#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dz4 s HIS 5 N 0.00 3.32 -0.08 0.00 5.04 -1.26 -5.04 115.29 117.28 3dz4 s HIS 5 Ca 0.00 1.60 -0.19 0.00 -1.54 0.00 0.00 55.06 54.92 3dz4 s HIS 5 Cb 0.00 -3.40 0.04 0.00 0.04 0.00 0.00 32.58 29.26 3dz4 s HIS 5 CO 0.00 -1.04 0.45 0.12 -2.34 0.00 0.00 174.74 171.93 3dz4 s PHE 6 N -1.24 -0.41 -0.03 3.88 5.36 -1.26 -5.16 117.98 119.14 3dz4 s PHE 6 Ca 0.49 0.81 -0.00 0.00 -0.96 0.00 0.00 56.93 57.26 3dz4 s PHE 6 Cb -0.33 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.58 3dz4 s PHE 6 CO 0.43 -0.39 0.04 0.12 -1.46 0.00 0.00 175.22 173.96 3dz4 s PHE 7 N -0.76 0.01 -0.70 10.12 5.36 -1.26 -5.10 117.98 125.65 3dz4 s PHE 7 Ca -0.08 0.18 -0.23 0.00 -0.96 0.00 0.00 56.93 55.84 3dz4 s PHE 7 Cb -0.03 -0.23 0.07 0.00 -0.34 0.00 0.00 43.02 42.49 3dz4 s PHE 7 CO 0.04 -0.10 1.02 -2.00 -1.46 0.00 0.00 175.22 172.72 3dz4 s GLU 8 N 1.12 3.17 0.32 10.12 2.56 -1.26 -4.88 118.70 129.85 3dz4 s GLU 8 Ca -0.09 -0.87 0.12 0.00 0.00 0.00 0.00 54.97 54.13 3dz4 s GLU 8 Cb -0.13 -4.31 0.54 0.00 2.00 0.00 0.00 34.13 32.23 3dz4 s GLU 8 CO -0.03 -1.85 1.72 0.78 -0.56 0.00 0.00 175.26 175.31 3dz4 h GLY 9 N 11.45 0.00 -5.15 -1.50 0.00 -2.08 -3.44 103.07 102.35 3dz4 h GLY 9 Ca -0.24 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.51 3dz4 h GLY 9 CO 1.19 0.00 0.90 2.41 0.00 0.00 0.00 176.54 181.04 3dz4 n THR 10 N -3.93 0.16 -3.76 4.70 -1.04 -1.26 -4.97 114.28 104.19 3dz4 n THR 10 Ca -0.01 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.74 3dz4 n THR 10 Cb 0.51 -1.67 -0.02 0.00 -1.82 0.00 0.00 70.33 67.34 3dz4 n THR 10 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dz4 s GLU 11 N 1.78 3.46 -0.20 -2.82 8.01 -1.26 -5.09 118.70 122.57 3dz4 s GLU 11 Ca 0.82 -0.59 -0.08 0.00 0.01 0.00 0.00 54.97 55.14 3dz4 s GLU 11 Cb -0.66 -2.81 -0.04 0.00 -4.31 0.00 0.00 34.13 26.30 3dz4 s GLU 11 CO 0.41 0.34 0.08 0.15 0.01 0.00 0.00 175.26 176.25 3dz4 s LYS 12 N -4.02 3.93 -0.11 1.61 1.02 -1.26 -5.09 119.74 115.83 3dz4 s LYS 12 Ca 0.36 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 56.03 3dz4 s LYS 12 Cb -0.09 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 3dz4 s LYS 12 CO 0.31 0.16 -0.23 -1.17 -0.92 0.00 0.00 175.35 173.51 3dz4 s LEU 13 N 0.69 2.06 -0.10 3.17 2.96 -1.26 -5.12 118.68 121.09 3dz4 s LEU 13 Ca 0.04 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 3dz4 s LEU 13 Cb -0.13 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3dz4 s LEU 13 CO 0.02 0.13 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.78 3dz4 s LEU 14 N 0.48 1.87 -0.07 -0.68 2.96 -1.26 -5.12 118.68 116.88 3dz4 s LEU 14 Ca -0.16 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3dz4 s LEU 14 Cb -0.17 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.35 3dz4 s LEU 14 CO 0.06 0.07 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.41 3dz4 s GLU 15 N 0.72 0.96 -0.03 1.98 2.12 -1.26 -5.14 118.70 118.05 3dz4 s GLU 15 Ca -0.12 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.15 3dz4 s GLU 15 Cb -0.16 -1.06 0.00 0.00 0.26 0.00 0.00 34.13 33.17 3dz4 s GLU 15 CO 0.02 -0.17 -0.09 0.08 -0.54 0.00 0.00 175.26 174.55 3dz4 s VAL 16 N 1.36 0.83 -0.16 3.70 1.01 -1.26 -5.12 120.40 120.76 3dz4 s VAL 16 Ca -0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3dz4 s VAL 16 Cb -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3dz4 s VAL 16 CO -0.03 0.26 -0.06 0.26 0.00 0.00 0.00 175.10 175.54 3dz4 s TRP 17 N 0.26 2.96 0.25 5.22 0.52 -1.26 -5.12 118.94 121.78 3dz4 s TRP 17 Ca -0.04 -0.47 0.07 0.00 0.02 0.00 0.00 56.10 55.67 3dz4 s TRP 17 Cb -0.10 -1.96 -0.03 0.00 -1.15 0.00 0.00 33.47 30.23 3dz4 s TRP 17 CO 0.01 -0.16 0.24 -0.06 0.02 0.00 0.00 176.95 177.00 3dz4 s PHE 18 N 0.54 3.19 0.29 -1.98 0.40 -1.26 -5.13 117.98 114.03 3dz4 s PHE 18 Ca -0.04 -0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 3dz4 s PHE 18 Cb -0.15 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.94 3dz4 s PHE 18 CO 0.03 0.48 0.64 -1.54 0.70 0.00 0.00 175.22 175.54 3dz4 s SER 19 N -3.89 -0.11 -0.14 1.36 1.04 -1.26 -5.16 113.70 105.55 3dz4 s SER 19 Ca 0.34 -0.83 -0.00 0.00 0.48 0.00 0.00 55.95 55.94 3dz4 s SER 19 Cb -0.08 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.77 3dz4 s SER 19 CO 0.26 -1.33 -0.10 -0.60 0.98 0.00 0.00 173.24 172.46 3dz4 s ARG 20 N -3.69 1.80 0.30 4.02 3.52 -1.26 -4.99 118.95 118.66 3dz4 s ARG 20 Ca 0.16 -0.43 0.09 0.00 -0.13 0.00 0.00 55.73 55.42 3dz4 s ARG 20 Cb -0.04 -1.88 0.47 0.00 -1.56 0.00 0.00 34.95 31.95 3dz4 s ARG 20 CO 0.09 -0.29 1.69 0.37 -0.81 0.00 0.00 175.30 176.35 3dz4 h GLN 21 N 8.11 0.09 -6.95 5.12 5.75 -2.04 -3.47 115.11 121.72 3dz4 h GLN 21 Ca -0.32 -0.05 -0.60 0.00 -0.15 0.00 0.00 58.65 57.54 3dz4 h GLN 21 Cb 1.13 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 29.59 3dz4 h GLN 21 CO 0.45 0.56 -0.99 0.00 -2.65 0.00 0.00 178.83 176.20 3dz4 n GLN 22 N -3.95 -0.69 0.00 1.69 10.64 -1.26 -5.37 117.38 118.43 3dz4 n GLN 22 Ca -0.02 0.11 0.08 0.00 -1.83 0.00 0.00 57.00 55.34 3dz4 n GLN 22 Cb 0.52 -3.07 0.47 0.00 -0.86 0.00 0.00 30.24 27.30 3dz4 n GLN 22 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 3dz4 n PRO 23 N -4.83 0.47 0.00 2.61 -0.04 -1.26 -5.34 135.00 126.61 3dz4 n PRO 23 Ca -0.20 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3dz4 n PRO 23 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3dz4 n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dz4 n GLN 27 N -1.03 0.00 0.00 0.54 10.64 -1.26 -5.30 117.38 120.97 3dz4 n GLN 27 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 3dz4 n GLN 27 Cb 0.06 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 3dz4 n GLN 27 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dz4 n GLY 28 N 0.00 0.12 0.10 2.61 0.00 -1.26 -4.74 105.19 102.03 3dz4 n GLY 28 Ca 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 3dz4 n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dz4 h SER 29 N 0.00 0.00 -0.07 1.61 4.64 -2.04 -3.47 113.55 114.22 3dz4 h SER 29 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3dz4 h SER 29 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3dz4 h SER 29 CO 0.00 0.80 -0.03 0.61 -0.87 0.00 0.00 176.83 177.34 3dz4 n GLY 30 N 0.77 0.52 3.02 -0.77 0.00 -1.26 -5.01 105.19 102.46 3dz4 n GLY 30 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 3dz4 n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dz4 s ASP 31 N -2.59 0.02 0.51 1.61 -1.08 -1.26 -5.04 116.67 108.85 3dz4 s ASP 31 Ca 0.00 0.52 0.25 0.00 -0.52 0.00 0.00 52.55 52.81 3dz4 s ASP 31 Cb 0.00 0.48 1.40 0.00 -1.46 0.00 0.00 42.92 43.35 3dz4 s ASP 31 CO 0.00 -0.19 2.07 -0.07 0.52 0.00 0.00 175.17 177.50 3dz4 h LEU 32 N 7.64 0.00 -0.24 -1.34 3.38 -2.00 -2.62 115.31 120.13 3dz4 h LEU 32 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dz4 h LEU 32 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3dz4 h LEU 32 CO 0.28 0.12 0.00 0.54 0.09 0.00 0.00 178.44 179.47 3dz4 n ARG 33 N -3.76 0.04 0.24 1.13 1.74 -1.26 -1.75 116.66 113.03 3dz4 n ARG 33 Ca -0.02 0.41 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 3dz4 n ARG 33 Cb 0.23 -1.60 0.44 0.00 -1.02 0.00 0.00 32.46 30.52 3dz4 n ARG 33 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3dz4 h THR 34 N 0.00 0.24 -2.59 0.55 2.02 -1.90 -3.44 112.91 107.79 3dz4 h THR 34 Ca 0.00 -0.95 -0.54 0.00 0.77 0.00 0.00 66.41 65.69 3dz4 h THR 34 Cb 0.15 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3dz4 h THR 34 CO 0.00 0.11 1.08 -0.63 0.37 0.00 0.00 175.52 176.45 3dz4 s ILE 35 N -3.50 3.14 0.72 3.11 1.01 -0.72 -4.96 121.20 120.00 3dz4 s ILE 35 Ca 0.03 0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 3dz4 s ILE 35 Cb 0.08 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.31 3dz4 s ILE 35 CO 0.62 -0.02 1.19 -2.84 0.00 0.00 0.00 174.94 173.89 3dz4 s PRO 36 N 3.38 2.27 0.25 2.79 0.02 -1.26 -4.92 135.00 137.53 3dz4 s PRO 36 Ca 0.77 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 3dz4 s PRO 36 Cb -0.39 -1.86 0.30 0.00 0.02 0.00 0.00 34.50 32.57 3dz4 s PRO 36 CO 0.34 -1.72 1.91 -0.09 -0.33 0.00 0.00 177.00 177.11 3dz4 h ARG 37 N -0.22 1.26 -0.68 5.54 9.65 -1.96 -1.86 114.38 126.13 3dz4 h ARG 37 Ca -0.48 -0.08 0.11 0.00 -1.10 0.00 0.00 59.98 58.44 3dz4 h ARG 37 Cb 1.29 -0.28 -0.04 0.00 -1.39 0.00 0.00 29.97 29.54 3dz4 h ARG 37 CO 0.51 0.83 0.45 0.66 2.80 0.00 0.00 179.97 185.22 3dz4 h SER 38 N 1.30 0.43 0.04 -3.80 4.64 -2.00 -0.57 113.55 113.59 3dz4 h SER 38 Ca 0.38 0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.47 3dz4 h SER 38 Cb -0.06 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3dz4 h SER 38 CO -0.11 0.25 -0.94 -0.33 -0.87 0.00 0.00 176.83 174.84 3dz4 h GLU 39 N 0.48 0.66 -0.66 4.77 4.39 -1.71 -2.67 114.58 119.84 3dz4 h GLU 39 Ca 0.32 -0.65 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 3dz4 h GLU 39 Cb 0.59 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 3dz4 h GLU 39 CO -0.10 1.25 0.17 -1.49 -1.16 0.00 0.00 179.01 177.68 3dz4 h TRP 40 N 0.40 1.07 -0.50 4.33 -0.00 -1.06 -0.85 115.95 119.34 3dz4 h TRP 40 Ca -0.10 -0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.68 3dz4 h TRP 40 Cb 1.58 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 30.41 3dz4 h TRP 40 CO 0.09 0.87 0.31 -0.44 -0.00 0.00 0.00 178.44 179.27 3dz4 h ASP 41 N 0.98 0.59 -0.32 -3.49 3.32 -1.11 -0.84 116.42 115.54 3dz4 h ASP 41 Ca 0.21 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3dz4 h ASP 41 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3dz4 h ASP 41 CO -0.00 0.45 0.06 0.40 -1.72 0.00 0.00 179.24 178.43 3dz4 h ILE 42 N 0.67 1.23 -0.60 0.35 2.04 -1.17 -2.79 117.51 117.24 3dz4 h ILE 42 Ca 0.18 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3dz4 h ILE 42 Cb -0.04 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3dz4 h ILE 42 CO -0.04 0.27 0.40 0.25 0.00 0.00 0.00 178.15 179.03 3dz4 h LEU 43 N 0.36 0.70 -1.09 1.44 6.46 -0.94 -2.47 115.31 119.76 3dz4 h LEU 43 Ca 0.10 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3dz4 h LEU 43 Cb 0.34 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 3dz4 h LEU 43 CO 0.01 0.51 0.00 -0.07 -0.62 0.00 0.00 178.44 178.26 3dz4 h LEU 44 N 0.82 0.00 -0.57 2.25 3.38 -1.08 -3.02 115.31 117.08 3dz4 h LEU 44 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3dz4 h LEU 44 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dz4 h LEU 44 CO -0.05 0.00 0.32 0.11 0.09 0.00 0.00 178.44 178.91 3dz4 h LYS 45 N 0.00 0.80 -0.06 1.13 1.79 -1.16 -1.29 116.57 117.79 3dz4 h LYS 45 Ca 0.00 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 3dz4 h LYS 45 Cb 0.40 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 3dz4 h LYS 45 CO 0.00 0.61 -0.27 -0.44 -1.08 0.00 0.00 179.45 178.26 3dz4 h ASP 46 N 0.78 0.10 1.59 0.86 3.32 -1.64 -2.02 116.42 119.41 3dz4 h ASP 46 Ca 0.20 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3dz4 h ASP 46 Cb 0.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3dz4 h ASP 46 CO -0.03 0.38 0.00 0.58 -1.72 0.00 0.00 179.24 178.44 3dz4 h VAL 47 N 0.09 0.00 -2.58 -1.35 2.07 -1.49 -3.47 116.25 109.52 3dz4 h VAL 47 Ca 0.01 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 3dz4 h VAL 47 Cb 0.54 1.74 0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3dz4 h VAL 47 CO 0.04 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 3dz4 n GLN 48 N -2.94 -2.44 -4.00 1.57 6.02 -0.54 -5.06 117.38 109.99 3dz4 n GLN 48 Ca 0.03 0.26 -0.09 0.00 -0.01 0.00 0.00 57.00 57.19 3dz4 n GLN 48 Cb 0.44 -3.55 -0.06 0.00 1.02 0.00 0.00 30.24 28.09 3dz4 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dz4 s SER 50 N -3.02 0.05 0.07 0.00 1.04 0.20 -4.18 113.70 107.87 3dz4 s SER 50 Ca 0.22 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.68 3dz4 s SER 50 Cb 0.01 0.39 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3dz4 s SER 50 CO 0.07 -0.80 1.13 -0.63 0.98 0.00 0.00 173.24 174.00 3dz4 s ILE 51 N -3.88 4.18 -0.02 -1.02 1.01 -1.26 -0.71 121.20 119.50 3dz4 s ILE 51 Ca 0.08 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.36 3dz4 s ILE 51 Cb 0.04 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3dz4 s ILE 51 CO -0.08 0.16 0.02 2.30 0.00 0.00 0.00 174.94 177.34 3dz4 n ILE 52 N 3.58 0.00 -3.65 2.92 -5.35 -0.37 -4.91 119.36 111.58 3dz4 n ILE 52 Ca 0.07 -0.27 -0.15 0.00 -0.27 0.00 0.00 62.75 62.13 3dz4 n ILE 52 Cb 0.47 0.76 -0.08 0.00 -1.74 0.00 0.00 39.64 39.06 3dz4 n ILE 52 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3dz4 s SER 53 N -1.52 -0.46 -0.02 7.28 0.15 -1.12 -4.98 113.70 113.03 3dz4 s SER 53 Ca 0.00 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.25 3dz4 s SER 53 Cb 0.00 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 3dz4 s SER 53 CO 0.03 -0.43 0.01 -0.69 1.20 0.00 0.00 173.24 173.35 3dz4 s VAL 54 N -0.81 0.09 -0.06 4.45 1.01 -1.26 -1.39 120.40 122.43 3dz4 s VAL 54 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3dz4 s VAL 54 Cb -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3dz4 s VAL 54 CO 0.05 0.11 -0.05 -0.89 0.00 0.00 0.00 175.10 174.32 3dz4 s THR 55 N 0.86 0.65 -0.02 3.92 2.01 0.19 -5.01 115.64 118.24 3dz4 s THR 55 Ca -0.08 -0.15 0.05 0.00 0.31 0.00 0.00 61.69 61.82 3dz4 s THR 55 Cb -0.11 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.70 3dz4 s THR 55 CO -0.02 0.26 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.46 3dz4 s LYS 56 N 1.11 2.34 0.39 4.92 1.02 -1.26 -0.38 119.74 127.88 3dz4 s LYS 56 Ca -0.08 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.15 3dz4 s LYS 56 Cb -0.14 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3dz4 s LYS 56 CO -0.01 0.60 0.09 0.95 -0.92 0.00 0.00 175.35 176.05 3dz4 s THR 57 N -0.75 0.90 0.31 2.17 -4.23 -0.25 -5.02 115.64 108.78 3dz4 s THR 57 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3dz4 s THR 57 Cb -0.10 -2.51 0.27 0.00 1.34 0.00 0.00 72.50 71.50 3dz4 s THR 57 CO 0.01 0.00 1.95 0.44 -0.54 0.00 0.00 174.62 176.49 3dz4 h ASP 58 N 1.87 0.88 0.17 3.99 3.32 -2.05 -3.23 116.42 121.37 3dz4 h ASP 58 Ca -0.38 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 3dz4 h ASP 58 Cb 1.27 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3dz4 h ASP 58 CO 0.64 0.61 -1.97 0.29 -1.72 0.00 0.00 179.24 177.09 3dz4 n LYS 59 N -4.45 0.66 -3.56 3.56 5.02 -1.26 -5.04 118.16 113.10 3dz4 n LYS 59 Ca 0.11 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 3dz4 n LYS 59 Cb 0.11 -1.58 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 3dz4 n LYS 59 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3dz4 s GLN 60 N -3.10 1.13 -0.11 1.97 -2.07 -1.22 -5.14 119.66 111.12 3dz4 s GLN 60 Ca -0.07 -0.55 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 3dz4 s GLN 60 Cb 0.10 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.53 3dz4 s GLN 60 CO 0.86 -0.45 -0.21 -1.21 -1.32 0.00 0.00 175.29 172.95 3dz4 s GLU 61 N -3.55 3.13 -0.05 9.60 2.02 -1.26 -1.09 118.70 127.49 3dz4 s GLU 61 Ca 0.01 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.20 3dz4 s GLU 61 Cb 0.01 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 3dz4 s GLU 61 CO -0.11 0.19 -0.16 0.00 0.02 0.00 0.00 175.26 175.20 3dz4 s ALA 62 N 0.34 2.58 -0.02 5.21 0.00 0.49 -4.99 121.76 125.37 3dz4 s ALA 62 Ca -0.17 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.85 3dz4 s ALA 62 Cb -0.18 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3dz4 s ALA 62 CO 0.08 0.52 -0.18 0.71 0.00 0.00 0.00 175.76 176.89 3dz4 s TYR 63 N -0.61 1.70 -0.17 0.00 1.51 -1.26 -0.63 117.35 117.88 3dz4 s TYR 63 Ca 0.09 -0.36 -0.08 0.00 -1.01 0.00 0.00 57.07 55.71 3dz4 s TYR 63 Cb -0.11 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 3dz4 s TYR 63 CO 0.01 -0.06 0.10 0.08 -1.11 0.00 0.00 175.55 174.56 3dz4 s VAL 64 N -0.33 5.11 0.39 0.71 1.01 -0.48 -4.99 120.40 121.82 3dz4 s VAL 64 Ca 0.05 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.18 3dz4 s VAL 64 Cb -0.08 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3dz4 s VAL 64 CO -0.00 0.50 0.25 -0.76 0.00 0.00 0.00 175.10 175.09 3dz4 s LEU 65 N -0.04 3.30 -0.02 3.92 1.43 -1.26 -1.23 118.68 124.77 3dz4 s LEU 65 Ca 0.08 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.29 3dz4 s LEU 65 Cb -0.12 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.31 3dz4 s LEU 65 CO 0.00 -0.50 0.13 -0.55 0.23 0.00 0.00 176.35 175.67 3dz4 s SER 66 N -3.98 -0.04 0.00 2.29 0.15 0.12 -4.83 113.70 107.41 3dz4 s SER 66 Ca 0.43 -0.01 0.31 0.00 0.70 0.00 0.00 55.95 57.37 3dz4 s SER 66 Cb -0.01 0.24 1.67 0.00 -1.71 0.00 0.00 66.02 66.21 3dz4 s SER 66 CO 0.25 -0.24 2.10 1.21 1.20 0.00 0.00 173.24 177.76