 -0.01 0.00 0.00 175.02 175.69 2dn5 s VAL 79 N -0.80 0.65 -0.52 -6.03 1.01 0.14 -4.59 120.40 110.26 2dn5 s VAL 79 Ca 0.13 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.78 2dn5 s VAL 79 Cb -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 2dn5 s VAL 79 CO 0.02 0.30 1.76 -0.63 0.00 0.00 0.00 175.10 176.55 2dn5 s ILE 80 N 1.79 3.47 -0.03 2.22 -1.09 -1.26 0.19 121.20 126.50 2dn5 s ILE 80 Ca 0.04 0.37 -0.17 0.00 -2.23 0.00 0.00 60.65 58.66 2dn5 s ILE 80 Cb -0.13 -3.95 -0.10 0.00 -1.58 0.00 0.00 42.46 36.71 2dn5 s ILE 80 CO -0.06 -0.81 0.73 0.40 -1.23 0.00 0.00 174.94 173.97 2dn5 h ILE 81 N 6.77 0.04 -2.45 2.92 1.08 -1.65 -3.47 117.51 120.76 2dn5 h ILE 81 Ca -0.28 -0.57 -0.54 0.00 -0.39 0.00 0.00 64.86 63.08 2dn5 h ILE 81 Cb 1.15 0.07 -0.14 0.00 -3.07 0.00 0.00 36.82 34.83 2dn5 h ILE 81 CO 1.16 0.01 -0.72 0.21 -0.69 0.00 0.00 178.15 178.11 2dn5 s ASN 82 N -4.87 3.15 0.03 1.72 3.84 -0.44 -4.97 114.94 113.41 2dn5 s ASN 82 Ca -0.09 -1.08 -0.33 0.00 0.21 0.00 0.00 52.86 51.57 2dn5 s ASN 82 Cb 0.01 -0.23 -0.12 0.00 -0.55 0.00 0.00 41.25 40.36 2dn5 s ASN 82 CO 0.28 -0.13 1.81 1.67 -2.79 0.00 0.00 177.10 177.95 2dn5 n GLN 83 N -0.57 2.40 -4.33 0.43 7.27 -1.26 -4.69 117.38 116.64 2dn5 n GLN 83 Ca -0.06 0.88 -0.26 0.00 0.07 0.00 0.00 57.00 57.63 2dn5 n GLN 83 Cb 0.61 -2.73 -0.09 0.00 2.41 0.00 0.00 30.24 30.44 2dn5 n GLN 83 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2dn5 s SER 84 N 3.07 4.19 -0.06 1.69 0.15 -1.26 -5.03 113.70 116.45 2dn5 s SER 84 Ca 0.86 -1.13 0.02 0.00 0.70 0.00 0.00 55.95 56.41 2dn5 s SER 84 Cb -0.61 -0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2dn5 s SER 84 CO 0.44 -0.42 -0.12 -0.83 1.20 0.00 0.00 173.24 173.51 2dn5 s GLY 85 N -3.79 1.59 1.00 9.45 0.00 -1.26 -5.13 107.32 109.18 2dn5 s GLY 85 Ca 0.37 -0.94 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 2dn5 s GLY 85 CO 0.20 -0.71 1.10 -1.55 0.00 0.00 0.00 173.10 172.15 2dn5 n PRO 86 N 2.33 -2.05 -2.66 2.90 -0.04 -1.26 -4.93 135.00 129.29 2dn5 n PRO 86 Ca -0.17 -1.73 -0.03 0.00 -0.04 0.00 0.00 63.50 61.53 2dn5 n PRO 86 Cb 0.52 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.66 2dn5 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn5 s SER 87 N -4.81 -0.14 0.16 3.54 0.15 -1.26 -5.11 113.70 106.24 2dn5 s SER 87 Ca 0.66 -0.16 -0.11 0.00 0.70 0.00 0.00 55.95 57.05 2dn5 s SER 87 Cb -0.04 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2dn5 s SER 87 CO 0.49 -0.00 0.33 -0.55 1.20 0.00 0.00 173.24 174.70 2dn5 s SER 88 N 1.01 -0.02 0.00 5.45 0.15 -1.26 -4.83 113.70 114.20 2dn5 s SER 88 Ca 0.23 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2dn5 s SER 88 Cb 0.14 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dn5 s SER 88 CO -0.11 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.02