#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 4.04 -0.11 3.69 2.47 -1.26 -0.47 119.74 128.10 1wz3 s LYS 11 Ca 0.00 -0.19 -0.02 0.00 -1.56 0.00 0.00 55.97 54.20 1wz3 s LYS 11 Cb 0.00 -3.37 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1wz3 s LYS 11 CO 0.00 0.40 -0.03 0.42 0.16 0.00 0.00 175.35 176.29 1wz3 s ILE 12 N 0.08 3.97 -0.18 5.43 -1.09 0.22 -4.86 121.20 124.77 1wz3 s ILE 12 Ca 0.10 -0.36 -0.26 0.00 -2.23 0.00 0.00 60.65 57.90 1wz3 s ILE 12 Cb -0.11 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1wz3 s ILE 12 CO -0.01 0.56 0.86 -0.69 -1.23 0.00 0.00 174.94 174.43 1wz3 s VAL 13 N -0.37 4.85 -0.15 2.92 1.01 -1.26 -0.92 120.40 126.49 1wz3 s VAL 13 Ca 0.06 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1wz3 s VAL 13 Cb -0.12 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1wz3 s VAL 13 CO 0.02 -0.00 -0.17 -0.69 0.00 0.00 0.00 175.10 174.27 1wz3 s VAL 14 N 2.29 2.57 -0.19 2.92 1.01 0.74 -4.99 120.40 124.75 1wz3 s VAL 14 Ca 0.39 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1wz3 s VAL 14 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1wz3 s VAL 14 CO 0.12 0.52 -0.04 -1.00 0.00 0.00 0.00 175.10 174.70 1wz3 s HIS 15 N 0.73 2.97 -0.19 5.22 3.76 -1.26 -0.79 115.29 125.73 1wz3 s HIS 15 Ca -0.07 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 53.99 1wz3 s HIS 15 Cb -0.16 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1wz3 s HIS 15 CO 0.01 -0.34 0.52 -0.51 -0.85 0.00 0.00 174.74 173.57 1wz3 s LEU 16 N 1.05 4.16 -0.20 0.89 1.43 0.84 -5.02 118.68 121.82 1wz3 s LEU 16 Ca 0.01 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1wz3 s LEU 16 Cb -0.15 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.38 1wz3 s LEU 16 CO 0.00 -0.16 -0.16 -0.60 0.23 0.00 0.00 176.35 175.66 1wz3 s ARG 17 N 1.52 2.65 0.28 1.70 3.52 -1.26 -4.83 118.95 122.53 1wz3 s ARG 17 Ca 0.25 -0.95 -0.29 0.00 -0.13 0.00 0.00 55.73 54.60 1wz3 s ARG 17 Cb -0.15 -2.61 -0.10 0.00 -1.56 0.00 0.00 34.95 30.53 1wz3 s ARG 17 CO 0.10 -0.33 1.09 0.00 -0.81 0.00 0.00 175.30 175.35 1wz3 s ALA 18 N 1.26 3.40 0.20 6.12 0.00 -1.26 -5.05 121.76 126.44 1wz3 s ALA 18 Ca 0.01 0.89 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1wz3 s ALA 18 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1wz3 s ALA 18 CO -0.10 -0.14 0.14 0.95 0.00 0.00 0.00 175.76 176.60 1wz3 s THR 19 N -1.15 0.00 -1.56 0.00 -4.23 -1.26 -4.89 115.64 102.55 1wz3 s THR 19 Ca 0.44 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1wz3 s THR 19 Cb -0.32 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1wz3 s THR 19 CO 0.41 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1wz3 n GLY 20 N -0.27 -0.41 2.17 3.99 0.00 -1.26 -1.78 105.19 107.62 1wz3 n GLY 20 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.92 0.51 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.24 1wz3 n GLY 21 Ca -0.21 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.93 2.29 0.31 4.61 0.00 -0.74 -4.94 121.76 121.35 1wz3 s ALA 22 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1wz3 s ALA 22 Cb 0.00 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1wz3 s ALA 22 CO 0.00 -1.62 1.60 -2.14 0.00 0.00 0.00 175.76 173.59 1wz3 s PRO 23 N -4.47 4.10 0.02 0.00 0.02 -1.26 -4.71 135.00 128.70 1wz3 s PRO 23 Ca 0.65 2.61 -0.24 0.00 0.02 0.00 0.00 61.00 64.04 1wz3 s PRO 23 Cb -0.20 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 1wz3 s PRO 23 CO 0.49 -0.64 0.72 0.42 -0.33 0.00 0.00 177.00 177.65 1wz3 s ILE 24 N -0.14 4.82 -0.10 2.83 1.01 -1.26 -4.80 121.20 123.56 1wz3 s ILE 24 Ca 0.62 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.66 1wz3 s ILE 24 Cb -0.48 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1wz3 s ILE 24 CO 0.50 0.36 0.29 -0.76 0.00 0.00 0.00 174.94 175.33 1wz3 s LEU 25 N 0.06 4.35 0.19 2.97 1.43 -1.26 -4.98 118.68 121.44 1wz3 s LEU 25 Ca 0.37 0.64 -0.13 0.00 -1.03 0.00 0.00 54.13 53.98 1wz3 s LEU 25 Cb -0.20 -2.36 0.10 0.00 0.03 0.00 0.00 46.19 43.76 1wz3 s LEU 25 CO 0.21 0.25 1.85 0.50 0.23 0.00 0.00 176.35 179.39 1wz3 h LYS 26 N 5.62 0.80 -4.01 1.70 3.64 -2.01 -3.32 116.57 118.98 1wz3 h LYS 26 Ca -0.48 -0.05 -0.76 0.00 -1.27 0.00 0.00 60.65 58.09 1wz3 h LYS 26 Cb 1.20 -0.18 -0.25 0.00 -0.41 0.00 0.00 32.23 32.58 1wz3 h LYS 26 CO 0.67 0.53 -0.14 -0.65 -2.27 0.00 0.00 179.45 177.59 1wz3 s GLN 27 N -6.14 3.12 0.00 1.90 -0.21 -1.26 -4.85 119.66 112.22 1wz3 s GLN 27 Ca -0.13 -1.98 0.12 0.00 0.02 0.00 0.00 55.36 53.40 1wz3 s GLN 27 Cb 0.13 -4.29 0.02 0.00 1.00 0.00 0.00 33.01 29.88 1wz3 s GLN 27 CO 0.76 -1.30 0.76 0.43 -2.12 0.00 0.00 175.29 173.82 1wz3 n SER 28 N 4.76 1.54 -4.29 5.90 7.64 -1.25 -4.96 113.62 122.96 1wz3 n SER 28 Ca -0.04 -1.27 -0.33 0.00 1.01 0.00 0.00 58.87 58.24 1wz3 n SER 28 Cb 0.42 0.34 -0.15 0.00 -1.01 0.00 0.00 64.21 63.82 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 -1.41 3.27 0.18 1.43 1.02 -1.26 -0.11 119.74 122.86 1wz3 s LYS 29 Ca 0.11 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.39 1wz3 s LYS 29 Cb 0.10 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.69 1wz3 s LYS 29 CO 0.26 0.04 0.04 -0.06 -0.92 0.00 0.00 175.35 174.71 1wz3 s PHE 30 N 0.79 1.21 -0.10 3.18 0.40 0.03 -5.00 117.98 118.49 1wz3 s PHE 30 Ca -0.05 -1.11 0.02 0.00 -0.60 0.00 0.00 56.93 55.19 1wz3 s PHE 30 Cb -0.15 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.70 1wz3 s PHE 30 CO 0.01 -0.32 -0.16 -1.59 0.70 0.00 0.00 175.22 173.86 1wz3 s LYS 31 N -3.98 2.22 0.04 0.44 0.00 -1.26 -0.18 119.74 117.02 1wz3 s LYS 31 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 55.97 55.68 1wz3 s LYS 31 Cb 0.07 -1.84 -0.03 0.00 0.00 0.00 0.00 37.83 36.03 1wz3 s LYS 31 CO 0.06 -0.01 -0.04 0.54 0.00 0.00 0.00 175.35 175.90 1wz3 s VAL 32 N 0.82 0.30 0.23 1.79 0.11 -0.10 -4.90 120.40 118.66 1wz3 s VAL 32 Ca -0.10 -1.33 -0.31 0.00 -2.93 0.00 0.00 61.98 57.31 1wz3 s VAL 32 Cb -0.16 -0.87 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 1wz3 s VAL 32 CO 0.01 -0.67 1.54 -0.44 -3.33 0.00 0.00 175.10 172.21 1wz3 s SER 33 N -2.11 6.54 0.52 3.54 0.01 -1.26 0.71 113.70 121.66 1wz3 s SER 33 Ca -0.05 2.74 0.19 0.00 1.31 0.00 0.00 55.95 60.15 1wz3 s SER 33 Cb -0.03 -2.62 1.30 0.00 0.21 0.00 0.00 66.02 64.89 1wz3 s SER 33 CO -0.04 -0.81 2.09 1.23 0.41 0.00 0.00 173.24 176.12 1wz3 h GLY 34 N 5.59 0.02 2.00 3.44 0.00 -1.12 -1.03 103.07 111.97 1wz3 h GLY 34 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wz3 h GLY 34 CO 0.83 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.24 1wz3 n SER 35 N -4.48 0.67 -4.77 0.19 3.41 -1.26 -4.83 113.62 102.56 1wz3 n SER 35 Ca 0.02 0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 58.86 1wz3 n SER 35 Cb 0.27 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.45 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 -4.25 5.97 0.29 4.04 1.11 -0.39 -4.98 116.67 118.45 1wz3 s ASP 36 Ca 0.07 2.87 -0.26 0.00 0.18 0.00 0.00 52.55 55.40 1wz3 s ASP 36 Cb 0.10 -2.65 -0.09 0.00 1.07 0.00 0.00 42.92 41.35 1wz3 s ASP 36 CO 0.45 -1.11 0.92 -0.54 1.18 0.00 0.00 175.17 176.07 1wz3 s LYS 37 N -2.41 4.61 0.47 8.23 -0.14 -1.26 -4.91 119.74 124.33 1wz3 s LYS 37 Ca 0.60 1.31 0.27 0.00 -1.36 0.00 0.00 55.97 56.79 1wz3 s LYS 37 Cb -0.43 -2.93 1.47 0.00 -1.68 0.00 0.00 37.83 34.26 1wz3 s LYS 37 CO 0.55 0.35 1.80 0.35 -0.76 0.00 0.00 175.35 177.65 1wz3 h PHE 38 N 3.45 0.00 -0.33 3.18 3.57 -1.97 0.23 116.94 125.08 1wz3 h PHE 38 Ca -0.46 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.11 1wz3 h PHE 38 Cb 1.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1wz3 h PHE 38 CO 0.62 0.00 0.23 0.00 -2.23 0.00 0.00 178.31 176.93 1wz3 h ALA 39 N 1.70 2.19 -0.68 2.41 0.00 -1.99 -1.02 119.26 121.86 1wz3 h ALA 39 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1wz3 h ALA 39 Cb 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1wz3 h ALA 39 CO 0.00 -0.27 0.15 -0.91 0.00 0.00 0.00 179.25 178.22 1wz3 h ASN 40 N 0.10 1.04 -0.23 0.00 -0.26 -1.33 0.15 115.58 115.05 1wz3 h ASN 40 Ca 0.15 -0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.57 1wz3 h ASN 40 Cb 0.48 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1wz3 h ASN 40 CO -0.02 1.01 -0.19 0.58 -1.06 0.00 0.00 177.43 177.75 1wz3 h VAL 41 N 1.02 1.32 -0.44 2.81 2.07 -1.38 -1.38 116.25 120.27 1wz3 h VAL 41 Ca 0.21 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.41 1wz3 h VAL 41 Cb 0.39 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1wz3 h VAL 41 CO 0.00 0.41 0.25 0.40 0.02 0.00 0.00 177.57 178.66 1wz3 h ILE 42 N 0.23 1.04 -0.40 4.57 2.04 -1.22 -2.18 117.51 121.58 1wz3 h ILE 42 Ca 0.04 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1wz3 h ILE 42 Cb 0.73 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1wz3 h ILE 42 CO 0.05 0.09 -0.08 -0.78 0.00 0.00 0.00 178.15 177.44 1wz3 h ASP 43 N 0.51 0.66 -0.20 1.72 3.58 -0.90 -1.13 116.42 120.66 1wz3 h ASP 43 Ca 0.18 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1wz3 h ASP 43 Cb 0.02 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1wz3 h ASP 43 CO -0.09 0.78 0.09 0.15 -2.88 0.00 0.00 179.24 177.29 1wz3 h PHE 44 N 0.63 0.30 -0.63 0.28 3.57 -0.87 -1.95 116.94 118.28 1wz3 h PHE 44 Ca 0.12 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1wz3 h PHE 44 Cb 0.51 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1wz3 h PHE 44 CO 0.02 0.34 0.10 -0.07 -2.23 0.00 0.00 178.31 176.47 1wz3 h LEU 45 N 0.18 1.00 -1.18 0.59 3.38 -1.25 -0.74 115.31 117.29 1wz3 h LEU 45 Ca 0.07 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1wz3 h LEU 45 Cb 0.16 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1wz3 h LEU 45 CO -0.01 1.01 0.57 0.03 0.09 0.00 0.00 178.44 180.12 1wz3 h ARG 46 N 0.95 1.01 -0.08 1.13 3.08 -1.08 -0.22 114.38 119.18 1wz3 h ARG 46 Ca 0.19 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.96 1wz3 h ARG 46 Cb 0.43 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.27 1wz3 h ARG 46 CO 0.01 0.67 -0.79 0.00 -1.07 0.00 0.00 179.97 178.79 1wz3 h ARG 47 N 1.04 0.67 -0.36 0.04 3.08 -0.96 -0.42 114.38 117.47 1wz3 h ARG 47 Ca 0.35 -0.62 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 1wz3 h ARG 47 Cb 0.08 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1wz3 h ARG 47 CO -0.11 1.23 -0.22 1.96 -1.07 0.00 0.00 179.97 181.75 1wz3 h GLN 48 N 0.34 0.70 -0.01 0.04 1.08 -0.75 -3.14 115.11 113.37 1wz3 h GLN 48 Ca -0.08 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1wz3 h GLN 48 Cb 1.44 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.83 1wz3 h GLN 48 CO 0.16 0.86 -0.50 1.28 -0.95 0.00 0.00 178.83 179.68 1wz3 n LEU 49 N -4.12 1.64 -3.47 1.46 4.77 -0.13 -5.00 117.00 112.15 1wz3 n LEU 49 Ca 0.00 -0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 55.20 1wz3 n LEU 49 Cb 0.42 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1wz3 n LEU 49 CO 0.44 0.32 0.11 1.41 -1.33 0.00 0.00 177.39 178.33 1wz3 n HIS 50 N -0.39 -2.24 -3.83 -1.77 8.25 -0.24 -5.02 115.22 109.98 1wz3 n HIS 50 Ca 0.09 0.94 -0.12 0.00 -0.26 0.00 0.00 57.72 58.37 1wz3 n HIS 50 Cb 0.42 -5.02 -0.12 0.00 1.12 0.00 0.00 29.99 26.39 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 -4.25 -0.12 0.00 0.41 0.15 -0.78 -5.03 113.70 104.08 1wz3 s SER 51 Ca 0.06 0.19 0.23 0.00 0.70 0.00 0.00 55.95 57.13 1wz3 s SER 51 Cb -0.03 0.30 0.28 0.00 -1.71 0.00 0.00 66.02 64.85 1wz3 s SER 51 CO 0.74 -0.14 1.29 0.47 1.20 0.00 0.00 173.24 176.80 1wz3 n ASP 52 N 2.60 3.13 -2.52 5.45 8.00 -1.26 -4.46 116.55 127.48 1wz3 n ASP 52 Ca -0.15 -1.97 -0.15 0.00 0.71 0.00 0.00 54.79 53.22 1wz3 n ASP 52 Cb 0.58 -0.10 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1wz3 n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wz3 n SER 53 N 1.36 3.09 -4.85 -2.24 7.64 -1.26 -5.09 113.62 112.27 1wz3 n SER 53 Ca 0.16 -3.07 -0.32 0.00 1.01 0.00 0.00 58.87 56.65 1wz3 n SER 53 Cb 0.59 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1wz3 n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wz3 s LEU 54 N -3.47 3.71 -0.26 -3.43 1.43 -1.26 -5.04 118.68 110.36 1wz3 s LEU 54 Ca 0.38 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.81 1wz3 s LEU 54 Cb 0.41 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1wz3 s LEU 54 CO -0.05 -0.51 0.29 -0.36 0.23 0.00 0.00 176.35 175.95 1wz3 s PHE 55 N -2.51 3.27 -0.22 0.29 0.40 -1.26 -5.04 117.98 112.91 1wz3 s PHE 55 Ca 0.57 0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1wz3 s PHE 55 Cb -0.10 -2.46 0.06 0.00 0.51 0.00 0.00 43.02 41.03 1wz3 s PHE 55 CO 0.29 -0.13 -0.02 0.08 0.70 0.00 0.00 175.22 176.15 1wz3 s VAL 56 N 1.70 1.14 0.16 -0.44 1.01 -1.26 -5.08 120.40 117.63 1wz3 s VAL 56 Ca 0.12 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1wz3 s VAL 56 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1wz3 s VAL 56 CO 0.09 -0.16 0.05 -0.72 0.00 0.00 0.00 175.10 174.37 1wz3 s TYR 57 N 1.57 1.03 0.08 5.22 -0.85 -1.26 -5.13 117.35 118.02 1wz3 s TYR 57 Ca -0.04 -1.20 0.09 0.00 -0.52 0.00 0.00 57.07 55.41 1wz3 s TYR 57 Cb -0.18 -0.57 -0.03 0.00 0.38 0.00 0.00 41.96 41.55 1wz3 s TYR 57 CO -0.07 -0.45 -0.23 0.08 -1.52 0.00 0.00 175.55 173.36 1wz3 s VAL 58 N -3.95 1.93 0.42 -3.49 1.01 -1.26 -5.09 120.40 109.97 1wz3 s VAL 58 Ca 0.27 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.54 1wz3 s VAL 58 Cb 0.07 -1.70 -0.10 0.00 0.00 0.00 0.00 36.38 34.65 1wz3 s VAL 58 CO 0.04 0.13 0.97 0.20 0.00 0.00 0.00 175.10 176.44 1wz3 s ASN 59 N -1.64 6.90 -0.06 3.32 -0.87 -1.26 -5.06 114.94 116.27 1wz3 s ASN 59 Ca 0.10 1.79 0.00 0.00 -1.57 0.00 0.00 52.86 53.18 1wz3 s ASN 59 Cb -0.10 -2.55 0.02 0.00 -0.02 0.00 0.00 41.25 38.60 1wz3 s ASN 59 CO 0.04 -0.39 -0.04 -0.55 -2.57 0.00 0.00 177.10 173.58 1wz3 s SER 60 N -2.00 1.33 0.20 -1.22 0.15 -1.26 -5.14 113.70 105.77 1wz3 s SER 60 Ca 0.60 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.92 1wz3 s SER 60 Cb -0.13 -0.53 -0.08 0.00 -1.71 0.00 0.00 66.02 63.57 1wz3 s SER 60 CO 0.17 -0.09 0.67 0.00 1.20 0.00 0.00 173.24 175.19 1wz3 s ALA 61 N 1.26 3.46 0.01 5.45 0.00 -1.26 -5.08 121.76 125.60 1wz3 s ALA 61 Ca -0.05 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 1wz3 s ALA 61 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1wz3 s ALA 61 CO -0.02 0.37 0.36 -0.59 0.00 0.00 0.00 175.76 175.88 1wz3 s PHE 62 N -1.50 -0.22 -0.40 0.00 -0.12 -1.26 -5.13 117.98 109.36 1wz3 s PHE 62 Ca 0.41 0.24 -0.20 0.00 -0.05 0.00 0.00 56.93 57.34 1wz3 s PHE 62 Cb -0.16 0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.39 1wz3 s PHE 62 CO 0.20 -0.48 0.58 -1.12 -0.05 0.00 0.00 175.22 174.36 1wz3 s SER 63 N -1.66 6.32 0.69 1.98 0.01 -1.26 -5.05 113.70 114.74 1wz3 s SER 63 Ca -0.09 -0.21 -0.16 0.00 1.31 0.00 0.00 55.95 56.79 1wz3 s SER 63 Cb -0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wz3 s SER 63 CO 0.01 -0.64 1.07 -2.65 0.41 0.00 0.00 173.24 171.44 1wz3 n PRO 64 N 6.01 0.68 -1.95 12.44 -0.02 -1.26 -4.91 135.00 145.99 1wz3 n PRO 64 Ca -0.03 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 1wz3 n PRO 64 Cb 0.48 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1wz3 n PRO 64 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1wz3 s ASN 65 N -1.57 6.63 0.59 2.55 3.84 -1.26 -4.87 114.94 120.84 1wz3 s ASN 65 Ca 0.76 2.39 0.28 0.00 0.21 0.00 0.00 52.86 56.50 1wz3 s ASN 65 Cb -0.36 -2.55 1.66 0.00 -0.55 0.00 0.00 41.25 39.45 1wz3 s ASN 65 CO 0.47 -0.91 2.12 -0.65 -2.79 0.00 0.00 177.10 175.34 1wz3 h PRO 66 N 8.98 0.00 -0.00 0.43 0.11 -2.03 -1.00 132.00 138.49 1wz3 h PRO 66 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1wz3 h PRO 66 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wz3 h PRO 66 CO 0.94 0.00 -0.08 -3.47 -0.21 0.00 0.00 178.00 175.18 1wz3 n ASP 67 N -3.84 0.14 -4.78 -2.05 -0.08 -1.26 -4.85 116.55 99.82 1wz3 n ASP 67 Ca 0.01 0.07 -0.37 0.00 -1.51 0.00 0.00 54.79 52.99 1wz3 n ASP 67 Cb 0.30 -0.28 -0.06 0.00 2.34 0.00 0.00 41.12 43.41 1wz3 n ASP 67 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1wz3 s GLU 68 N -2.81 4.54 0.69 -0.67 2.12 -0.38 -5.04 118.70 117.16 1wz3 s GLU 68 Ca 0.20 1.22 -0.14 0.00 0.36 0.00 0.00 54.97 56.61 1wz3 s GLU 68 Cb 0.19 -2.94 0.02 0.00 0.26 0.00 0.00 34.13 31.66 1wz3 s GLU 68 CO 0.53 0.38 1.12 -1.54 -0.54 0.00 0.00 175.26 175.20 1wz3 s SER 69 N -1.51 4.86 0.23 -1.70 1.04 -1.26 -4.95 113.70 110.41 1wz3 s SER 69 Ca 0.45 2.02 -0.01 0.00 0.48 0.00 0.00 55.95 58.90 1wz3 s SER 69 Cb -0.20 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.60 1wz3 s SER 69 CO 0.25 -1.80 1.60 0.58 0.98 0.00 0.00 173.24 174.84 1wz3 h VAL 70 N -0.21 1.30 -0.84 5.02 2.07 -1.97 -2.91 116.25 118.70 1wz3 h VAL 70 Ca -0.46 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.45 1wz3 h VAL 70 Cb 1.25 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1wz3 h VAL 70 CO 0.53 0.50 0.46 -0.29 0.02 0.00 0.00 177.57 178.79 1wz3 h ILE 71 N 0.43 1.25 -0.42 4.57 6.09 -1.99 -0.29 117.51 127.15 1wz3 h ILE 71 Ca 0.03 -0.62 -0.05 0.00 -1.37 0.00 0.00 64.86 62.86 1wz3 h ILE 71 Cb 0.91 0.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.30 1wz3 h ILE 71 CO 0.08 0.28 0.08 0.44 -3.07 0.00 0.00 178.15 175.96 1wz3 h ASP 72 N 1.18 0.66 -0.09 2.19 3.32 -1.92 -0.26 116.42 121.49 1wz3 h ASP 72 Ca 0.30 -0.25 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1wz3 h ASP 72 Cb 0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1wz3 h ASP 72 CO -0.05 0.74 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.98 1wz3 h LEU 73 N 0.55 0.44 -0.42 1.55 3.38 -1.30 -1.55 115.31 117.95 1wz3 h LEU 73 Ca 0.13 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1wz3 h LEU 73 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1wz3 h LEU 73 CO 0.01 0.62 0.10 0.22 0.09 0.00 0.00 178.44 179.48 1wz3 h TYR 74 N 0.42 0.72 0.00 1.13 3.20 -0.69 0.22 116.97 121.97 1wz3 h TYR 74 Ca 0.07 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 1wz3 h TYR 74 Cb 0.52 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1wz3 h TYR 74 CO 0.02 0.67 -0.28 -0.91 -1.64 0.00 0.00 178.16 176.02 1wz3 h ASN 75 N 0.55 0.00 0.12 -2.11 2.35 -0.60 0.30 115.58 116.18 1wz3 h ASN 75 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1wz3 h ASN 75 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1wz3 h ASN 75 CO 0.00 0.28 -1.38 0.59 -1.65 0.00 0.00 177.43 175.27 1wz3 n ASN 76 N -3.98 0.53 0.00 5.81 3.02 -0.63 -4.69 115.26 115.33 1wz3 n ASN 76 Ca -0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1wz3 n ASN 76 Cb 0.35 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 40.83 1wz3 n ASN 76 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1wz3 n PHE 77 N -1.91 0.00 -1.34 3.10 3.01 0.77 -5.08 117.46 116.01 1wz3 n PHE 77 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 1wz3 n PHE 77 Cb 0.45 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.00 1wz3 n PHE 77 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1wz3 s GLY 78 N -0.07 1.66 -0.17 1.37 0.00 0.10 -4.75 107.32 105.47 1wz3 s GLY 78 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.70 1wz3 s GLY 78 CO 0.00 0.52 0.50 -0.12 0.00 0.00 0.00 173.10 174.00 1wz3 s PHE 79 N -2.95 -0.53 -1.45 1.90 5.36 0.32 -4.93 117.98 115.68 1wz3 s PHE 79 Ca 0.61 1.26 -0.09 0.00 -0.96 0.00 0.00 56.93 57.75 1wz3 s PHE 79 Cb -0.16 0.20 0.05 0.00 -0.34 0.00 0.00 43.02 42.77 1wz3 s PHE 79 CO 0.56 -0.30 0.90 -3.47 -1.46 0.00 0.00 175.22 171.45 1wz3 n ASP 80 N 2.56 -3.69 -0.01 6.13 4.64 -1.26 -2.45 116.55 122.47 1wz3 n ASP 80 Ca -0.14 -0.78 -0.00 0.00 -1.38 0.00 0.00 54.79 52.48 1wz3 n ASP 80 Cb 0.56 -3.99 -0.00 0.00 -1.04 0.00 0.00 41.12 36.66 1wz3 n ASP 80 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wz3 n GLY 81 N -1.68 0.47 3.33 0.27 0.00 -1.26 -5.03 105.19 101.30 1wz3 n GLY 81 Ca -0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.35 1.08 -0.24 1.61 -2.85 -1.03 -5.14 119.74 112.83 1wz3 s LYS 82 Ca 0.00 -0.85 -0.05 0.00 -1.00 0.00 0.00 55.97 54.07 1wz3 s LYS 82 Cb 0.00 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1wz3 s LYS 82 CO 0.00 -0.41 -0.01 -1.17 0.10 0.00 0.00 175.35 173.86 1wz3 s LEU 83 N -2.85 3.13 -0.20 2.77 2.96 -1.26 -0.52 118.68 122.71 1wz3 s LEU 83 Ca 0.06 -0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 53.33 1wz3 s LEU 83 Cb 0.02 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1wz3 s LEU 83 CO -0.09 -0.05 0.66 -0.69 -1.32 0.00 0.00 176.35 174.86 1wz3 s VAL 84 N 1.50 4.99 -0.20 1.68 1.01 -1.26 -5.04 120.40 123.08 1wz3 s VAL 84 Ca 0.05 1.25 -0.00 0.00 0.00 0.00 0.00 61.98 63.28 1wz3 s VAL 84 Cb -0.15 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1wz3 s VAL 84 CO -0.01 0.09 -0.15 -0.69 0.00 0.00 0.00 175.10 174.34 1wz3 s VAL 85 N 2.01 2.43 0.17 2.92 1.01 -1.26 -5.05 120.40 122.63 1wz3 s VAL 85 Ca 0.30 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 1wz3 s VAL 85 Cb -0.16 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1wz3 s VAL 85 CO 0.10 0.45 0.37 0.20 0.00 0.00 0.00 175.10 176.22 1wz3 s ASN 86 N 1.32 6.41 -0.01 3.32 0.01 -1.26 -5.11 114.94 119.62 1wz3 s ASN 86 Ca 0.04 0.44 -0.04 0.00 -0.71 0.00 0.00 52.86 52.58 1wz3 s ASN 86 Cb -0.14 -2.03 0.00 0.00 0.41 0.00 0.00 41.25 39.50 1wz3 s ASN 86 CO -0.10 0.00 0.09 -0.72 -1.51 0.00 0.00 177.10 174.87 1wz3 s TYR 87 N -1.78 0.01 0.18 2.20 -0.85 -1.26 -5.17 117.35 110.68 1wz3 s TYR 87 Ca 0.39 -0.01 -0.19 0.00 -0.52 0.00 0.00 57.07 56.74 1wz3 s TYR 87 Cb -0.11 -0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.23 1wz3 s TYR 87 CO 0.28 -0.17 0.53 0.00 -1.52 0.00 0.00 175.55 174.67 1wz3 s ALA 88 N -0.75 -1.10 -0.14 9.51 0.00 -1.26 -5.04 121.76 122.97 1wz3 s ALA 88 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 1wz3 s ALA 88 Cb -0.05 0.83 -0.25 0.00 0.00 0.00 0.00 23.12 23.66 1wz3 s ALA 88 CO 0.00 -0.78 0.43 0.00 0.00 0.00 0.00 175.76 175.41 1wz3 s SER 90 N -6.95 2.03 0.00 0.00 0.15 -1.26 -5.03 113.70 102.65 1wz3 s SER 90 Ca -0.23 -0.37 0.20 0.00 0.70 0.00 0.00 55.95 56.25 1wz3 s SER 90 Cb 0.05 -0.20 0.78 0.00 -1.71 0.00 0.00 66.02 64.94 1wz3 s SER 90 CO 0.71 0.17 1.56 0.23 1.20 0.00 0.00 173.24 177.11 1wz3 n MET 91 N 2.37 1.64 -2.85 5.44 0.00 -1.26 -4.51 117.12 117.95 1wz3 n MET 91 Ca -0.16 -0.96 -0.31 0.00 0.00 0.00 0.00 57.70 56.27 1wz3 n MET 91 Cb 0.54 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.36 1wz3 n MET 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1wz3 n ALA 92 N 0.19 5.10 1.59 3.04 0.00 -1.26 -5.22 120.51 123.95 1wz3 n ALA 92 Ca 0.16 -4.68 0.14 0.00 0.00 0.00 0.00 53.44 49.06 1wz3 n ALA 92 Cb 0.30 -1.17 0.60 0.00 0.00 0.00 0.00 19.45 19.17 1wz3 n ALA 92 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41