#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz3 s LYS 11 N 0.00 3.28 -0.12 3.69 -0.14 -1.26 -1.53 119.74 123.67 1wz3 s LYS 11 Ca 0.00 -0.41 -0.01 0.00 -1.36 0.00 0.00 55.97 54.19 1wz3 s LYS 11 Cb 0.00 -2.90 -0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1wz3 s LYS 11 CO 0.00 0.56 -0.06 0.42 -0.76 0.00 0.00 175.35 175.50 1wz3 s ILE 12 N -0.47 3.70 -0.21 2.17 -1.09 0.24 -4.87 121.20 120.67 1wz3 s ILE 12 Ca 0.09 -0.45 -0.28 0.00 -2.23 0.00 0.00 60.65 57.77 1wz3 s ILE 12 Cb -0.12 -2.57 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 1wz3 s ILE 12 CO 0.02 0.54 1.00 -0.69 -1.23 0.00 0.00 174.94 174.58 1wz3 s VAL 13 N -0.08 4.72 -0.20 2.92 1.01 -1.26 -0.38 120.40 127.13 1wz3 s VAL 13 Ca 0.01 1.95 -0.03 0.00 0.00 0.00 0.00 61.98 63.91 1wz3 s VAL 13 Cb -0.13 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1wz3 s VAL 13 CO 0.03 -0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 174.25 1wz3 s VAL 14 N 2.95 3.33 -0.43 2.92 1.01 0.14 -4.95 120.40 125.37 1wz3 s VAL 14 Ca 0.43 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 1wz3 s VAL 14 Cb -0.16 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 33.76 1wz3 s VAL 14 CO 0.08 0.44 0.37 -2.28 0.00 0.00 0.00 175.10 173.71 1wz3 s HIS 15 N 1.26 3.21 -0.18 5.22 5.04 -1.26 -1.29 115.29 127.30 1wz3 s HIS 15 Ca 0.03 -0.57 -0.20 0.00 -1.54 0.00 0.00 55.06 52.78 1wz3 s HIS 15 Cb -0.14 -2.79 -0.03 0.00 0.04 0.00 0.00 32.58 29.65 1wz3 s HIS 15 CO -0.02 -0.67 0.59 -0.51 -2.34 0.00 0.00 174.74 171.79 1wz3 s LEU 16 N 1.85 4.18 -0.12 8.88 1.43 0.11 -5.02 118.68 129.98 1wz3 s LEU 16 Ca 0.07 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1wz3 s LEU 16 Cb -0.19 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1wz3 s LEU 16 CO 0.11 -0.20 -0.15 -0.60 0.23 0.00 0.00 176.35 175.74 1wz3 s ARG 17 N 1.56 2.28 0.21 1.70 3.52 -1.26 -4.75 118.95 122.21 1wz3 s ARG 17 Ca 0.28 -0.58 -0.24 0.00 -0.13 0.00 0.00 55.73 55.06 1wz3 s ARG 17 Cb -0.16 -1.98 -0.08 0.00 -1.56 0.00 0.00 34.95 31.17 1wz3 s ARG 17 CO 0.11 -0.11 0.80 0.00 -0.81 0.00 0.00 175.30 175.29 1wz3 s ALA 18 N 1.12 3.40 0.32 6.12 0.00 -1.26 -5.06 121.76 126.40 1wz3 s ALA 18 Ca -0.03 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1wz3 s ALA 18 Cb -0.14 -2.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 1wz3 s ALA 18 CO -0.04 0.28 0.45 0.95 0.00 0.00 0.00 175.76 177.40 1wz3 s THR 19 N -1.31 0.00 -1.54 0.00 -4.23 -1.26 -4.96 115.64 102.34 1wz3 s THR 19 Ca 0.40 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 1wz3 s THR 19 Cb -0.21 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.11 1wz3 s THR 19 CO 0.25 0.00 0.37 0.61 -0.54 0.00 0.00 174.62 175.31 1wz3 n GLY 20 N -0.52 -0.24 2.76 3.99 0.00 -1.26 -2.02 105.19 107.90 1wz3 n GLY 20 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wz3 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wz3 n GLY 21 N -2.00 1.27 3.80 -0.02 0.00 -1.26 -5.04 105.19 101.94 1wz3 n GLY 21 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1wz3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wz3 s ALA 22 N -3.68 2.92 0.39 4.61 0.00 -0.86 -4.99 121.76 120.15 1wz3 s ALA 22 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1wz3 s ALA 22 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 1wz3 s ALA 22 CO 0.00 -0.23 1.37 -1.25 0.00 0.00 0.00 175.76 175.65 1wz3 s PRO 23 N -3.17 4.02 0.12 0.00 0.04 -1.26 -4.63 135.00 130.12 1wz3 s PRO 23 Ca 0.66 2.31 -0.22 0.00 0.04 0.00 0.00 61.00 63.78 1wz3 s PRO 23 Cb -0.15 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.47 1wz3 s PRO 23 CO 0.19 -0.51 0.66 0.42 0.04 0.00 0.00 177.00 177.81 1wz3 s ILE 24 N -1.20 4.58 -0.04 0.56 1.01 -1.26 -4.80 121.20 120.05 1wz3 s ILE 24 Ca 0.55 1.42 -0.09 0.00 0.00 0.00 0.00 60.65 62.53 1wz3 s ILE 24 Cb -0.41 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1wz3 s ILE 24 CO 0.54 0.52 0.25 -0.76 0.00 0.00 0.00 174.94 175.50 1wz3 s LEU 25 N -1.17 4.40 0.08 2.97 1.43 -1.26 -5.01 118.68 120.13 1wz3 s LEU 25 Ca 0.32 0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 53.77 1wz3 s LEU 25 Cb -0.21 -2.42 -0.16 0.00 0.03 0.00 0.00 46.19 43.43 1wz3 s LEU 25 CO 0.22 0.33 1.67 0.50 0.23 0.00 0.00 176.35 179.31 1wz3 h LYS 26 N 4.56 -0.48 -4.75 1.70 3.64 -2.01 -3.36 116.57 115.87 1wz3 h LYS 26 Ca -0.52 0.03 -0.69 0.00 -1.27 0.00 0.00 60.65 58.20 1wz3 h LYS 26 Cb 1.22 0.11 -0.28 0.00 -0.41 0.00 0.00 32.23 32.86 1wz3 h LYS 26 CO 0.62 -0.32 -0.63 -1.14 -2.27 0.00 0.00 179.45 175.70 1wz3 s GLN 27 N -6.11 2.78 0.00 1.90 2.00 -1.26 -4.93 119.66 114.03 1wz3 s GLN 27 Ca -0.16 -1.06 0.09 0.00 -2.00 0.00 0.00 55.36 52.23 1wz3 s GLN 27 Cb 0.05 -3.37 0.23 0.00 0.80 0.00 0.00 33.01 30.73 1wz3 s GLN 27 CO 0.64 -0.57 1.15 0.43 -0.50 0.00 0.00 175.29 176.45 1wz3 n SER 28 N 4.80 2.64 -4.51 6.67 7.64 -1.26 -4.96 113.62 124.64 1wz3 n SER 28 Ca -0.14 -1.90 -0.34 0.00 1.01 0.00 0.00 58.87 57.50 1wz3 n SER 28 Cb 0.46 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1wz3 n SER 28 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1wz3 s LYS 29 N -0.97 3.70 0.05 1.43 3.01 -1.26 0.05 119.74 125.75 1wz3 s LYS 29 Ca 0.19 -0.50 -0.00 0.00 -1.01 0.00 0.00 55.97 54.64 1wz3 s LYS 29 Cb 0.10 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.92 1wz3 s LYS 29 CO 0.13 0.23 -0.04 -0.06 0.51 0.00 0.00 175.35 176.12 1wz3 s PHE 30 N 0.42 0.55 -0.23 3.18 0.40 -0.41 -4.98 117.98 116.90 1wz3 s PHE 30 Ca -0.03 -0.95 -0.06 0.00 -0.60 0.00 0.00 56.93 55.30 1wz3 s PHE 30 Cb -0.14 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.99 1wz3 s PHE 30 CO 0.03 -0.31 0.02 0.15 0.70 0.00 0.00 175.22 175.81 1wz3 s LYS 31 N -3.47 3.56 0.01 0.44 1.02 -1.26 0.27 119.74 120.32 1wz3 s LYS 31 Ca 0.04 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 55.57 1wz3 s LYS 31 Cb 0.04 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.15 1wz3 s LYS 31 CO -0.08 -0.15 -0.22 0.08 -0.92 0.00 0.00 175.35 174.07 1wz3 s VAL 32 N 1.44 1.74 0.12 3.17 1.01 0.49 -4.88 120.40 123.49 1wz3 s VAL 32 Ca 0.05 -1.09 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1wz3 s VAL 32 Cb -0.15 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 1wz3 s VAL 32 CO 0.01 0.36 1.59 -0.44 0.00 0.00 0.00 175.10 176.63 1wz3 s SER 33 N -0.86 6.61 0.52 3.32 0.01 -1.26 0.79 113.70 122.83 1wz3 s SER 33 Ca 0.08 2.53 0.23 0.00 1.31 0.00 0.00 55.95 60.11 1wz3 s SER 33 Cb -0.09 -2.58 1.33 0.00 0.21 0.00 0.00 66.02 64.90 1wz3 s SER 33 CO 0.01 -0.84 2.01 1.23 0.41 0.00 0.00 173.24 176.05 1wz3 h GLY 34 N 7.61 0.09 2.00 3.44 0.00 -1.62 -0.28 103.07 114.31 1wz3 h GLY 34 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1wz3 h GLY 34 CO 0.92 0.01 0.00 -1.14 0.00 0.00 0.00 176.54 176.33 1wz3 n SER 35 N -4.41 0.54 -4.77 0.19 3.41 -1.26 -4.81 113.62 102.51 1wz3 n SER 35 Ca 0.09 0.62 -0.36 0.00 -0.26 0.00 0.00 58.87 58.96 1wz3 n SER 35 Cb 0.52 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.72 1wz3 n SER 35 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wz3 s ASP 36 N -4.00 6.08 0.46 4.04 1.11 -0.12 -5.02 116.67 119.23 1wz3 s ASP 36 Ca 0.05 2.24 -0.20 0.00 0.18 0.00 0.00 52.55 54.82 1wz3 s ASP 36 Cb 0.10 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.40 1wz3 s ASP 36 CO 0.38 -0.98 1.00 -0.54 1.18 0.00 0.00 175.17 176.21 1wz3 s LYS 37 N -2.88 3.99 0.60 8.23 -0.14 -1.26 -4.91 119.74 123.37 1wz3 s LYS 37 Ca 0.66 1.24 0.32 0.00 -1.36 0.00 0.00 55.97 56.84 1wz3 s LYS 37 Cb -0.26 -2.13 1.92 0.00 -1.68 0.00 0.00 37.83 35.67 1wz3 s LYS 37 CO 0.31 -0.25 2.27 0.35 -0.76 0.00 0.00 175.35 177.27 1wz3 h PHE 38 N 1.69 0.00 -0.78 3.18 3.57 -1.96 -1.52 116.94 121.12 1wz3 h PHE 38 Ca -0.49 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.22 1wz3 h PHE 38 Cb 1.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1wz3 h PHE 38 CO 0.59 0.00 0.55 0.00 -2.23 0.00 0.00 178.31 177.22 1wz3 h ALA 39 N 1.98 2.56 -0.45 2.41 0.00 -1.99 0.58 119.26 124.35 1wz3 h ALA 39 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1wz3 h ALA 39 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1wz3 h ALA 39 CO -0.00 -0.79 -0.03 -0.91 0.00 0.00 0.00 179.25 177.52 1wz3 h ASN 40 N 0.11 0.74 -0.20 0.00 2.35 -1.65 0.66 115.58 117.60 1wz3 h ASN 40 Ca 0.38 -0.19 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1wz3 h ASN 40 Cb 1.33 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 1wz3 h ASN 40 CO -0.05 0.83 -0.28 0.58 -1.65 0.00 0.00 177.43 176.86 1wz3 h VAL 41 N 0.71 1.33 -0.18 2.81 2.07 -1.07 -1.33 116.25 120.60 1wz3 h VAL 41 Ca 0.13 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.18 1wz3 h VAL 41 Cb 0.49 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1wz3 h VAL 41 CO 0.02 0.45 0.10 0.40 0.02 0.00 0.00 177.57 178.56 1wz3 h ILE 42 N 0.21 1.01 -0.63 4.57 2.04 -1.22 -2.18 117.51 121.30 1wz3 h ILE 42 Ca 0.02 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1wz3 h ILE 42 Cb 0.85 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1wz3 h ILE 42 CO 0.06 0.04 0.24 0.44 0.00 0.00 0.00 178.15 178.93 1wz3 h ASP 43 N 0.20 0.85 -0.08 1.72 3.32 -0.85 -1.27 116.42 120.32 1wz3 h ASP 43 Ca 0.07 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1wz3 h ASP 43 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1wz3 h ASP 43 CO -0.04 0.77 0.03 0.15 -1.72 0.00 0.00 179.24 178.44 1wz3 h PHE 44 N 0.91 0.06 -0.23 4.55 3.57 -0.89 -0.27 116.94 124.64 1wz3 h PHE 44 Ca 0.21 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1wz3 h PHE 44 Cb 0.20 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1wz3 h PHE 44 CO 0.01 0.04 0.08 -0.07 -2.23 0.00 0.00 178.31 176.14 1wz3 h LEU 45 N 0.08 0.33 -1.02 0.59 3.38 -1.13 -0.05 115.31 117.48 1wz3 h LEU 45 Ca 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1wz3 h LEU 45 Cb 0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1wz3 h LEU 45 CO -0.03 0.43 0.46 0.03 0.09 0.00 0.00 178.44 179.43 1wz3 h ARG 46 N 0.22 1.15 0.09 1.13 2.47 -1.13 -0.38 114.38 117.92 1wz3 h ARG 46 Ca 0.08 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1wz3 h ARG 46 Cb 0.21 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1wz3 h ARG 46 CO -0.00 0.83 -0.04 0.00 0.56 0.00 0.00 179.97 181.31 1wz3 h ARG 47 N 1.16 -0.12 -0.03 0.04 2.47 -0.87 -2.31 114.38 114.73 1wz3 h ARG 47 Ca 0.29 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.94 1wz3 h ARG 47 Cb 0.01 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1wz3 h ARG 47 CO -0.05 0.39 -0.39 1.96 0.56 0.00 0.00 179.97 182.44 1wz3 h GLN 48 N -0.72 0.06 -0.64 0.04 1.08 -0.96 -3.11 115.11 110.87 1wz3 h GLN 48 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1wz3 h GLN 48 Cb 0.56 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1wz3 h GLN 48 CO 0.02 0.44 0.00 1.28 -0.95 0.00 0.00 178.83 179.62 1wz3 n LEU 49 N -4.07 3.76 -3.84 1.46 4.77 -0.16 -5.00 117.00 113.92 1wz3 n LEU 49 Ca -0.02 -1.95 -0.27 0.00 -0.03 0.00 0.00 56.01 53.75 1wz3 n LEU 49 Cb 0.43 -0.43 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1wz3 n LEU 49 CO 0.40 0.93 0.01 1.41 -1.33 0.00 0.00 177.39 178.80 1wz3 n HIS 50 N 1.47 -2.08 -3.73 -1.77 8.25 -0.93 -4.99 115.22 111.43 1wz3 n HIS 50 Ca 0.22 0.87 -0.12 0.00 -0.26 0.00 0.00 57.72 58.43 1wz3 n HIS 50 Cb 0.59 -4.09 -0.12 0.00 1.12 0.00 0.00 29.99 27.48 1wz3 n HIS 50 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wz3 s SER 51 N -3.81 -0.31 0.10 0.41 0.15 -0.91 -5.01 113.70 104.32 1wz3 s SER 51 Ca 0.36 0.59 0.25 0.00 0.70 0.00 0.00 55.95 57.84 1wz3 s SER 51 Cb -0.18 0.49 0.43 0.00 -1.71 0.00 0.00 66.02 65.05 1wz3 s SER 51 CO 0.83 -0.16 1.38 0.47 1.20 0.00 0.00 173.24 176.96 1wz3 n ASP 52 N 4.04 0.65 -0.85 5.45 8.00 -1.26 -4.19 116.55 128.39 1wz3 n ASP 52 Ca -0.23 0.10 0.06 0.00 0.71 0.00 0.00 54.79 55.43 1wz3 n ASP 52 Cb 0.54 0.10 0.23 0.00 -0.02 0.00 0.00 41.12 41.97 1wz3 n ASP 52 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1wz3 n SER 53 N -2.01 3.33 -4.77 -2.24 3.41 -1.26 -5.02 113.62 105.06 1wz3 n SER 53 Ca 0.04 -3.22 -0.40 0.00 -0.26 0.00 0.00 58.87 55.03 1wz3 n SER 53 Cb 0.42 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1wz3 n SER 53 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1wz3 s LEU 54 N -2.94 4.39 -0.07 1.04 2.96 -1.26 -4.98 118.68 117.82 1wz3 s LEU 54 Ca 0.41 2.61 -0.26 0.00 -0.22 0.00 0.00 54.13 56.67 1wz3 s LEU 54 Cb 0.35 -3.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1wz3 s LEU 54 CO 0.06 -0.55 0.83 -0.36 -1.32 0.00 0.00 176.35 175.01 1wz3 s PHE 55 N -1.19 3.56 -0.25 5.38 0.08 -1.26 -5.02 117.98 119.28 1wz3 s PHE 55 Ca 0.50 1.41 0.02 0.00 0.12 0.00 0.00 56.93 58.97 1wz3 s PHE 55 Cb -0.38 -2.97 0.07 0.00 -0.57 0.00 0.00 43.02 39.16 1wz3 s PHE 55 CO 0.50 -0.04 -0.05 0.08 -0.10 0.00 0.00 175.22 175.60 1wz3 s VAL 56 N 1.26 1.75 0.18 -0.44 1.01 -1.26 -5.08 120.40 117.83 1wz3 s VAL 56 Ca 0.43 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1wz3 s VAL 56 Cb -0.18 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1wz3 s VAL 56 CO 0.20 -0.15 -0.02 -0.72 0.00 0.00 0.00 175.10 174.41 1wz3 s TYR 57 N 1.28 1.29 0.18 5.22 -0.85 -1.26 -5.13 117.35 118.08 1wz3 s TYR 57 Ca -0.05 -0.96 0.09 0.00 -0.52 0.00 0.00 57.07 55.64 1wz3 s TYR 57 Cb -0.19 -0.73 -0.04 0.00 0.38 0.00 0.00 41.96 41.37 1wz3 s TYR 57 CO -0.07 -0.13 -0.18 0.08 -1.52 0.00 0.00 175.55 173.74 1wz3 s VAL 58 N -3.55 1.89 -0.13 -3.49 1.01 -1.26 -5.10 120.40 109.77 1wz3 s VAL 58 Ca 0.24 -2.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.07 1wz3 s VAL 58 Cb 0.05 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 1wz3 s VAL 58 CO 0.04 -0.36 0.26 0.20 0.00 0.00 0.00 175.10 175.25 1wz3 s ASN 59 N -2.86 6.47 0.05 3.32 0.01 -1.26 -5.08 114.94 115.59 1wz3 s ASN 59 Ca 0.18 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.89 1wz3 s ASN 59 Cb -0.05 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.45 1wz3 s ASN 59 CO 0.08 0.21 0.03 -0.24 -1.51 0.00 0.00 177.10 175.67 1wz3 n SER 60 N 2.92 1.29 -3.73 -1.22 2.88 -1.26 -5.16 113.62 109.35 1wz3 n SER 60 Ca -0.14 -1.19 -0.12 0.00 -1.33 0.00 0.00 58.87 56.08 1wz3 n SER 60 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.91 1wz3 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wz3 s ALA 61 N -2.08 -0.81 0.03 -1.46 0.00 -1.26 -5.17 121.76 111.01 1wz3 s ALA 61 Ca 0.03 0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.98 1wz3 s ALA 61 Cb -0.00 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.41 1wz3 s ALA 61 CO 0.02 -0.38 0.46 -0.59 0.00 0.00 0.00 175.76 175.26 1wz3 s PHE 62 N -2.16 -0.34 -0.34 0.00 -0.12 -1.26 -5.13 117.98 108.64 1wz3 s PHE 62 Ca -0.08 0.38 -0.15 0.00 -0.05 0.00 0.00 56.93 57.04 1wz3 s PHE 62 Cb -0.02 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 1wz3 s PHE 62 CO -0.01 -0.58 0.36 -1.12 -0.05 0.00 0.00 175.22 173.83 1wz3 s SER 63 N -1.84 6.18 0.64 1.98 0.01 -1.26 -5.06 113.70 114.35 1wz3 s SER 63 Ca -0.07 -0.19 -0.18 0.00 1.31 0.00 0.00 55.95 56.82 1wz3 s SER 63 Cb -0.01 -2.20 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 1wz3 s SER 63 CO -0.00 -0.32 1.29 -2.84 0.41 0.00 0.00 173.24 171.78 1wz3 s PRO 64 N 2.02 2.57 0.46 12.44 0.02 -1.26 -4.98 135.00 146.27 1wz3 s PRO 64 Ca 0.12 2.06 -0.21 0.00 0.02 0.00 0.00 61.00 63.00 1wz3 s PRO 64 Cb -0.16 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.41 1wz3 s PRO 64 CO 0.12 -1.58 1.01 -0.80 -0.33 0.00 0.00 177.00 175.41 1wz3 s ASN 65 N -1.39 6.59 0.42 2.53 0.01 -1.26 -4.95 114.94 116.90 1wz3 s ASN 65 Ca 0.82 1.86 0.16 0.00 -0.71 0.00 0.00 52.86 54.99 1wz3 s ASN 65 Cb -0.38 -2.56 1.04 0.00 0.41 0.00 0.00 41.25 39.77 1wz3 s ASN 65 CO 0.40 -0.60 1.90 -0.65 -1.51 0.00 0.00 177.10 176.63 1wz3 h PRO 66 N 1.78 0.42 -0.00 -0.60 0.11 -2.05 -1.81 132.00 129.85 1wz3 h PRO 66 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wz3 h PRO 66 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1wz3 h PRO 66 CO 0.60 0.28 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.22 1wz3 n ASP 67 N -4.49 0.17 -4.77 -2.05 5.75 -1.26 -4.87 116.55 105.02 1wz3 n ASP 67 Ca 0.16 -0.28 -0.38 0.00 -0.01 0.00 0.00 54.79 54.28 1wz3 n ASP 67 Cb 0.57 -0.20 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 1wz3 n ASP 67 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1wz3 s GLU 68 N -2.56 3.97 0.32 0.11 2.02 -0.68 -5.01 118.70 116.87 1wz3 s GLU 68 Ca 0.28 1.85 -0.16 0.00 0.02 0.00 0.00 54.97 56.95 1wz3 s GLU 68 Cb 0.20 -2.61 -0.09 0.00 0.10 0.00 0.00 34.13 31.73 1wz3 s GLU 68 CO 0.47 -0.39 0.76 -1.54 0.02 0.00 0.00 175.26 174.58 1wz3 s SER 69 N -1.16 6.84 0.21 -0.19 1.04 -1.26 -4.97 113.70 114.21 1wz3 s SER 69 Ca 0.59 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 1wz3 s SER 69 Cb -0.31 -2.40 0.16 0.00 0.10 0.00 0.00 66.02 63.57 1wz3 s SER 69 CO 0.38 -0.19 1.83 0.58 0.98 0.00 0.00 173.24 176.82 1wz3 h VAL 70 N 2.07 1.23 -0.58 5.02 2.07 -1.98 -2.38 116.25 121.70 1wz3 h VAL 70 Ca -0.48 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.49 1wz3 h VAL 70 Cb 1.18 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1wz3 h VAL 70 CO 0.65 0.26 0.35 -0.29 0.02 0.00 0.00 177.57 178.55 1wz3 h ILE 71 N 1.07 1.06 -0.35 4.57 6.09 -1.99 0.27 117.51 128.24 1wz3 h ILE 71 Ca 0.27 -0.24 -0.05 0.00 -1.37 0.00 0.00 64.86 63.47 1wz3 h ILE 71 Cb 0.03 0.31 -0.01 0.00 0.47 0.00 0.00 36.82 37.62 1wz3 h ILE 71 CO -0.04 0.13 0.01 0.44 -3.07 0.00 0.00 178.15 175.61 1wz3 h ASP 72 N 0.69 0.60 -0.92 2.19 3.32 -1.92 0.39 116.42 120.76 1wz3 h ASP 72 Ca 0.23 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1wz3 h ASP 72 Cb 0.03 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1wz3 h ASP 72 CO -0.10 0.76 0.60 -0.07 -1.72 0.00 0.00 179.24 178.70 1wz3 h LEU 73 N 0.42 0.99 -0.20 1.55 3.38 -1.10 0.16 115.31 120.52 1wz3 h LEU 73 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1wz3 h LEU 73 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1wz3 h LEU 73 CO 0.02 0.67 -0.01 0.22 0.09 0.00 0.00 178.44 179.43 1wz3 h TYR 74 N 1.15 0.39 -0.62 1.13 3.20 -0.68 0.11 116.97 121.65 1wz3 h TYR 74 Ca 0.37 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 62.11 1wz3 h TYR 74 Cb 0.02 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1wz3 h TYR 74 CO -0.01 0.56 0.16 -0.91 -1.64 0.00 0.00 178.16 176.32 1wz3 h ASN 75 N 0.10 0.90 0.07 -2.11 2.35 -0.47 0.55 115.58 116.98 1wz3 h ASN 75 Ca 0.05 -0.17 -0.18 0.00 -0.55 0.00 0.00 56.30 55.45 1wz3 h ASN 75 Cb 0.42 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 38.57 1wz3 h ASN 75 CO 0.01 0.87 -0.75 0.78 -1.65 0.00 0.00 177.43 176.69 1wz3 h ASN 76 N 0.92 0.54 0.00 5.81 2.35 -0.62 -3.40 115.58 121.18 1wz3 h ASN 76 Ca 0.20 -0.85 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1wz3 h ASN 76 Cb 0.32 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1wz3 h ASN 76 CO -0.00 1.33 -0.05 0.49 -1.65 0.00 0.00 177.43 177.55 1wz3 n PHE 77 N -4.14 0.00 -1.66 1.19 3.72 0.38 -5.09 117.46 111.86 1wz3 n PHE 77 Ca -0.12 -0.37 -0.35 0.00 -0.05 0.00 0.00 57.45 56.56 1wz3 n PHE 77 Cb 0.76 -0.05 0.07 0.00 -0.94 0.00 0.00 39.48 39.33 1wz3 n PHE 77 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1wz3 s GLY 78 N -0.96 2.49 -0.04 1.37 0.00 0.19 -4.83 107.32 105.55 1wz3 s GLY 78 Ca 0.05 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1wz3 s GLY 78 CO 0.00 1.32 -0.02 -1.36 0.00 0.00 0.00 173.10 173.05 1wz3 s PHE 79 N -1.84 0.53 -1.16 1.90 0.08 0.31 -4.91 117.98 112.89 1wz3 s PHE 79 Ca 0.75 -0.10 -0.27 0.00 0.12 0.00 0.00 56.93 57.44 1wz3 s PHE 79 Cb -0.30 -0.56 0.02 0.00 -0.57 0.00 0.00 43.02 41.61 1wz3 s PHE 79 CO 0.41 -0.18 0.73 -0.40 -0.10 0.00 0.00 175.22 175.69 1wz3 n ASP 80 N 4.22 -4.79 -0.62 1.36 3.85 -1.26 -1.83 116.55 117.48 1wz3 n ASP 80 Ca -0.23 -1.14 -0.08 0.00 -0.71 0.00 0.00 54.79 52.62 1wz3 n ASP 80 Cb 0.50 -2.50 -0.03 0.00 -1.35 0.00 0.00 41.12 37.74 1wz3 n ASP 80 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wz3 n GLY 81 N -1.88 0.97 3.64 6.12 0.00 -1.26 -4.99 105.19 107.79 1wz3 n GLY 81 Ca -0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1wz3 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wz3 s LYS 82 N -2.44 1.54 -0.27 1.61 -2.85 -0.76 -5.13 119.74 111.43 1wz3 s LYS 82 Ca 0.00 -0.85 -0.04 0.00 -1.00 0.00 0.00 55.97 54.07 1wz3 s LYS 82 Cb 0.00 0.57 0.02 0.00 -2.06 0.00 0.00 37.83 36.36 1wz3 s LYS 82 CO 0.00 -0.68 0.02 -1.17 0.10 0.00 0.00 175.35 173.62 1wz3 s LEU 83 N -2.87 3.55 -0.27 2.77 2.96 -1.26 0.11 118.68 123.66 1wz3 s LEU 83 Ca 0.09 -0.77 -0.19 0.00 -0.22 0.00 0.00 54.13 53.04 1wz3 s LEU 83 Cb -0.03 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 1wz3 s LEU 83 CO -0.00 -0.16 0.57 -0.69 -1.32 0.00 0.00 176.35 174.75 1wz3 s VAL 84 N 1.42 5.01 -0.32 1.68 1.01 -1.26 -5.01 120.40 122.93 1wz3 s VAL 84 Ca 0.02 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 1wz3 s VAL 84 Cb -0.17 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1wz3 s VAL 84 CO -0.01 -0.00 0.12 -0.69 0.00 0.00 0.00 175.10 174.52 1wz3 s VAL 85 N 2.44 4.08 0.27 2.92 1.01 -1.26 -5.08 120.40 124.77 1wz3 s VAL 85 Ca 0.23 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1wz3 s VAL 85 Cb -0.15 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 1wz3 s VAL 85 CO 0.10 -0.06 0.68 0.20 0.00 0.00 0.00 175.10 176.03 1wz3 s ASN 86 N 1.49 6.81 0.01 3.32 0.01 -1.26 -5.09 114.94 120.23 1wz3 s ASN 86 Ca 0.01 1.23 -0.10 0.00 -0.71 0.00 0.00 52.86 53.29 1wz3 s ASN 86 Cb -0.18 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1wz3 s ASN 86 CO 0.04 -0.11 0.20 -0.72 -1.51 0.00 0.00 177.10 175.00 1wz3 s TYR 87 N -1.81 -0.01 0.03 2.20 -0.85 -1.26 -5.16 117.35 110.48 1wz3 s TYR 87 Ca 0.49 -0.07 -0.23 0.00 -0.52 0.00 0.00 57.07 56.74 1wz3 s TYR 87 Cb -0.12 -0.00 0.05 0.00 0.38 0.00 0.00 41.96 42.27 1wz3 s TYR 87 CO 0.19 -0.36 0.53 0.00 -1.52 0.00 0.00 175.55 174.39 1wz3 s ALA 88 N -1.72 -1.34 -0.71 9.51 0.00 -1.26 -5.02 121.76 121.22 1wz3 s ALA 88 Ca -0.12 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.73 1wz3 s ALA 88 Cb -0.05 0.33 0.05 0.00 0.00 0.00 0.00 23.12 23.44 1wz3 s ALA 88 CO 0.01 -0.48 1.04 0.00 0.00 0.00 0.00 175.76 176.33 1wz3 s SER 90 N -3.66 -0.68 0.19 0.00 0.15 -1.26 -5.16 113.70 103.28 1wz3 s SER 90 Ca 0.05 1.15 -0.23 0.00 0.70 0.00 0.00 55.95 57.63 1wz3 s SER 90 Cb 0.15 1.10 -0.08 0.00 -1.71 0.00 0.00 66.02 65.48 1wz3 s SER 90 CO 0.80 -0.21 0.75 -0.04 1.20 0.00 0.00 173.24 175.74 1wz3 s MET 91 N 1.63 4.41 -0.20 5.44 1.00 -1.26 -5.04 119.30 125.28 1wz3 s MET 91 Ca -0.09 1.01 -0.09 0.00 0.00 0.00 0.00 55.69 56.53 1wz3 s MET 91 Cb -0.08 -3.08 0.08 0.00 0.00 0.00 0.00 34.83 31.75 1wz3 s MET 91 CO -0.16 0.49 0.45 0.00 0.00 0.00 0.00 175.02 175.81 1wz3 s ALA 92 N -1.32 -1.23 -0.10 3.03 0.00 -1.26 -5.19 121.76 115.68 1wz3 s ALA 92 Ca 0.39 1.65 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1wz3 s ALA 92 Cb -0.20 -1.21 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1wz3 s ALA 92 CO 0.23 -0.54 0.02 1.87 0.00 0.00 0.00 175.76 177.35