#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du3 s SER 22 N 0.00 2.56 0.11 6.43 0.01 -1.26 -0.48 113.70 121.07 1du3 s SER 22 Ca 0.00 -1.03 -0.11 0.00 1.31 0.00 0.00 55.95 56.12 1du3 s SER 22 Cb 0.00 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 1du3 s SER 22 CO 0.00 -0.19 0.46 -2.16 0.41 0.00 0.00 173.24 171.76 1du3 s PRO 23 N -3.65 3.83 -0.47 12.44 0.04 -1.26 -4.78 135.00 141.15 1du3 s PRO 23 Ca 0.23 0.27 -0.22 0.00 0.04 0.00 0.00 61.00 61.32 1du3 s PRO 23 Cb -0.00 -2.95 0.03 0.00 0.04 0.00 0.00 34.50 31.62 1du3 s PRO 23 CO 0.07 0.52 0.74 0.45 0.04 0.00 0.00 177.00 178.82 1du3 s SER 24 N -1.81 6.34 -1.27 6.66 0.15 0.55 -4.50 113.70 119.83 1du3 s SER 24 Ca 0.36 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.61 1du3 s SER 24 Cb -0.14 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.81 1du3 s SER 24 CO 0.19 -0.92 0.68 -0.62 1.20 0.00 0.00 173.24 173.77 1du3 n GLU 25 N 6.61 -3.57 -0.94 5.44 -0.58 -1.26 -2.27 120.64 124.07 1du3 n GLU 25 Ca -0.00 0.56 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 1du3 n GLU 25 Cb 0.48 -4.86 0.00 0.00 -0.57 0.00 0.00 31.44 26.49 1du3 n GLU 25 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1du3 n GLY 26 N -1.66 0.53 2.99 0.62 0.00 -1.26 -5.04 105.19 101.37 1du3 n GLY 26 Ca -0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1du3 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1du3 s LEU 27 N 0.00 2.24 -0.05 0.99 1.02 -0.96 -4.64 118.68 117.28 1du3 s LEU 27 Ca 0.00 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.67 1du3 s LEU 27 Cb 0.00 0.06 -0.03 0.00 0.02 0.00 0.00 46.19 46.24 1du3 s LEU 27 CO 0.00 -0.28 -0.09 0.00 0.02 0.00 0.00 176.35 176.00 1du3 n PRO 29 N 2.16 0.69 -0.93 0.00 -0.04 -1.26 -1.25 135.00 134.37 1du3 n PRO 29 Ca -0.17 0.30 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 1du3 n PRO 29 Cb 0.53 -2.45 0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1du3 n PRO 29 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1du3 n PRO 30 N -2.38 -0.10 -0.99 0.54 -0.02 -1.26 -2.20 135.00 128.58 1du3 n PRO 30 Ca 0.15 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1du3 n PRO 30 Cb 0.49 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1du3 n PRO 30 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1du3 n GLY 31 N 2.83 0.48 3.41 -1.23 0.00 0.20 -4.97 105.19 105.91 1du3 n GLY 31 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1du3 n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1du3 s HIS 32 N -2.05 0.77 0.06 1.61 3.76 -0.94 -1.67 115.29 116.84 1du3 s HIS 32 Ca 0.00 -1.06 -0.04 0.00 -0.15 0.00 0.00 55.06 53.81 1du3 s HIS 32 Cb 0.00 -0.17 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 1du3 s HIS 32 CO 0.00 -0.85 0.05 -3.38 -0.85 0.00 0.00 174.74 169.71 1du3 s HIS 33 N -4.01 0.37 0.89 1.40 -3.43 -0.67 -4.79 115.29 105.05 1du3 s HIS 33 Ca 0.30 -0.86 -0.13 0.00 -0.80 0.00 0.00 55.06 53.57 1du3 s HIS 33 Cb 0.03 -0.26 0.13 0.00 -1.43 0.00 0.00 32.58 31.05 1du3 s HIS 33 CO 0.11 -0.43 1.20 -1.50 -2.00 0.00 0.00 174.74 172.12 1du3 s ILE 34 N -3.74 1.98 0.31 -5.38 2.07 0.52 -2.19 121.20 114.77 1du3 s ILE 34 Ca 0.05 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.37 1du3 s ILE 34 Cb 0.06 -2.90 -0.04 0.00 0.13 0.00 0.00 42.46 39.71 1du3 s ILE 34 CO -0.10 0.00 0.18 -0.94 -1.91 0.00 0.00 174.94 172.17 1du3 s SER 35 N -4.46 5.04 0.18 4.50 1.04 -0.88 -4.50 113.70 114.63 1du3 s SER 35 Ca 0.66 -0.55 -0.16 0.00 0.48 0.00 0.00 55.95 56.38 1du3 s SER 35 Cb -0.10 -0.98 0.14 0.00 0.10 0.00 0.00 66.02 65.18 1du3 s SER 35 CO 0.51 -0.21 1.65 -0.08 0.98 0.00 0.00 173.24 176.09 1du3 h GLU 36 N 1.49 -0.02 0.00 4.02 4.57 -1.94 0.42 114.58 123.12 1du3 h GLU 36 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1du3 h GLU 36 Cb 1.25 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1du3 h GLU 36 CO 0.61 -0.02 0.00 -0.40 -1.18 0.00 0.00 179.01 178.02 1du3 n ASP 37 N -5.36 0.00 0.00 1.04 5.75 -1.26 -4.86 116.55 111.87 1du3 n ASP 37 Ca 0.04 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.89 1du3 n ASP 37 Cb 0.27 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1du3 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1du3 n GLY 38 N 0.75 0.28 0.09 6.12 0.00 0.15 -4.83 105.19 107.75 1du3 n GLY 38 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1du3 n GLY 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1du3 h ARG 39 N 0.73 0.00 -4.77 1.61 2.43 -1.89 -3.46 114.38 109.03 1du3 h ARG 39 Ca 0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 1du3 h ARG 39 Cb 0.36 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.76 1du3 h ARG 39 CO 0.00 0.84 -0.59 -0.51 -1.51 0.00 0.00 179.97 178.19 1du3 s ASP 40 N -6.64 0.90 -0.27 -3.80 1.01 -1.26 -4.52 116.67 102.08 1du3 s ASP 40 Ca 0.02 -1.45 0.02 0.00 0.71 0.00 0.00 52.55 51.84 1du3 s ASP 40 Cb 0.09 0.33 0.07 0.00 1.01 0.00 0.00 42.92 44.42 1du3 s ASP 40 CO 0.79 -0.83 -0.04 0.00 0.21 0.00 0.00 175.17 175.30 1du3 s ILE 42 N 1.21 4.45 0.22 0.00 1.09 -0.93 -4.03 121.20 123.21 1du3 s ILE 42 Ca -0.02 1.02 -0.01 0.00 -1.10 0.00 0.00 60.65 60.54 1du3 s ILE 42 Cb -0.19 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1du3 s ILE 42 CO -0.08 -0.82 0.42 -0.55 -0.10 0.00 0.00 174.94 173.81 1du3 s SER 43 N -3.42 6.39 0.34 3.58 0.15 -1.26 -1.67 113.70 117.80 1du3 s SER 43 Ca 0.58 0.44 -0.23 0.00 0.70 0.00 0.00 55.95 57.45 1du3 s SER 43 Cb -0.11 -2.03 -0.10 0.00 -1.71 0.00 0.00 66.02 62.07 1du3 s SER 43 CO 0.41 -0.07 0.90 0.00 1.20 0.00 0.00 173.24 175.68 1du3 s LYS 45 N -2.41 4.25 0.46 0.00 3.01 -1.26 -4.95 119.74 118.84 1du3 s LYS 45 Ca 0.53 1.87 -0.25 0.00 -1.01 0.00 0.00 55.97 57.11 1du3 s LYS 45 Cb -0.15 -3.72 -0.08 0.00 -1.01 0.00 0.00 37.83 32.87 1du3 s LYS 45 CO 0.20 -0.66 1.41 -0.47 0.51 0.00 0.00 175.35 176.34 1du3 s TYR 46 N 3.09 2.45 0.00 3.18 6.14 -1.26 -1.98 117.35 128.97 1du3 s TYR 46 Ca 0.62 1.28 0.00 0.00 0.64 0.00 0.00 57.07 59.61 1du3 s TYR 46 Cb -0.28 -3.90 0.00 0.00 0.42 0.00 0.00 41.96 38.21 1du3 s TYR 46 CO 0.22 -2.91 0.00 0.41 0.64 0.00 0.00 175.55 173.92 1du3 n GLY 47 N 0.60 2.56 0.00 8.97 0.00 -1.04 -4.79 105.19 111.49 1du3 n GLY 47 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1du3 n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1du3 n GLN 48 N -1.90 0.00 -3.22 1.61 7.27 -0.84 -4.81 117.38 115.49 1du3 n GLN 48 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 1du3 n GLN 48 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 1du3 n GLN 48 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1du3 s ASP 49 N -0.32 5.28 0.18 1.69 1.47 -1.03 -0.52 116.67 123.42 1du3 s ASP 49 Ca 0.00 -0.69 -0.24 0.00 1.18 0.00 0.00 52.55 52.81 1du3 s ASP 49 Cb 0.00 -0.27 0.05 0.00 -0.34 0.00 0.00 42.92 42.36 1du3 s ASP 49 CO 0.00 -0.93 0.85 -0.72 0.68 0.00 0.00 175.17 175.04 1du3 s TYR 50 N -2.50 -0.20 -0.17 2.11 1.13 0.36 -4.11 117.35 113.97 1du3 s TYR 50 Ca 0.54 -0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 55.98 1du3 s TYR 50 Cb -0.07 0.65 0.06 0.00 -1.10 0.00 0.00 41.96 41.51 1du3 s TYR 50 CO 0.33 -0.94 0.39 -1.54 -2.51 0.00 0.00 175.55 171.28 1du3 s SER 51 N -2.88 -0.41 0.00 -0.18 1.04 -1.21 -0.01 113.70 110.05 1du3 s SER 51 Ca 0.10 0.87 0.21 0.00 0.48 0.00 0.00 55.95 57.62 1du3 s SER 51 Cb -0.03 0.86 0.09 0.00 0.10 0.00 0.00 66.02 67.04 1du3 s SER 51 CO 0.02 -0.20 1.11 1.07 0.98 0.00 0.00 173.24 176.22 1du3 n THR 52 N 4.54 0.00 -4.17 2.02 5.66 -1.19 0.61 114.28 121.75 1du3 n THR 52 Ca -0.20 -0.39 -0.11 0.00 -3.05 0.00 0.00 64.05 60.30 1du3 n THR 52 Cb 0.54 1.35 -0.10 0.00 -1.55 0.00 0.00 70.33 70.57 1du3 n THR 52 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1du3 s HIS 53 N -2.07 0.91 0.56 1.09 3.76 -1.26 -4.70 115.29 113.58 1du3 s HIS 53 Ca 0.21 -0.84 -0.20 0.00 -0.15 0.00 0.00 55.06 54.09 1du3 s HIS 53 Cb 0.18 -0.52 -0.06 0.00 1.11 0.00 0.00 32.58 33.28 1du3 s HIS 53 CO 0.40 -0.11 0.99 0.91 -0.85 0.00 0.00 174.74 176.08 1du3 n TRP 54 N 0.15 0.98 -3.90 1.40 7.02 -1.26 -4.04 117.44 117.78 1du3 n TRP 54 Ca -0.13 0.46 -0.03 0.00 -1.02 0.00 0.00 57.50 56.78 1du3 n TRP 54 Cb 0.60 -2.17 0.02 0.00 -2.42 0.00 0.00 31.31 27.34 1du3 n TRP 54 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1du3 n ASN 55 N -0.45 -1.68 -2.24 -0.99 0.23 -0.38 -4.87 115.26 104.88 1du3 n ASN 55 Ca 0.12 -1.85 -0.02 0.00 -0.53 0.00 0.00 54.58 52.30 1du3 n ASN 55 Cb 0.45 2.73 0.05 0.00 -2.08 0.00 0.00 39.78 40.93 1du3 n ASN 55 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1du3 n ASP 56 N -1.28 1.95 -4.73 0.53 5.75 -1.26 -1.18 116.55 116.34 1du3 n ASP 56 Ca -0.02 -2.41 -0.41 0.00 -0.01 0.00 0.00 54.79 51.94 1du3 n ASP 56 Cb 0.58 -0.42 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 1du3 n ASP 56 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1du3 s LEU 57 N -2.82 4.48 0.00 -2.12 1.43 -1.26 -4.66 118.68 113.73 1du3 s LEU 57 Ca 0.33 2.00 0.29 0.00 -1.03 0.00 0.00 54.13 55.72 1du3 s LEU 57 Cb 0.35 -3.60 1.58 0.00 0.03 0.00 0.00 46.19 44.56 1du3 s LEU 57 CO -0.06 -0.21 2.02 0.18 0.23 0.00 0.00 176.35 178.51 1du3 n LEU 58 N 2.65 0.00 -3.55 1.79 7.99 -1.26 -0.35 117.00 124.26 1du3 n LEU 58 Ca 0.03 0.15 -0.17 0.00 -0.01 0.00 0.00 56.01 56.01 1du3 n LEU 58 Cb 0.47 -0.15 -0.06 0.00 -0.11 0.00 0.00 43.42 43.57 1du3 n LEU 58 CO 0.53 -0.01 0.44 -0.36 -1.51 0.00 0.00 177.39 176.48 1du3 s PHE 59 N -2.29 -0.69 0.80 -1.77 0.08 -1.26 -4.83 117.98 108.01 1du3 s PHE 59 Ca 0.35 1.36 -0.12 0.00 0.12 0.00 0.00 56.93 58.64 1du3 s PHE 59 Cb 0.19 0.37 0.07 0.00 -0.57 0.00 0.00 43.02 43.09 1du3 s PHE 59 CO 0.38 -0.54 1.17 0.00 -0.10 0.00 0.00 175.22 176.13 1du3 s LEU 61 N -5.57 4.31 0.82 0.00 1.43 0.98 -4.69 118.68 115.97 1du3 s LEU 61 Ca 0.62 1.10 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 1du3 s LEU 61 Cb -0.11 -2.98 0.09 0.00 0.03 0.00 0.00 46.19 43.22 1du3 s LEU 61 CO 0.50 -0.08 1.17 -0.13 0.23 0.00 0.00 176.35 178.04 1du3 s ARG 62 N 0.71 1.59 0.25 1.70 1.81 -1.26 -0.49 118.95 123.26 1du3 s ARG 62 Ca 0.34 1.63 -0.20 0.00 -1.72 0.00 0.00 55.73 55.78 1du3 s ARG 62 Cb -0.17 -1.78 -0.09 0.00 -0.45 0.00 0.00 34.95 32.46 1du3 s ARG 62 CO 0.16 -2.22 0.76 0.00 -0.68 0.00 0.00 175.30 173.32 1du3 s THR 64 N -1.60 2.75 -0.15 0.00 2.01 -1.26 -5.02 115.64 112.38 1du3 s THR 64 Ca 0.45 0.24 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 1du3 s THR 64 Cb -0.16 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.40 1du3 s THR 64 CO 0.21 -0.32 0.02 -0.60 -0.69 0.00 0.00 174.62 173.24 1du3 s ARG 65 N -5.20 0.64 0.05 4.92 3.52 -1.26 -4.74 118.95 116.89 1du3 s ARG 65 Ca 0.62 -0.22 -0.32 0.00 -0.13 0.00 0.00 55.73 55.68 1du3 s ARG 65 Cb -0.14 -1.69 -0.11 0.00 -1.56 0.00 0.00 34.95 31.45 1du3 s ARG 65 CO 0.54 -0.51 1.85 0.00 -0.81 0.00 0.00 175.30 176.37 1du3 s ASP 67 N 3.29 3.39 1.26 0.00 -4.77 -1.26 -4.90 116.67 113.68 1du3 s ASP 67 Ca 0.86 0.41 -0.19 0.00 -3.30 0.00 0.00 52.55 50.34 1du3 s ASP 67 Cb -0.55 -0.58 0.29 0.00 -1.09 0.00 0.00 42.92 40.98 1du3 s ASP 67 CO 0.43 -2.57 0.65 -1.20 0.70 0.00 0.00 175.17 173.17 1du3 n SER 68 N -3.69 -3.50 0.00 2.11 7.64 -1.26 -1.95 113.62 112.97 1du3 n SER 68 Ca 0.13 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1du3 n SER 68 Cb 0.60 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1du3 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1du3 n GLY 69 N 2.06 0.25 3.14 0.23 0.00 -1.26 -4.91 105.19 104.70 1du3 n GLY 69 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1du3 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du3 s GLU 70 N -0.54 1.65 0.06 1.61 2.02 -0.82 0.18 118.70 122.86 1du3 s GLU 70 Ca 0.00 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1du3 s GLU 70 Cb 0.00 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 1du3 s GLU 70 CO 0.00 0.28 0.12 0.14 0.02 0.00 0.00 175.26 175.82 1du3 s VAL 71 N -0.10 4.84 -0.54 2.63 -7.23 0.61 -4.69 120.40 115.92 1du3 s VAL 71 Ca -0.00 -0.58 -0.21 0.00 -1.81 0.00 0.00 61.98 59.38 1du3 s VAL 71 Cb -0.10 -3.32 0.06 0.00 0.56 0.00 0.00 36.38 33.58 1du3 s VAL 71 CO 0.01 0.18 0.76 -0.70 -0.31 0.00 0.00 175.10 175.04 1du3 s GLU 72 N -2.29 3.19 0.00 4.82 2.12 -1.26 -2.00 118.70 123.27 1du3 s GLU 72 Ca 0.30 -0.71 0.24 0.00 0.36 0.00 0.00 54.97 55.16 1du3 s GLU 72 Cb -0.12 -4.10 0.93 0.00 0.26 0.00 0.00 34.13 31.09 1du3 s GLU 72 CO 0.22 -1.38 1.66 1.28 -0.54 0.00 0.00 175.26 176.50 1du3 n LEU 73 N 6.73 1.45 -3.46 2.70 4.32 -0.34 -4.83 117.00 123.57 1du3 n LEU 73 Ca -0.04 -0.56 0.03 0.00 -0.02 0.00 0.00 56.01 55.43 1du3 n LEU 73 Cb 0.46 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.15 1du3 n LEU 73 CO 0.58 0.28 1.00 -0.55 -1.22 0.00 0.00 177.39 177.48 1du3 s SER 74 N -1.74 -0.02 0.92 -1.43 0.15 -1.23 -4.94 113.70 105.40 1du3 s SER 74 Ca 0.35 0.04 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 1du3 s SER 74 Cb 0.19 1.02 0.15 0.00 -1.71 0.00 0.00 66.02 65.66 1du3 s SER 74 CO 0.29 -0.01 1.11 -2.16 1.20 0.00 0.00 173.24 173.68 1du3 s PRO 75 N 1.41 1.02 -1.01 5.44 0.04 -1.26 -1.13 135.00 139.51 1du3 s PRO 75 Ca -0.05 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.04 1du3 s PRO 75 Cb -0.01 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.82 1du3 s PRO 75 CO -0.12 -2.54 1.49 0.00 0.04 0.00 0.00 177.00 175.87 1du3 n THR 77 N 6.97 0.00 1.50 0.00 -2.24 -0.86 -2.50 114.28 117.15 1du3 n THR 77 Ca 0.33 -0.18 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 1du3 n THR 77 Cb 0.51 -1.00 0.73 0.00 -2.10 0.00 0.00 70.33 68.47 1du3 n THR 77 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1du3 n THR 78 N -5.60 0.00 0.00 4.28 5.66 -1.26 -3.81 114.28 113.55 1du3 n THR 78 Ca 0.10 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1du3 n THR 78 Cb 0.58 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 1du3 n THR 78 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1du3 n THR 79 N -1.12 0.00 -5.19 1.09 -2.24 -1.26 -3.33 114.28 102.22 1du3 n THR 79 Ca 0.16 -0.17 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1du3 n THR 79 Cb 0.24 0.74 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 1du3 n THR 79 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1du3 s ARG 80 N -0.71 2.47 0.68 -0.78 3.00 -1.25 -3.18 118.95 119.18 1du3 s ARG 80 Ca 0.00 -0.85 -0.14 0.00 -1.00 0.00 0.00 55.73 53.74 1du3 s ARG 80 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 34.95 32.89 1du3 s ARG 80 CO 0.00 0.34 1.10 1.21 0.00 0.00 0.00 175.30 177.95 1du3 s ASN 81 N -0.08 5.02 1.26 -2.12 2.47 -1.26 -2.03 114.94 118.19 1du3 s ASN 81 Ca -0.05 1.94 -0.16 0.00 0.42 0.00 0.00 52.86 55.01 1du3 s ASN 81 Cb -0.14 -2.54 0.32 0.00 -1.45 0.00 0.00 41.25 37.44 1du3 s ASN 81 CO 0.04 -1.69 0.99 0.28 -3.72 0.00 0.00 177.10 173.00 1du3 s THR 82 N -2.49 1.77 -0.12 -5.21 -1.32 -1.26 -4.69 115.64 102.32 1du3 s THR 82 Ca 0.65 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.11 1du3 s THR 82 Cb -0.19 -2.05 0.04 0.00 -1.51 0.00 0.00 72.50 68.79 1du3 s THR 82 CO 0.45 0.00 0.04 -0.69 -2.21 0.00 0.00 174.62 172.21 1du3 s VAL 83 N -2.39 0.25 -0.09 5.08 1.01 -0.28 -4.90 120.40 119.08 1du3 s VAL 83 Ca 0.69 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1du3 s VAL 83 Cb -0.22 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1du3 s VAL 83 CO 0.63 0.01 -0.08 0.00 0.00 0.00 0.00 175.10 175.66 1du3 s GLN 85 N -0.48 1.24 0.60 0.00 0.74 -0.85 -4.91 119.66 116.00 1du3 s GLN 85 Ca 0.07 -1.37 -0.19 0.00 0.05 0.00 0.00 55.36 53.92 1du3 s GLN 85 Cb -0.12 -1.29 -0.03 0.00 1.10 0.00 0.00 33.01 32.67 1du3 s GLN 85 CO 0.02 0.26 1.22 0.00 -0.55 0.00 0.00 175.29 176.25 1du3 s GLU 87 N -3.31 3.15 0.57 0.00 2.56 0.48 -4.60 118.70 117.55 1du3 s GLU 87 Ca 0.78 1.16 -0.20 0.00 0.00 0.00 0.00 54.97 56.70 1du3 s GLU 87 Cb -0.32 -2.01 -0.05 0.00 2.00 0.00 0.00 34.13 33.76 1du3 s GLU 87 CO 0.34 -0.94 1.22 -0.85 -0.56 0.00 0.00 175.26 174.47 1du3 n GLU 88 N -2.38 1.36 0.00 4.30 0.28 -1.26 -1.72 120.64 121.22 1du3 n GLU 88 Ca 0.09 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 1du3 n GLU 88 Cb 0.53 -2.42 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1du3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1du3 n GLY 89 N 0.96 2.82 3.81 -1.84 0.00 -1.26 -5.00 105.19 104.67 1du3 n GLY 89 Ca 0.12 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1du3 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1du3 s THR 90 N -1.86 2.43 0.33 2.61 -4.23 -0.70 -4.61 115.64 109.62 1du3 s THR 90 Ca 0.00 -1.53 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 1du3 s THR 90 Cb 0.00 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1du3 s THR 90 CO 0.00 0.00 0.53 0.72 -0.54 0.00 0.00 174.62 175.33 1du3 s PHE 91 N -2.55 0.75 0.00 3.99 -0.71 0.15 -4.54 117.98 115.07 1du3 s PHE 91 Ca 0.44 -1.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1du3 s PHE 91 Cb 0.00 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 1du3 s PHE 91 CO 0.25 -1.19 0.00 -2.13 -1.34 0.00 0.00 175.22 170.81 1du3 n ARG 92 N -0.52 3.20 0.00 1.99 0.63 -1.04 -0.82 116.66 120.11 1du3 n ARG 92 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1du3 n ARG 92 Cb 0.61 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.52 1du3 n ARG 92 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1du3 n GLU 93 N 0.00 0.00 0.00 -0.14 2.13 -1.25 -3.86 120.64 117.52 1du3 n GLU 93 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1du3 n GLU 93 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1du3 n GLU 93 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1du3 n GLU 94 N -0.27 0.00 0.21 5.31 2.13 -1.26 -1.95 120.64 124.81 1du3 n GLU 94 Ca 0.00 0.59 0.11 0.00 0.66 0.00 0.00 57.16 58.52 1du3 n GLU 94 Cb 0.00 -1.41 0.60 0.00 0.27 0.00 0.00 31.44 30.91 1du3 n GLU 94 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1du3 h ASP 95 N 0.00 0.00 -2.13 4.31 3.32 -2.04 -3.26 116.42 116.62 1du3 h ASP 95 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1du3 h ASP 95 Cb 0.00 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.14 1du3 h ASP 95 CO 0.00 0.00 -0.88 -1.54 -1.72 0.00 0.00 179.24 175.10 1du3 n SER 96 N -2.36 2.51 -0.91 6.45 3.41 -0.82 -4.89 113.62 117.02 1du3 n SER 96 Ca -0.01 -3.27 0.05 0.00 -0.26 0.00 0.00 58.87 55.38 1du3 n SER 96 Cb 0.19 -0.61 0.19 0.00 -0.26 0.00 0.00 64.21 63.72 1du3 n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1du3 n PRO 97 N 0.41 2.32 -0.03 4.33 -0.04 -1.11 -3.80 135.00 137.08 1du3 n PRO 97 Ca 0.27 -1.52 -0.14 0.00 -0.04 0.00 0.00 63.50 62.07 1du3 n PRO 97 Cb 0.50 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1du3 n PRO 97 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1du3 n GLU 98 N 0.55 0.69 -3.77 0.54 -0.58 -1.26 -4.96 120.64 111.84 1du3 n GLU 98 Ca 0.14 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.99 1du3 n GLU 98 Cb 0.48 -1.72 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 1du3 n GLU 98 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1du3 s MET 99 N -2.57 0.43 -0.09 3.49 -1.94 -1.26 -5.11 119.30 112.26 1du3 s MET 99 Ca -0.14 0.27 -0.29 0.00 -1.71 0.00 0.00 55.69 53.82 1du3 s MET 99 Cb 0.07 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 37.06 1du3 s MET 99 CO 0.79 -0.07 1.70 0.00 -0.01 0.00 0.00 175.02 177.43 1du3 s ARG 101 N 4.32 3.67 0.06 0.00 0.52 0.00 -4.76 118.95 122.77 1du3 s ARG 101 Ca 0.76 0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.68 1du3 s ARG 101 Cb -0.32 -2.86 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 1du3 s ARG 101 CO 0.31 0.47 1.26 0.15 0.02 0.00 0.00 175.30 177.51 1du3 s LYS 102 N -2.48 4.39 0.98 3.54 1.02 -1.26 0.34 119.74 126.26 1du3 s LYS 102 Ca 0.40 1.86 -0.20 0.00 0.02 0.00 0.00 55.97 58.04 1du3 s LYS 102 Cb -0.12 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 1du3 s LYS 102 CO 0.22 -0.34 -0.70 -0.25 -0.92 0.00 0.00 175.35 173.37 1du3 n ASP 116 N 4.11 -2.70 -4.55 2.83 8.00 -1.26 -4.90 116.55 118.08 1du3 n ASP 116 Ca 0.10 -0.09 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 1du3 n ASP 116 Cb 0.45 -0.66 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1du3 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 n THR 118 N 5.98 -0.33 0.00 0.00 5.66 -1.26 -4.90 114.28 119.43 1du3 n THR 118 Ca 0.02 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1du3 n THR 118 Cb 0.48 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1du3 n THR 118 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1du3 n PRO 119 N 1.59 0.00 -0.56 1.09 -0.02 -1.26 -1.07 135.00 134.77 1du3 n PRO 119 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1du3 n PRO 119 Cb 0.00 -0.97 0.01 0.00 -0.02 0.00 0.00 33.50 32.52 1du3 n PRO 119 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1du3 n TRP 120 N -0.17 0.00 -3.62 6.00 8.01 -1.26 -2.49 117.44 123.91 1du3 n TRP 120 Ca 0.00 -0.08 -0.06 0.00 -1.31 0.00 0.00 57.50 56.05 1du3 n TRP 120 Cb 0.00 -0.06 -0.06 0.00 -2.01 0.00 0.00 31.31 29.18 1du3 n TRP 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1du3 s SER 121 N -1.15 -0.23 0.77 -0.99 0.15 -0.24 -4.64 113.70 107.37 1du3 s SER 121 Ca 0.04 0.34 -0.11 0.00 0.70 0.00 0.00 55.95 56.92 1du3 s SER 121 Cb 0.04 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.71 1du3 s SER 121 CO -0.01 -0.15 1.08 -0.62 1.20 0.00 0.00 173.24 174.74 1du3 s ASP 122 N -0.57 4.65 0.00 5.45 2.15 -1.26 -4.40 116.67 122.69 1du3 s ASP 122 Ca 0.04 1.63 0.00 0.00 0.43 0.00 0.00 52.55 54.65 1du3 s ASP 122 Cb -0.02 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1du3 s ASP 122 CO -0.06 -1.91 0.00 2.30 -0.17 0.00 0.00 175.17 175.33