#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 2.58 0.51 1.61 0.15 -1.26 -5.06 113.70 112.23 2dn5 s SER 2 Ca 0.00 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2dn5 s SER 2 Cb 0.00 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2dn5 s SER 2 CO 0.00 -0.27 0.00 -0.24 1.20 0.00 0.00 173.24 173.93 2dn5 n SER 3 N 5.06 -7.86 0.00 5.45 2.88 -1.26 -5.07 113.62 112.83 2dn5 n SER 3 Ca -0.09 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 2dn5 n SER 3 Cb 0.48 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 2dn5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn5 n GLY 4 N -1.69 -2.41 3.52 0.46 0.00 -1.26 -5.15 105.19 98.66 2dn5 n GLY 4 Ca 0.00 0.81 -0.28 0.00 0.00 0.00 0.00 46.02 46.54 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 1.20 -0.46 1.61 0.01 -1.26 -4.78 113.70 106.02 2dn5 s SER 5 Ca 0.00 1.49 -0.28 0.00 1.31 0.00 0.00 55.95 58.47 2dn5 s SER 5 Cb 0.00 -2.25 -0.08 0.00 0.21 0.00 0.00 66.02 63.90 2dn5 s SER 5 CO 0.00 -4.06 2.38 -1.20 0.41 0.00 0.00 173.24 170.77 2dn5 n SER 6 N -4.82 2.35 -0.03 2.44 7.64 -1.26 -4.81 113.62 115.12 2dn5 n SER 6 Ca 0.03 -0.23 -0.00 0.00 1.01 0.00 0.00 58.87 59.68 2dn5 n SER 6 Cb 0.55 -1.50 -0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 17.49 0.00 -0.88 0.23 0.00 -2.00 -3.26 103.07 114.65 2dn5 h GLY 7 Ca -0.26 0.00 0.30 0.00 0.00 0.00 0.00 47.33 47.37 2dn5 h GLY 7 CO 1.12 0.00 0.20 1.41 0.00 0.00 0.00 176.54 179.27 2dn5 h LEU 8 N -0.66 -0.19 -0.24 3.11 3.38 -1.98 0.77 115.31 119.51 2dn5 h LEU 8 Ca 0.00 0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.29 2dn5 h LEU 8 Cb 0.04 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2dn5 h LEU 8 CO 0.00 -0.34 -0.29 -0.09 0.09 0.00 0.00 178.44 177.81 2dn5 h ARG 9 N 0.05 -0.29 -0.55 1.13 2.43 -1.90 0.72 114.38 115.97 2dn5 h ARG 9 Ca 0.65 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.79 2dn5 h ARG 9 Cb 1.47 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 2dn5 h ARG 9 CO -0.84 -0.19 0.12 0.93 -1.51 0.00 0.00 179.97 178.48 2dn5 h GLU 10 N -0.30 0.89 -0.61 0.20 5.08 0.31 0.15 114.58 120.30 2dn5 h GLU 10 Ca 0.13 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2dn5 h GLU 10 Cb 0.51 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2dn5 h GLU 10 CO -0.41 0.84 0.33 1.96 -1.00 0.00 0.00 179.01 180.73 2dn5 h GLN 11 N 0.78 0.60 -0.23 2.33 4.20 0.64 0.34 115.11 123.77 2dn5 h GLN 11 Ca 0.17 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 2dn5 h GLN 11 Cb 0.37 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2dn5 h GLN 11 CO 0.01 0.40 -0.18 0.28 -0.67 0.00 0.00 178.83 178.66 2dn5 h VAL 12 N 0.62 1.32 -0.50 -0.54 2.07 0.67 -1.38 116.25 118.50 2dn5 h VAL 12 Ca 0.27 -1.32 0.10 0.00 0.82 0.00 0.00 66.70 66.57 2dn5 h VAL 12 Cb 0.17 1.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 2dn5 h VAL 12 CO -0.18 0.41 -0.11 0.11 0.02 0.00 0.00 177.57 177.82 2dn5 h LYS 13 N 0.22 0.01 -0.35 1.57 1.57 -0.05 0.27 116.57 119.81 2dn5 h LYS 13 Ca 0.04 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2dn5 h LYS 13 Cb 0.72 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2dn5 h LYS 13 CO 0.05 0.01 -0.07 0.93 -0.57 0.00 0.00 179.45 179.79 2dn5 h GLU 14 N 0.01 0.58 0.31 3.15 5.08 -0.88 -1.56 114.58 121.26 2dn5 h GLU 14 Ca 0.24 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2dn5 h GLU 14 Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2dn5 h GLU 14 CO -0.51 0.65 -0.24 1.25 -1.00 0.00 0.00 179.01 179.17 2dn5 h LEU 15 N 0.54 -0.63 -0.87 1.33 5.85 0.60 1.48 115.31 123.60 2dn5 h LEU 15 Ca 0.10 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.01 2dn5 h LEU 15 Cb 0.45 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 2dn5 h LEU 15 CO 0.02 -0.34 0.47 -0.26 -0.34 0.00 0.00 178.44 177.99 2dn5 h PHE 16 N -0.53 0.82 -0.60 1.25 0.04 -0.98 0.21 116.94 117.14 2dn5 h PHE 16 Ca -0.04 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 2dn5 h PHE 16 Cb 0.44 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2dn5 h PHE 16 CO -0.07 0.22 0.07 -0.91 -0.60 0.00 0.00 178.31 177.01 2dn5 h ASN 17 N 0.67 0.95 -0.37 2.17 4.21 -0.97 -1.25 115.58 121.00 2dn5 h ASN 17 Ca 0.47 -0.23 -0.02 0.00 1.21 0.00 0.00 56.30 57.74 2dn5 h ASN 17 Cb 0.64 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.57 2dn5 h ASN 17 CO -0.35 0.97 0.16 -0.33 -1.29 0.00 0.00 177.43 176.59 2dn5 h GLU 18 N 0.93 0.54 0.32 0.81 4.39 0.49 -0.02 114.58 122.04 2dn5 h GLU 18 Ca 0.18 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2dn5 h GLU 18 Cb 0.44 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2dn5 h GLU 18 CO 0.01 0.50 -0.19 0.87 -1.16 0.00 0.00 179.01 179.04 2dn5 h LYS 19 N 0.45 -0.48 -0.54 2.33 1.79 -0.53 -2.10 116.57 117.49 2dn5 h LYS 19 Ca 0.12 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.73 2dn5 h LYS 19 Cb 0.15 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 30.80 2dn5 h LYS 19 CO -0.01 -0.32 -0.25 -0.92 -1.08 0.00 0.00 179.45 176.87 2dn5 h TYR 20 N -0.50 -0.63 -0.19 -1.35 3.20 -1.10 0.39 116.97 116.80 2dn5 h TYR 20 Ca -0.03 0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2dn5 h TYR 20 Cb 0.41 0.36 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 2dn5 h TYR 20 CO -0.09 -0.33 -0.32 0.78 -1.64 0.00 0.00 178.16 176.57 2dn5 h GLY 21 N -0.11 -0.39 0.81 1.82 0.00 -1.06 0.95 103.07 105.10 2dn5 h GLY 21 Ca 0.24 0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.99 2dn5 h GLY 21 CO -0.61 -0.21 0.18 0.83 0.00 0.00 0.00 176.54 176.72 2dn5 h GLU 22 N -0.36 0.36 -0.22 4.80 5.08 -0.55 0.03 114.58 123.72 2dn5 h GLU 22 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2dn5 h GLU 22 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dn5 h GLU 22 CO -0.39 0.24 0.08 0.00 -1.00 0.00 0.00 179.01 177.94 2dn5 h ALA 23 N 1.20 1.74 0.00 3.43 0.00 0.66 0.37 119.26 126.66 2dn5 h ALA 23 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dn5 h ALA 23 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dn5 h ALA 23 CO -0.11 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.63 2dn5 n LEU 24 N -4.44 0.00 -0.27 0.00 4.77 0.32 -4.65 117.00 112.74 2dn5 n LEU 24 Ca 0.00 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 2dn5 n LEU 24 Cb 0.12 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2dn5 n LEU 24 CO 0.36 -0.09 -0.03 0.61 -1.33 0.00 0.00 177.39 176.90 2dn5 n GLY 25 N 0.51 0.64 1.96 -0.72 0.00 0.13 -5.03 105.19 102.68 2dn5 n GLY 25 Ca 0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.39 0.00 -0.25 0.99 4.77 -0.16 -5.00 117.00 116.95 2dn5 n LEU 26 Ca -0.03 -1.22 0.08 0.00 -0.03 0.00 0.00 56.01 54.80 2dn5 n LEU 26 Cb 0.12 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.10 2dn5 n LEU 26 CO 0.05 -0.63 0.48 -3.20 -1.33 0.00 0.00 177.39 172.76 2dn5 n ASN 27 N -2.72 1.88 -3.92 -1.43 2.85 -1.26 -4.33 115.26 106.34 2dn5 n ASN 27 Ca 0.08 -3.02 -0.10 0.00 -0.11 0.00 0.00 54.58 51.44 2dn5 n ASN 27 Cb 0.30 -0.41 -0.09 0.00 1.24 0.00 0.00 39.78 40.82 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 -2.44 0.57 0.21 1.20 1.70 -1.26 -5.06 118.95 113.86 2dn5 s ARG 28 Ca 0.28 -0.70 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 2dn5 s ARG 28 Cb 0.26 0.22 -0.08 0.00 -0.57 0.00 0.00 34.95 34.78 2dn5 s ARG 28 CO 0.01 -0.14 1.11 -1.25 -1.08 0.00 0.00 175.30 173.94 2dn5 s PRO 29 N -2.40 4.60 0.01 3.89 0.04 -1.26 -4.13 135.00 135.75 2dn5 s PRO 29 Ca -0.07 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2dn5 s PRO 29 Cb -0.02 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2dn5 s PRO 29 CO -0.04 0.10 -0.14 0.08 0.04 0.00 0.00 177.00 177.04 2dn5 s VAL 30 N -0.49 1.12 0.64 -0.36 1.01 -0.11 -4.90 120.40 117.31 2dn5 s VAL 30 Ca 0.48 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2dn5 s VAL 30 Cb -0.30 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2dn5 s VAL 30 CO 0.37 0.22 1.30 -0.76 0.00 0.00 0.00 175.10 176.23 2dn5 s LEU 31 N -0.59 3.59 -0.27 3.92 1.43 -1.26 -4.14 118.68 121.37 2dn5 s LEU 31 Ca 0.04 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 2dn5 s LEU 31 Cb -0.06 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 2dn5 s LEU 31 CO 0.00 -1.99 0.17 -0.69 0.23 0.00 0.00 176.35 174.07 2dn5 s VAL 32 N -1.38 5.24 -1.12 -1.59 1.01 -1.26 -4.93 120.40 116.38 2dn5 s VAL 32 Ca 0.82 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 2dn5 s VAL 32 Cb -0.38 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 2dn5 s VAL 32 CO 0.41 0.28 2.14 -0.81 0.00 0.00 0.00 175.10 177.12 2dn5 n PRO 33 N 4.85 2.25 -0.20 2.72 -0.04 -1.26 -4.70 135.00 138.63 2dn5 n PRO 33 Ca -0.14 -2.13 0.01 0.00 -0.04 0.00 0.00 63.50 61.19 2dn5 n PRO 33 Cb 0.52 -3.01 0.11 0.00 -0.04 0.00 0.00 33.50 31.07 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 6.78 0.20 -0.81 0.54 0.05 -1.97 0.73 116.97 122.50 2dn5 h TYR 34 Ca 0.52 0.04 0.20 0.00 0.05 0.00 0.00 58.73 59.53 2dn5 h TYR 34 Cb 0.58 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.19 2dn5 h TYR 34 CO 1.44 -0.03 0.13 0.87 -1.05 0.00 0.00 178.16 179.52 2dn5 h LYS 35 N 0.26 0.17 0.09 4.88 6.56 -1.99 1.47 116.57 128.01 2dn5 h LYS 35 Ca 0.31 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.89 2dn5 h LYS 35 Cb 0.46 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2dn5 h LYS 35 CO -0.40 0.11 -0.04 -0.07 -2.06 0.00 0.00 179.45 176.99 2dn5 h LEU 36 N 0.17 -0.10 -1.45 2.94 3.38 -1.40 -2.79 115.31 116.06 2dn5 h LEU 36 Ca 0.48 0.00 0.49 0.00 0.09 0.00 0.00 57.88 58.94 2dn5 h LEU 36 Cb 0.89 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2dn5 h LEU 36 CO -0.64 -0.03 0.94 0.40 0.09 0.00 0.00 178.44 179.20 2dn5 h ILE 37 N -0.22 0.01 0.44 1.22 2.04 -0.51 1.70 117.51 122.19 2dn5 h ILE 37 Ca -0.01 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dn5 h ILE 37 Cb 0.09 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2dn5 h ILE 37 CO 0.02 0.00 -0.24 -0.09 0.00 0.00 0.00 178.15 177.84 2dn5 h ARG 38 N 0.01 -0.62 -0.02 2.37 9.65 0.21 -2.71 114.38 123.27 2dn5 h ARG 38 Ca 0.89 0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 59.64 2dn5 h ARG 38 Cb 2.93 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 31.63 2dn5 h ARG 38 CO -0.42 -0.41 -0.75 0.22 2.80 0.00 0.00 179.97 181.41 2dn5 h ASP 39 N -0.64 0.17 -3.86 -3.80 3.58 0.13 -3.38 116.42 108.63 2dn5 h ASP 39 Ca -0.06 -0.12 -0.69 0.00 0.42 0.00 0.00 57.03 56.59 2dn5 h ASP 39 Cb 0.51 -0.05 -0.36 0.00 1.72 0.00 0.00 39.33 41.15 2dn5 h ASP 39 CO 0.08 0.85 -0.49 -0.55 -2.88 0.00 0.00 179.24 176.25 2dn5 s SER 40 N -6.88 5.13 0.15 2.28 0.15 0.49 -4.91 113.70 110.12 2dn5 s SER 40 Ca -0.02 -2.48 0.24 0.00 0.70 0.00 0.00 55.95 54.38 2dn5 s SER 40 Cb 0.11 -1.81 0.91 0.00 -1.71 0.00 0.00 66.02 63.52 2dn5 s SER 40 CO 0.80 -0.43 1.73 -0.81 1.20 0.00 0.00 173.24 175.73 2dn5 n PRO 41 N 3.96 0.15 -1.91 5.44 -0.04 -1.05 -3.13 135.00 138.41 2dn5 n PRO 41 Ca 0.03 0.25 -0.35 0.00 -0.04 0.00 0.00 63.50 63.40 2dn5 n PRO 41 Cb 0.39 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 32.17 2dn5 n PRO 41 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dn5 n ASP 42 N -1.98 6.72 -0.01 3.54 5.75 -1.26 -4.45 116.55 124.86 2dn5 n ASP 42 Ca 0.04 -3.79 -0.03 0.00 -0.01 0.00 0.00 54.79 51.00 2dn5 n ASP 42 Cb 0.30 -0.85 -0.01 0.00 -1.03 0.00 0.00 41.12 39.54 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 -0.63 2.81 -2.93 2.12 0.00 -1.19 -3.77 120.51 116.92 2dn5 n ALA 43 Ca 0.52 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 2dn5 n ALA 43 Cb 0.49 0.43 -0.13 0.00 0.00 0.00 0.00 19.45 20.24 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 -2.06 0.01 -0.17 0.00 1.01 -1.26 -1.60 120.40 116.32 2dn5 s VAL 44 Ca -0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.80 2dn5 s VAL 44 Cb 0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 2dn5 s VAL 44 CO 0.05 -0.03 0.11 -0.70 0.00 0.00 0.00 175.10 174.54 2dn5 s GLU 45 N -0.06 3.91 -0.12 2.72 -6.30 0.50 -4.82 118.70 114.52 2dn5 s GLU 45 Ca -0.01 -0.23 0.03 0.00 -2.50 0.00 0.00 54.97 52.27 2dn5 s GLU 45 Cb -0.01 -3.30 0.01 0.00 0.00 0.00 0.00 34.13 30.83 2dn5 s GLU 45 CO 0.00 0.44 -0.22 0.08 0.02 0.00 0.00 175.26 175.58 2dn5 s VAL 46 N -0.06 2.01 0.20 3.70 1.01 -1.26 0.29 120.40 126.30 2dn5 s VAL 46 Ca 0.09 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 2dn5 s VAL 46 Cb -0.12 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2dn5 s VAL 46 CO 0.00 0.54 0.27 0.42 0.00 0.00 0.00 175.10 176.34 2dn5 s THR 47 N 0.60 0.02 0.00 3.92 -4.23 0.27 -4.88 115.64 111.34 2dn5 s THR 47 Ca -0.13 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2dn5 s THR 47 Cb -0.17 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2dn5 s THR 47 CO 0.03 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 2dn5 n GLY 48 N -0.28 3.28 3.26 3.99 0.00 -1.26 0.19 105.19 114.38 2dn5 n GLY 48 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.16 -4.79 0.99 4.77 -1.26 -3.98 117.00 110.57 2dn5 n LEU 49 Ca 0.00 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.76 2dn5 n LEU 49 Cb 0.00 -0.98 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 2dn5 n LEU 49 CO 0.00 -3.81 0.73 -2.16 -1.33 0.00 0.00 177.39 170.82 2dn5 s PRO 50 N -3.12 4.05 0.50 3.23 0.04 -1.26 -4.98 135.00 133.45 2dn5 s PRO 50 Ca 0.51 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.80 2dn5 s PRO 50 Cb -0.15 -2.41 -0.06 0.00 0.04 0.00 0.00 34.50 31.92 2dn5 s PRO 50 CO 0.70 -0.24 1.36 0.16 0.04 0.00 0.00 177.00 179.01 2dn5 s ASP 51 N -1.68 5.63 -0.79 6.66 1.47 -1.26 -2.46 116.67 124.24 2dn5 s ASP 51 Ca 0.61 2.76 -0.01 0.00 1.18 0.00 0.00 52.55 57.08 2dn5 s ASP 51 Cb -0.21 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.74 2dn5 s ASP 51 CO 0.25 -1.33 0.19 -0.67 0.68 0.00 0.00 175.17 174.29 2dn5 n ASP 52 N -0.62 -3.61 -3.61 2.11 2.03 -1.26 -5.01 116.55 106.58 2dn5 n ASP 52 Ca 0.08 -0.09 -0.08 0.00 0.52 0.00 0.00 54.79 55.22 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 -2.71 -0.65 0.00 5.18 1.01 -1.03 -5.09 121.20 117.90 2dn5 s ILE 53 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.88 2dn5 s ILE 53 Cb -0.04 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2dn5 s ILE 53 CO 0.11 0.05 0.00 -0.81 0.00 0.00 0.00 174.94 174.29 2dn5 n PRO 54 N 5.39 0.47 -3.80 2.79 -0.04 -1.26 -4.62 135.00 133.92 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 -0.36 2.32 0.34 0.54 5.36 -1.26 -4.95 117.98 119.98 2dn5 s PHE 55 Ca 0.00 -2.29 0.05 0.00 -0.96 0.00 0.00 56.93 53.73 2dn5 s PHE 55 Cb 0.00 -2.10 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 2dn5 s PHE 55 CO 0.00 -0.86 0.34 1.03 -1.46 0.00 0.00 175.22 174.27 2dn5 s ARG 56 N 0.99 1.85 0.02 10.12 1.81 -1.26 -5.04 118.95 127.44 2dn5 s ARG 56 Ca 0.13 -1.99 -0.38 0.00 -1.72 0.00 0.00 55.73 51.77 2dn5 s ARG 56 Cb -0.20 0.36 -0.19 0.00 -0.45 0.00 0.00 34.95 34.47 2dn5 s ARG 56 CO -0.13 -0.71 0.99 -1.71 -0.68 0.00 0.00 175.30 173.06 2dn5 n ASN 57 N -1.62 -0.15 0.23 0.23 2.85 -1.26 -4.80 115.26 110.73 2dn5 n ASN 57 Ca 0.06 1.13 0.14 0.00 -0.11 0.00 0.00 54.58 55.81 2dn5 n ASN 57 Cb 0.62 -0.91 0.44 0.00 1.24 0.00 0.00 39.78 41.17 2dn5 n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2dn5 h PRO 58 N 2.71 0.00 -3.54 1.20 0.13 -1.94 -3.36 132.00 127.20 2dn5 h PRO 58 Ca -0.47 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.91 2dn5 h PRO 58 Cb 1.40 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.40 2dn5 h PRO 58 CO 0.63 0.00 2.22 0.27 -0.23 0.00 0.00 178.00 180.88 2dn5 n ASN 59 N -2.95 4.99 0.00 1.44 0.23 -1.26 -3.51 115.26 114.19 2dn5 n ASN 59 Ca 0.02 -3.07 0.00 0.00 -0.53 0.00 0.00 54.58 51.00 2dn5 n ASN 59 Cb 0.40 -1.50 0.00 0.00 -2.08 0.00 0.00 39.78 36.60 2dn5 n ASN 59 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2dn5 n THR 60 N 3.54 0.00 -0.74 5.53 5.66 -1.26 -5.15 114.28 121.86 2dn5 n THR 60 Ca 0.42 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 61.16 2dn5 n THR 60 Cb 0.36 0.00 0.10 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 -1.61 -3.83 1.09 4.01 -1.23 -5.00 117.16 110.59 2dn5 n TYR 61 Ca 0.00 0.33 -0.22 0.00 -0.16 0.00 0.00 57.90 57.85 2dn5 n TYR 61 Cb 0.00 -1.43 -0.04 0.00 -0.31 0.00 0.00 39.34 37.55 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 -1.51 4.99 0.00 7.72 1.11 -1.26 -4.85 116.67 122.87 2dn5 s ASP 62 Ca 0.37 -0.69 0.00 0.00 0.18 0.00 0.00 52.55 52.41 2dn5 s ASP 62 Cb -0.02 -0.74 0.00 0.00 1.07 0.00 0.00 42.92 43.23 2dn5 s ASP 62 CO 0.49 -0.45 0.94 -0.38 1.18 0.00 0.00 175.17 176.94 2dn5 n ILE 63 N -1.36 0.00 0.00 0.77 -0.00 -1.26 0.17 119.36 117.68 2dn5 n ILE 63 Ca -0.00 1.42 0.00 0.00 -0.00 0.00 0.00 62.75 64.17 2dn5 n ILE 63 Cb 0.61 -1.91 0.00 0.00 -0.00 0.00 0.00 39.64 38.34 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 -2.84 0.00 -0.33 1.39 8.25 -1.26 0.12 115.22 120.56 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 -0.35 -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 -0.11 -0.74 -0.41 3.08 -1.79 1.71 114.38 116.13 2dn5 h ARG 65 Ca 0.00 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.22 2dn5 h ARG 65 Cb 0.00 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 29.94 2dn5 h ARG 65 CO 0.00 -0.07 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.70 2dn5 h LEU 66 N -0.12 -0.45 0.25 3.04 3.38 0.35 0.53 115.31 122.29 2dn5 h LEU 66 Ca 0.17 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2dn5 h LEU 66 Cb 0.49 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2dn5 h LEU 66 CO -0.84 -0.20 -0.12 -0.33 0.09 0.00 0.00 178.44 177.04 2dn5 h GLU 67 N 0.07 -0.32 -0.52 1.13 5.08 0.62 -2.02 114.58 118.61 2dn5 h GLU 67 Ca 0.39 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 2dn5 h GLU 67 Cb 0.66 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.88 2dn5 h GLU 67 CO -0.68 -0.01 -0.39 0.87 -1.00 0.00 0.00 179.01 177.79 2dn5 h LYS 68 N -0.64 -0.22 -0.75 2.33 1.57 0.38 0.87 116.57 120.12 2dn5 h LYS 68 Ca -0.03 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 2dn5 h LYS 68 Cb 0.45 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.72 2dn5 h LYS 68 CO 0.06 -0.15 0.30 0.82 -0.57 0.00 0.00 179.45 179.91 2dn5 h ILE 69 N -0.23 0.67 -0.72 1.86 2.04 -0.01 0.40 117.51 121.52 2dn5 h ILE 69 Ca 0.19 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2dn5 h ILE 69 Cb 0.56 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2dn5 h ILE 69 CO -0.64 0.08 0.32 -0.07 0.00 0.00 0.00 178.15 177.84 2dn5 h LEU 70 N 0.45 0.94 -1.19 1.44 3.38 0.63 0.83 115.31 121.79 2dn5 h LEU 70 Ca 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2dn5 h LEU 70 Cb 0.61 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dn5 h LEU 70 CO -0.39 0.82 0.00 0.11 0.09 0.00 0.00 178.44 179.07 2dn5 h LYS 71 N 1.02 0.00 -0.29 1.13 1.57 0.45 -2.19 116.57 118.27 2dn5 h LYS 71 Ca 0.25 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.84 2dn5 h LYS 71 Cb 0.14 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.32 2dn5 h LYS 71 CO -0.03 0.00 -0.43 0.00 -0.57 0.00 0.00 179.45 178.42 2dn5 n ALA 72 N -1.95 4.22 0.06 3.86 0.00 0.54 -4.68 120.51 122.57 2dn5 n ALA 72 Ca 0.01 -3.39 -0.05 0.00 0.00 0.00 0.00 53.44 50.01 2dn5 n ALA 72 Cb 0.26 -0.48 0.14 0.00 0.00 0.00 0.00 19.45 19.36 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 1.29 0.33 0.00 0.00 0.11 -0.39 0.29 114.38 116.02 2dn5 h ARG 73 Ca 0.16 -0.19 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 2dn5 h ARG 73 Cb 1.28 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2dn5 h ARG 73 CO 0.32 0.77 -0.52 0.93 0.10 0.00 0.00 179.97 181.56 2dn5 h GLU 74 N 0.26 0.00 0.10 0.08 4.39 -1.83 -3.29 114.58 114.29 2dn5 h GLU 74 Ca 0.01 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.40 2dn5 h GLU 74 Cb 1.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2dn5 h GLU 74 CO 0.09 0.13 -1.57 0.45 -1.16 0.00 0.00 179.01 176.94 2dn5 h HIS 75 N 0.00 0.39 -2.20 4.33 3.86 -1.79 -3.46 115.15 116.28 2dn5 h HIS 75 Ca -0.02 -0.29 -0.59 0.00 -1.16 0.00 0.00 60.37 58.31 2dn5 h HIS 75 Cb 1.14 -0.02 0.06 0.00 1.06 0.00 0.00 27.41 29.65 2dn5 h HIS 75 CO 0.00 1.36 0.76 0.28 0.86 0.00 0.00 177.93 181.19 2dn5 n VAL 76 N -3.41 0.00 -3.75 2.45 0.31 0.10 -4.00 118.33 110.03 2dn5 n VAL 76 Ca -0.17 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 2dn5 n VAL 76 Cb 1.04 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 32.37 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 0.86 0.08 -0.03 5.55 3.52 0.51 -4.91 118.95 124.54 2dn5 s ARG 77 Ca 0.79 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 56.74 2dn5 s ARG 77 Cb -0.71 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 2dn5 s ARG 77 CO 0.39 -0.16 0.03 -1.64 -0.81 0.00 0.00 175.30 173.10 2dn5 s MET 78 N 1.15 2.94 -0.07 5.12 -1.94 -1.26 -0.57 119.30 124.67 2dn5 s MET 78 Ca -0.09 -0.50 -0.02 0.00 -1.71 0.00 0.00 55.69 53.37 2dn5 s MET 78 Cb -0.11 -2.78 0.03 0.00 2.01 0.00 0.00 34.83 33.98 2dn5 s MET 78 CO -0.06 0.66 0.02 0.08 -0.01 0.00 0.00 175.02 175.71 2dn5 s VAL 79 N -1.06 0.26 -0.38 -6.03 1.01 0.14 -4.64 120.40 109.71 2dn5 s VAL 79 Ca 0.19 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 2dn5 s VAL 79 Cb -0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2dn5 s VAL 79 CO 0.09 0.22 1.68 -0.63 0.00 0.00 0.00 175.10 176.46 2dn5 s ILE 80 N 2.02 3.60 -0.06 2.22 -1.09 -1.26 0.19 121.20 126.81 2dn5 s ILE 80 Ca 0.05 0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 58.98 2dn5 s ILE 80 Cb -0.12 -3.85 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2dn5 s ILE 80 CO -0.05 -0.57 0.35 0.40 -1.23 0.00 0.00 174.94 173.83 2dn5 h ILE 81 N 6.70 0.00 -3.51 2.92 1.08 -1.64 -3.45 117.51 119.61 2dn5 h ILE 81 Ca -0.31 -0.68 -0.67 0.00 -0.39 0.00 0.00 64.86 62.81 2dn5 h ILE 81 Cb 1.15 0.00 -0.26 0.00 -3.07 0.00 0.00 36.82 34.63 2dn5 h ILE 81 CO 1.07 0.00 -0.77 0.21 -0.69 0.00 0.00 178.15 177.96 2dn5 s ASN 82 N -4.92 3.95 0.04 1.72 3.84 -0.63 -4.98 114.94 113.96 2dn5 s ASN 82 Ca -0.04 -0.31 -0.36 0.00 0.21 0.00 0.00 52.86 52.36 2dn5 s ASN 82 Cb 0.00 -1.40 -0.15 0.00 -0.55 0.00 0.00 41.25 39.15 2dn5 s ASN 82 CO 0.12 0.21 1.53 0.00 -2.79 0.00 0.00 177.10 176.17 2dn5 n GLN 83 N 3.22 1.58 -3.79 0.43 6.02 -1.26 -4.75 117.38 118.83 2dn5 n GLN 83 Ca -0.18 0.57 -0.09 0.00 -0.01 0.00 0.00 57.00 57.29 2dn5 n GLN 83 Cb 0.53 -2.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.47 2dn5 n GLN 83 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2dn5 s SER 84 N 1.43 -0.25 0.06 1.08 0.01 -1.26 -5.12 113.70 109.64 2dn5 s SER 84 Ca 0.85 -0.56 0.06 0.00 1.31 0.00 0.00 55.95 57.62 2dn5 s SER 84 Cb -0.85 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 2dn5 s SER 84 CO 0.47 -1.14 -0.16 -0.83 0.41 0.00 0.00 173.24 171.99 2dn5 s GLY 85 N -2.90 0.92 0.61 3.44 0.00 -1.26 -5.15 107.32 102.97 2dn5 s GLY 85 Ca 0.11 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 2dn5 s GLY 85 CO 0.01 -0.94 0.67 -1.55 0.00 0.00 0.00 173.10 171.29 2dn5 n PRO 86 N 1.64 -1.45 -3.27 2.90 -0.04 -1.26 -5.07 135.00 128.44 2dn5 n PRO 86 Ca -0.19 -1.05 -0.14 0.00 -0.04 0.00 0.00 63.50 62.08 2dn5 n PRO 86 Cb 0.54 -0.83 -0.06 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.41 0.49 0.44 3.54 0.15 -1.26 -5.14 113.70 108.51 2dn5 s SER 87 Ca 0.40 -1.67 -0.21 0.00 0.70 0.00 0.00 55.95 55.17 2dn5 s SER 87 Cb -0.02 0.81 -0.10 0.00 -1.71 0.00 0.00 66.02 64.99 2dn5 s SER 87 CO 0.30 -0.21 0.97 -0.44 1.20 0.00 0.00 173.24 175.06 2dn5 s SER 88 N 1.25 6.83 0.00 5.45 0.01 -1.26 -5.11 113.70 120.87 2dn5 s SER 88 Ca 0.20 1.74 0.21 0.00 1.31 0.00 0.00 55.95 59.41 2dn5 s SER 88 Cb -0.10 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.75 2dn5 s SER 88 CO -0.05 -0.44 1.16 0.61 0.41 0.00 0.00 173.24 174.93