#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wz0 s SER 2 N 0.00 2.26 -0.11 1.61 0.01 -1.26 -5.13 113.70 111.09 1wz0 s SER 2 Ca 0.00 -0.54 -0.21 0.00 1.31 0.00 0.00 55.95 56.51 1wz0 s SER 2 Cb 0.00 -0.30 0.05 0.00 0.21 0.00 0.00 66.02 65.98 1wz0 s SER 2 CO 0.00 -0.32 0.51 -0.94 0.41 0.00 0.00 173.24 172.90 1wz0 s SER 3 N 2.08 -0.48 0.29 2.44 1.04 -1.26 -5.18 113.70 112.63 1wz0 s SER 3 Ca 0.02 0.71 0.04 0.00 0.48 0.00 0.00 55.95 57.20 1wz0 s SER 3 Cb -0.16 0.73 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 1wz0 s SER 3 CO -0.08 -0.37 0.21 -0.83 0.98 0.00 0.00 173.24 173.15 1wz0 s GLY 4 N -0.54 2.01 -0.30 7.32 0.00 -1.26 -5.16 107.32 109.39 1wz0 s GLY 4 Ca -0.07 -1.89 -0.03 0.00 0.00 0.00 0.00 44.72 42.73 1wz0 s GLY 4 CO 0.04 -1.48 0.66 -1.35 0.00 0.00 0.00 173.10 170.98 1wz0 s SER 5 N -3.31 -1.25 0.14 1.64 1.04 -1.26 -5.17 113.70 105.54 1wz0 s SER 5 Ca 0.39 0.87 -0.08 0.00 0.48 0.00 0.00 55.95 57.61 1wz0 s SER 5 Cb 0.04 2.09 -0.01 0.00 0.10 0.00 0.00 66.02 68.24 1wz0 s SER 5 CO 0.21 -0.23 0.24 -0.44 0.98 0.00 0.00 173.24 173.99 1wz0 s SER 6 N 2.87 0.08 0.02 7.02 0.01 -1.26 -5.18 113.70 117.27 1wz0 s SER 6 Ca 0.16 -0.86 0.02 0.00 1.31 0.00 0.00 55.95 56.58 1wz0 s SER 6 Cb -0.14 0.40 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 1wz0 s SER 6 CO -0.20 -0.84 -0.07 -0.83 0.41 0.00 0.00 173.24 171.71 1wz0 s GLY 7 N -2.95 0.42 0.18 3.44 0.00 -1.26 -5.16 107.32 101.98 1wz0 s GLY 7 Ca 0.15 -0.54 0.06 0.00 0.00 0.00 0.00 44.72 44.39 1wz0 s GLY 7 CO -0.02 -0.55 0.12 1.06 0.00 0.00 0.00 173.10 173.70 1wz0 s MET 8 N -0.94 2.81 0.06 2.90 1.00 -1.26 -5.12 119.30 118.75 1wz0 s MET 8 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 55.69 54.72 1wz0 s MET 8 Cb -0.06 -2.58 -0.04 0.00 0.00 0.00 0.00 34.83 32.14 1wz0 s MET 8 CO 0.00 0.47 0.15 0.00 0.00 0.00 0.00 175.02 175.65 1wz0 s ALA 9 N -1.79 3.82 -0.67 3.03 0.00 -1.26 -5.05 121.76 119.84 1wz0 s ALA 9 Ca 0.30 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1wz0 s ALA 9 Cb -0.10 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.38 1wz0 s ALA 9 CO 0.23 0.79 1.32 -0.51 0.00 0.00 0.00 175.76 177.59 1wz0 s ASP 10 N -2.42 6.16 -0.16 0.00 1.11 -1.26 -4.88 116.67 115.22 1wz0 s ASP 10 Ca 0.32 -0.16 -0.03 0.00 0.18 0.00 0.00 52.55 52.86 1wz0 s ASP 10 Cb -0.13 -2.55 -0.05 0.00 1.07 0.00 0.00 42.92 41.26 1wz0 s ASP 10 CO 0.25 -1.77 2.80 1.21 1.18 0.00 0.00 175.17 178.84 1wz0 n GLU 11 N 9.04 1.84 -3.73 8.23 0.00 -1.26 -4.73 120.64 130.04 1wz0 n GLU 11 Ca 0.07 -1.20 -0.24 0.00 0.00 0.00 0.00 57.16 55.79 1wz0 n GLU 11 Cb 0.49 -1.75 0.03 0.00 0.00 0.00 0.00 31.44 30.21 1wz0 n GLU 11 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1wz0 n LYS 12 N 1.54 -3.65 -1.13 5.31 4.01 -1.26 -4.96 118.16 118.01 1wz0 n LYS 12 Ca 0.33 0.55 -0.29 0.00 -0.51 0.00 0.00 58.31 58.39 1wz0 n LYS 12 Cb 0.68 -4.86 0.20 0.00 -0.51 0.00 0.00 35.03 30.54 1wz0 n LYS 12 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 1wz0 s PRO 13 N -6.01 -0.20 -1.59 1.97 0.04 -1.26 -3.96 135.00 124.00 1wz0 s PRO 13 Ca 0.12 0.31 -0.15 0.00 0.04 0.00 0.00 61.00 61.32 1wz0 s PRO 13 Cb -0.04 -1.68 0.11 0.00 0.04 0.00 0.00 34.50 32.93 1wz0 s PRO 13 CO 0.83 -3.11 0.88 1.63 0.04 0.00 0.00 177.00 177.28 1wz0 n LYS 14 N -4.40 -4.55 -0.20 4.56 4.76 -1.26 -4.84 118.16 112.23 1wz0 n LYS 14 Ca 0.08 0.51 0.01 0.00 -2.87 0.00 0.00 58.31 56.03 1wz0 n LYS 14 Cb 0.58 -5.30 0.10 0.00 -1.84 0.00 0.00 35.03 28.57 1wz0 n LYS 14 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1wz0 h GLU 15 N -1.86 0.13 -1.20 1.97 4.57 -1.97 -3.44 114.58 112.79 1wz0 h GLU 15 Ca -0.59 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 57.75 1wz0 h GLU 15 Cb 1.38 -0.03 -0.31 0.00 -0.16 0.00 0.00 28.75 29.62 1wz0 h GLU 15 CO 0.71 0.09 0.72 0.20 -1.18 0.00 0.00 179.01 179.54 1wz0 s GLY 16 N -3.34 0.34 -0.17 1.92 0.00 -1.26 -5.06 107.32 99.74 1wz0 s GLY 16 Ca -0.13 3.47 -0.07 0.00 0.00 0.00 0.00 44.72 47.99 1wz0 s GLY 16 CO 0.74 2.29 0.18 3.33 0.00 0.00 0.00 173.10 179.63 1wz0 n VAL 17 N 2.44 1.68 -4.30 1.40 0.24 -1.26 -4.98 118.33 113.55 1wz0 n VAL 17 Ca -0.14 -0.54 -0.35 0.00 -2.04 0.00 0.00 64.34 61.27 1wz0 n VAL 17 Cb 0.57 -1.71 -0.06 0.00 -1.47 0.00 0.00 33.84 31.16 1wz0 n VAL 17 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wz0 n LYS 18 N -3.60 -1.87 -1.84 7.34 4.01 -1.26 -4.77 118.16 116.17 1wz0 n LYS 18 Ca -0.36 0.23 -0.40 0.00 -0.51 0.00 0.00 58.31 57.27 1wz0 n LYS 18 Cb 0.98 -4.48 -0.03 0.00 -0.51 0.00 0.00 35.03 31.00 1wz0 n LYS 18 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wz0 s THR 19 N -3.69 3.25 0.07 -0.18 -4.23 -1.26 -4.96 115.64 104.65 1wz0 s THR 19 Ca 0.44 0.22 0.07 0.00 -1.18 0.00 0.00 61.69 61.24 1wz0 s THR 19 Cb -0.25 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1wz0 s THR 19 CO 0.97 -0.36 -0.19 -1.61 -0.54 0.00 0.00 174.62 172.89 1wz0 s GLU 20 N 6.69 1.12 -0.63 3.99 0.41 -1.26 -5.10 118.70 123.90 1wz0 s GLU 20 Ca 0.85 -1.02 -0.10 0.00 -0.41 0.00 0.00 54.97 54.29 1wz0 s GLU 20 Cb -0.21 -1.27 0.16 0.00 -1.78 0.00 0.00 34.13 31.04 1wz0 s GLU 20 CO 0.29 0.30 0.53 0.54 -0.49 0.00 0.00 175.26 176.43 1wz0 s ASN 21 N -1.59 5.99 0.30 -0.19 4.22 -1.26 -5.01 114.94 117.40 1wz0 s ASN 21 Ca 0.05 -2.39 -0.19 0.00 -2.14 0.00 0.00 52.86 48.19 1wz0 s ASN 21 Cb -0.09 -2.06 0.05 0.00 1.28 0.00 0.00 41.25 40.43 1wz0 s ASN 21 CO 0.03 -0.59 0.84 0.20 -2.04 0.00 0.00 177.10 175.53 1wz0 s ASN 22 N 2.12 -0.08 -0.42 3.54 0.01 -1.26 -5.13 114.94 113.73 1wz0 s ASN 22 Ca 0.12 -0.84 -0.23 0.00 -0.71 0.00 0.00 52.86 51.20 1wz0 s ASN 22 Cb -0.20 0.72 0.02 0.00 0.41 0.00 0.00 41.25 42.20 1wz0 s ASN 22 CO -0.04 -1.39 0.80 -1.81 -1.51 0.00 0.00 177.10 173.15 1wz0 s ASP 23 N -3.08 6.47 0.29 -1.22 1.11 -1.26 -5.01 116.67 113.98 1wz0 s ASP 23 Ca 0.15 0.09 -0.00 0.00 0.18 0.00 0.00 52.55 52.97 1wz0 s ASP 23 Cb -0.04 -2.39 -0.02 0.00 1.07 0.00 0.00 42.92 41.53 1wz0 s ASP 23 CO 0.08 -0.85 0.32 -1.00 1.18 0.00 0.00 175.17 174.90 1wz0 s HIS 24 N 3.25 1.24 -0.02 4.23 3.76 -1.26 -4.29 115.29 122.20 1wz0 s HIS 24 Ca 0.31 -1.37 -0.01 0.00 -0.15 0.00 0.00 55.06 53.84 1wz0 s HIS 24 Cb -0.12 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.20 1wz0 s HIS 24 CO 0.21 -0.91 0.04 0.96 -0.85 0.00 0.00 174.74 174.19 1wz0 s ILE 25 N -3.57 -0.01 -0.36 0.60 -4.36 0.10 -4.93 121.20 108.66 1wz0 s ILE 25 Ca 0.35 0.05 -0.11 0.00 -0.26 0.00 0.00 60.65 60.68 1wz0 s ILE 25 Cb 0.02 -0.07 0.02 0.00 1.25 0.00 0.00 42.46 43.68 1wz0 s ILE 25 CO 0.19 0.02 0.21 0.20 0.24 0.00 0.00 174.94 175.80 1wz0 s ASN 26 N 0.28 5.76 -0.18 4.36 0.01 -1.25 -2.35 114.94 121.56 1wz0 s ASN 26 Ca -0.02 -0.85 -0.07 0.00 -0.71 0.00 0.00 52.86 51.22 1wz0 s ASN 26 Cb -0.03 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.55 1wz0 s ASN 26 CO -0.01 -0.34 0.04 -0.76 -1.51 0.00 0.00 177.10 174.52 1wz0 s LEU 27 N 1.59 3.67 -0.43 0.60 1.43 -0.85 -2.33 118.68 122.37 1wz0 s LEU 27 Ca 0.03 0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.95 1wz0 s LEU 27 Cb -0.19 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1wz0 s LEU 27 CO 0.07 0.17 0.65 -0.54 0.23 0.00 0.00 176.35 176.93 1wz0 s LYS 28 N 0.40 3.35 -0.13 1.70 1.02 -0.04 -2.33 119.74 123.71 1wz0 s LYS 28 Ca 0.01 -0.29 -0.19 0.00 0.02 0.00 0.00 55.97 55.53 1wz0 s LYS 28 Cb -0.13 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 1wz0 s LYS 28 CO 0.01 -0.98 0.50 0.08 -0.92 0.00 0.00 175.35 174.04 1wz0 s VAL 29 N 2.84 5.17 -0.29 3.17 1.01 0.84 0.15 120.40 133.29 1wz0 s VAL 29 Ca 0.23 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1wz0 s VAL 29 Cb -0.14 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1wz0 s VAL 29 CO 0.19 0.30 0.08 0.00 0.00 0.00 0.00 175.10 175.66 1wz0 s ALA 30 N 0.80 3.08 0.91 5.51 0.00 -0.46 -0.80 121.76 130.79 1wz0 s ALA 30 Ca 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1wz0 s ALA 30 Cb -0.15 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.82 1wz0 s ALA 30 CO 0.11 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1wz0 n GLY 31 N 4.88 0.72 0.13 0.00 0.00 0.25 -3.22 105.19 107.95 1wz0 n GLY 31 Ca -0.15 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1wz0 n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1wz0 n GLN 32 N 0.00 0.62 -0.81 1.61 7.27 -1.26 -4.46 117.38 120.35 1wz0 n GLN 32 Ca 0.00 0.16 -0.10 0.00 0.07 0.00 0.00 57.00 57.13 1wz0 n GLN 32 Cb 0.00 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.12 1wz0 n GLN 32 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1wz0 n ASP 33 N -3.34 5.74 -3.86 1.69 9.92 -1.26 -4.74 116.55 120.71 1wz0 n ASP 33 Ca -0.45 -2.68 -0.30 0.00 -0.53 0.00 0.00 54.79 50.82 1wz0 n ASP 33 Cb 0.96 -1.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1wz0 n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wz0 n GLY 34 N 1.33 -0.48 3.55 0.44 0.00 -1.26 -4.93 105.19 103.83 1wz0 n GLY 34 Ca 0.22 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1wz0 n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wz0 s SER 35 N -3.14 5.71 -0.32 1.61 0.01 -1.26 -4.95 113.70 111.36 1wz0 s SER 35 Ca 0.63 -0.07 -0.08 0.00 1.31 0.00 0.00 55.95 57.73 1wz0 s SER 35 Cb -0.33 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 63.87 1wz0 s SER 35 CO 0.77 -0.03 0.13 -0.69 0.41 0.00 0.00 173.24 173.83 1wz0 s VAL 36 N 1.62 4.24 -0.15 3.43 1.01 -1.26 -0.58 120.40 128.72 1wz0 s VAL 36 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1wz0 s VAL 36 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1wz0 s VAL 36 CO 0.08 -0.03 -0.19 -0.69 0.00 0.00 0.00 175.10 174.27 1wz0 s VAL 37 N 1.53 2.33 0.37 2.92 1.01 0.02 -4.92 120.40 123.65 1wz0 s VAL 37 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1wz0 s VAL 37 Cb -0.18 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1wz0 s VAL 37 CO 0.04 0.53 0.54 -1.10 0.00 0.00 0.00 175.10 175.12 1wz0 s GLN 38 N 0.88 3.22 -0.18 2.72 1.11 -1.26 -0.11 119.66 126.04 1wz0 s GLN 38 Ca -0.05 -0.64 -0.12 0.00 0.01 0.00 0.00 55.36 54.55 1wz0 s GLN 38 Cb -0.15 -2.70 0.06 0.00 -1.01 0.00 0.00 33.01 29.20 1wz0 s GLN 38 CO -0.02 0.01 0.46 -0.06 0.01 0.00 0.00 175.29 175.69 1wz0 s PHE 39 N -2.31 -0.61 -0.30 0.91 0.40 -0.98 -4.95 117.98 110.13 1wz0 s PHE 39 Ca 0.44 1.35 -0.06 0.00 -0.60 0.00 0.00 56.93 58.06 1wz0 s PHE 39 Cb -0.10 0.27 0.02 0.00 0.51 0.00 0.00 43.02 43.72 1wz0 s PHE 39 CO 0.34 -0.32 0.06 0.21 0.70 0.00 0.00 175.22 176.21 1wz0 s LYS 40 N 0.99 2.92 0.33 0.44 2.20 -1.26 -2.00 119.74 123.37 1wz0 s LYS 40 Ca -0.06 -0.96 0.05 0.00 -0.36 0.00 0.00 55.97 54.64 1wz0 s LYS 40 Cb -0.06 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1wz0 s LYS 40 CO -0.08 -0.50 0.18 0.44 -0.36 0.00 0.00 175.35 175.03 1wz0 n ILE 41 N 4.82 0.00 -3.92 5.43 -5.35 -0.99 -4.90 119.36 114.45 1wz0 n ILE 41 Ca -0.14 -2.14 -0.26 0.00 -0.27 0.00 0.00 62.75 59.93 1wz0 n ILE 41 Cb 0.47 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 1wz0 n ILE 41 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1wz0 s LYS 42 N -3.31 3.45 0.49 6.28 1.02 -1.26 0.01 119.74 126.42 1wz0 s LYS 42 Ca 0.26 -0.58 0.20 0.00 0.02 0.00 0.00 55.97 55.87 1wz0 s LYS 42 Cb 0.01 -2.95 1.24 0.00 -0.52 0.00 0.00 37.83 35.62 1wz0 s LYS 42 CO 0.18 0.50 2.06 0.07 -0.92 0.00 0.00 175.35 177.24 1wz0 h ARG 43 N 2.08 0.00 -1.00 1.68 0.11 -1.92 -2.42 114.38 112.90 1wz0 h ARG 43 Ca -0.49 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 58.95 1wz0 h ARG 43 Cb 1.20 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 31.95 1wz0 h ARG 43 CO 0.68 0.13 0.41 -2.39 0.10 0.00 0.00 179.97 178.91 1wz0 n HIS 44 N -4.09 3.10 -4.59 4.08 1.44 -1.26 -2.80 115.22 111.10 1wz0 n HIS 44 Ca -0.02 -2.79 -0.24 0.00 -2.01 0.00 0.00 57.72 52.66 1wz0 n HIS 44 Cb 0.21 -1.13 -0.16 0.00 0.12 0.00 0.00 29.99 29.04 1wz0 n HIS 44 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wz0 s THR 45 N -4.80 1.10 -0.06 0.61 2.01 -0.91 -5.08 115.64 108.52 1wz0 s THR 45 Ca 0.60 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1wz0 s THR 45 Cb 0.48 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1wz0 s THR 45 CO -0.02 0.34 1.49 -2.16 -0.69 0.00 0.00 174.62 173.58 1wz0 s PRO 46 N 0.32 4.22 0.63 4.92 0.04 -1.26 -3.87 135.00 140.00 1wz0 s PRO 46 Ca -0.07 2.01 0.19 0.00 0.04 0.00 0.00 61.00 63.17 1wz0 s PRO 46 Cb -0.12 -3.80 0.77 0.00 0.04 0.00 0.00 34.50 31.39 1wz0 s PRO 46 CO 0.02 -0.73 1.34 -0.07 0.04 0.00 0.00 177.00 177.60 1wz0 h LEU 47 N 9.49 0.00 -0.70 -3.56 3.38 -1.27 -2.20 115.31 120.45 1wz0 h LEU 47 Ca -0.36 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.72 1wz0 h LEU 47 Cb 1.16 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.80 1wz0 h LEU 47 CO 0.94 0.00 -0.25 -0.24 0.09 0.00 0.00 178.44 178.98 1wz0 n SER 48 N -3.03 -0.41 -0.17 -0.43 2.88 -0.75 0.19 113.62 111.89 1wz0 n SER 48 Ca 0.11 1.22 -0.08 0.00 -1.33 0.00 0.00 58.87 58.80 1wz0 n SER 48 Cb 1.14 -0.30 0.01 0.00 -0.75 0.00 0.00 64.21 64.31 1wz0 n SER 48 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wz0 h LYS 49 N 0.00 0.71 0.57 -1.46 6.56 -1.71 -2.31 116.57 118.93 1wz0 h LYS 49 Ca 0.26 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 1wz0 h LYS 49 Cb 0.44 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 1wz0 h LYS 49 CO -0.70 0.57 -0.37 1.25 -2.06 0.00 0.00 179.45 178.15 1wz0 h LEU 50 N 0.66 -0.93 -0.01 2.94 5.85 0.19 -2.65 115.31 121.36 1wz0 h LEU 50 Ca 0.17 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.96 1wz0 h LEU 50 Cb 0.09 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1wz0 h LEU 50 CO -0.02 -0.57 -0.17 0.24 -0.34 0.00 0.00 178.44 177.58 1wz0 h MET 51 N -0.90 -0.20 -0.75 1.25 2.86 -0.62 -1.80 114.93 114.79 1wz0 h MET 51 Ca -0.07 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1wz0 h MET 51 Cb 0.73 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.33 1wz0 h MET 51 CO 0.06 -0.13 -0.34 1.63 1.06 0.00 0.00 176.91 179.19 1wz0 n LYS 52 N -3.46 -0.22 -0.34 1.72 5.02 -0.87 0.23 118.16 120.23 1wz0 n LYS 52 Ca -0.02 1.14 0.08 0.00 -2.02 0.00 0.00 58.31 57.49 1wz0 n LYS 52 Cb 0.13 -1.69 0.25 0.00 -0.02 0.00 0.00 35.03 33.70 1wz0 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wz0 h ALA 53 N 0.83 1.48 -0.32 7.82 0.00 -1.07 0.12 119.26 128.11 1wz0 h ALA 53 Ca 0.22 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1wz0 h ALA 53 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1wz0 h ALA 53 CO -0.73 0.08 0.22 -0.92 0.00 0.00 0.00 179.25 177.90 1wz0 h TYR 54 N 0.84 0.21 0.13 0.00 5.03 0.37 0.93 116.97 124.47 1wz0 h TYR 54 Ca 0.50 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.81 1wz0 h TYR 54 Cb 0.62 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1wz0 h TYR 54 CO -0.03 0.12 -0.06 0.00 -1.32 0.00 0.00 178.16 176.87 1wz0 h GLU 56 N -0.98 0.57 -0.77 0.00 4.11 -1.17 1.83 114.58 118.17 1wz0 h GLU 56 Ca -0.02 -0.03 0.16 0.00 0.07 0.00 0.00 59.36 59.54 1wz0 h GLU 56 Cb 0.41 -0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.39 1wz0 h GLU 56 CO 0.03 0.38 -0.16 -0.09 0.07 0.00 0.00 179.01 179.24 1wz0 h ARG 57 N 0.59 0.01 -0.01 1.06 2.43 -0.94 0.78 114.38 118.31 1wz0 h ARG 57 Ca 0.32 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1wz0 h ARG 57 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wz0 h ARG 57 CO -0.24 0.01 -0.75 1.04 -1.51 0.00 0.00 179.97 178.52 1wz0 n GLN 58 N -5.48 0.44 -1.74 0.20 1.13 -0.83 -4.97 117.38 106.13 1wz0 n GLN 58 Ca 0.11 -0.35 -0.03 0.00 -1.94 0.00 0.00 57.00 54.79 1wz0 n GLN 58 Cb 0.41 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.26 1wz0 n GLN 58 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wz0 n GLY 59 N 1.47 0.37 2.87 1.08 0.00 0.58 -5.05 105.19 106.51 1wz0 n GLY 59 Ca 0.06 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1wz0 n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wz0 n LEU 60 N -0.44 0.00 -4.99 0.99 4.77 0.11 -4.92 117.00 112.52 1wz0 n LEU 60 Ca -0.04 -1.70 -0.20 0.00 -0.03 0.00 0.00 56.01 54.04 1wz0 n LEU 60 Cb 0.39 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1wz0 n LEU 60 CO 0.05 -0.76 0.21 -0.55 -1.33 0.00 0.00 177.39 175.01 1wz0 s SER 61 N -3.83 5.19 -0.23 -1.43 0.15 -1.26 -4.38 113.70 107.91 1wz0 s SER 61 Ca 0.47 -0.77 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 1wz0 s SER 61 Cb -0.03 -0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.06 1wz0 s SER 61 CO 0.30 -1.06 -0.03 0.80 1.20 0.00 0.00 173.24 174.45 1wz0 n MET 62 N -1.98 0.57 0.00 5.44 1.56 -1.26 -3.82 117.12 117.63 1wz0 n MET 62 Ca 0.10 0.45 0.04 0.00 -0.27 0.00 0.00 57.70 58.01 1wz0 n MET 62 Cb 0.61 -1.64 0.18 0.00 2.15 0.00 0.00 33.22 34.52 1wz0 n MET 62 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13 1wz0 n ARG 63 N -4.37 0.08 -0.03 2.12 0.00 -1.26 -1.77 116.66 111.42 1wz0 n ARG 63 Ca -0.39 0.26 -0.15 0.00 -0.00 0.00 0.00 57.85 57.57 1wz0 n ARG 63 Cb 0.74 -1.50 -0.14 0.00 -0.00 0.00 0.00 32.46 31.56 1wz0 n ARG 63 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1wz0 n GLN 64 N -1.35 0.69 -3.78 2.89 7.27 -1.26 -4.96 117.38 116.89 1wz0 n GLN 64 Ca 0.03 0.24 -0.21 0.00 0.07 0.00 0.00 57.00 57.13 1wz0 n GLN 64 Cb 0.07 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.98 1wz0 n GLN 64 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1wz0 s ILE 65 N -2.56 3.56 0.01 1.69 -4.36 -0.73 -4.59 121.20 114.21 1wz0 s ILE 65 Ca -0.16 -1.34 -0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1wz0 s ILE 65 Cb 0.07 -3.20 -0.01 0.00 1.25 0.00 0.00 42.46 40.57 1wz0 s ILE 65 CO 0.78 -0.17 -0.01 -0.13 0.24 0.00 0.00 174.94 175.65 1wz0 s ARG 66 N -4.01 0.17 0.21 0.37 1.81 -1.26 -4.87 118.95 111.37 1wz0 s ARG 66 Ca 0.41 -0.32 0.06 0.00 -1.72 0.00 0.00 55.73 54.17 1wz0 s ARG 66 Cb -0.06 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.46 1wz0 s ARG 66 CO 0.27 -0.03 0.16 -0.06 -0.68 0.00 0.00 175.30 174.96 1wz0 s PHE 67 N -0.77 3.11 -0.13 -0.53 0.40 -1.26 -3.12 117.98 115.67 1wz0 s PHE 67 Ca -0.08 -0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 1wz0 s PHE 67 Cb -0.05 -1.44 0.09 0.00 0.51 0.00 0.00 43.02 42.13 1wz0 s PHE 67 CO -0.00 0.52 0.80 1.03 0.70 0.00 0.00 175.22 178.27 1wz0 s ARG 68 N -3.49 0.86 -0.16 0.44 0.52 0.48 -3.44 118.95 114.16 1wz0 s ARG 68 Ca 0.32 0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 1wz0 s ARG 68 Cb -0.09 0.41 0.05 0.00 0.52 0.00 0.00 34.95 35.84 1wz0 s ARG 68 CO 0.24 -0.24 0.04 0.12 0.02 0.00 0.00 175.30 175.48 1wz0 s PHE 69 N -0.84 0.76 -0.95 -0.53 5.36 -0.68 -0.19 117.98 120.91 1wz0 s PHE 69 Ca -0.06 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 1wz0 s PHE 69 Cb -0.01 -0.89 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1wz0 s PHE 69 CO 0.05 -0.51 0.00 -3.47 -1.46 0.00 0.00 175.22 169.83 1wz0 n ASP 70 N 5.12 -3.75 -0.21 6.13 2.03 -1.26 -2.96 116.55 121.66 1wz0 n ASP 70 Ca -0.08 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1wz0 n ASP 70 Cb 0.48 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.30 1wz0 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wz0 n GLY 71 N -1.38 0.66 2.94 0.27 0.00 -1.26 -5.07 105.19 101.36 1wz0 n GLY 71 Ca -0.11 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 1wz0 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wz0 s GLN 72 N -4.27 0.46 -0.17 1.61 -0.21 -1.15 -5.12 119.66 110.80 1wz0 s GLN 72 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.93 1wz0 s GLN 72 Cb 0.00 -0.46 -0.03 0.00 1.00 0.00 0.00 33.01 33.51 1wz0 s GLN 72 CO 0.00 0.08 1.58 -1.25 -2.12 0.00 0.00 175.29 173.58 1wz0 s PRO 73 N 0.06 3.94 0.02 2.91 0.04 -1.26 -1.69 135.00 139.03 1wz0 s PRO 73 Ca -0.00 1.78 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1wz0 s PRO 73 Cb -0.04 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1wz0 s PRO 73 CO -0.00 -1.11 0.05 0.96 0.04 0.00 0.00 177.00 176.93 1wz0 s ILE 74 N 4.70 4.44 0.28 0.56 -4.36 -1.22 -4.98 121.20 120.62 1wz0 s ILE 74 Ca 0.70 -0.59 0.09 0.00 -0.26 0.00 0.00 60.65 60.58 1wz0 s ILE 74 Cb -0.26 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.36 1wz0 s ILE 74 CO 0.27 0.30 0.08 0.20 0.24 0.00 0.00 174.94 176.03 1wz0 s ASN 75 N -1.85 4.83 0.22 4.36 0.01 -1.26 -4.65 114.94 116.59 1wz0 s ASN 75 Ca 0.23 -0.57 -0.07 0.00 -0.71 0.00 0.00 52.86 51.75 1wz0 s ASN 75 Cb -0.12 -0.96 0.18 0.00 0.41 0.00 0.00 41.25 40.76 1wz0 s ASN 75 CO 0.15 -0.08 1.73 1.05 -1.51 0.00 0.00 177.10 178.44 1wz0 h GLU 76 N 1.70 1.06 0.00 -0.60 4.11 -1.96 -2.05 114.58 116.84 1wz0 h GLU 76 Ca -0.45 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 58.72 1wz0 h GLU 76 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1wz0 h GLU 76 CO 0.61 0.95 0.00 1.79 0.07 0.00 0.00 179.01 182.43 1wz0 h THR 77 N 1.00 0.00 -4.42 -1.06 1.35 -1.96 -1.98 112.91 105.85 1wz0 h THR 77 Ca 0.21 -0.20 -0.49 0.00 -0.55 0.00 0.00 66.41 65.37 1wz0 h THR 77 Cb 0.39 1.08 0.08 0.00 -1.73 0.00 0.00 68.15 67.97 1wz0 h THR 77 CO 0.01 0.00 0.40 -1.81 -0.25 0.00 0.00 175.52 173.86 1wz0 s ASP 78 N -5.03 5.32 0.28 5.36 1.11 -0.77 -4.85 116.67 118.09 1wz0 s ASP 78 Ca -0.01 1.22 0.11 0.00 0.18 0.00 0.00 52.55 54.05 1wz0 s ASP 78 Cb 0.10 -2.03 -0.05 0.00 1.07 0.00 0.00 42.92 42.01 1wz0 s ASP 78 CO 0.42 -1.43 -0.18 0.42 1.18 0.00 0.00 175.17 175.57 1wz0 s THR 79 N -3.29 2.38 0.14 -1.27 -4.23 -1.26 -1.81 115.64 106.30 1wz0 s THR 79 Ca 0.58 -2.36 0.33 0.00 -1.18 0.00 0.00 61.69 59.06 1wz0 s THR 79 Cb -0.12 -2.33 0.38 0.00 1.34 0.00 0.00 72.50 71.77 1wz0 s THR 79 CO 0.53 -0.38 1.99 1.55 -0.54 0.00 0.00 174.62 177.77 1wz0 h PRO 80 N 2.25 0.00 0.00 3.99 0.13 -1.72 -2.75 132.00 133.90 1wz0 h PRO 80 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 1wz0 h PRO 80 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1wz0 h PRO 80 CO 0.62 0.02 -0.65 0.00 -0.23 0.00 0.00 178.00 177.76 1wz0 h ALA 81 N 1.98 0.63 -0.00 -0.56 0.00 -1.81 -1.11 119.26 118.38 1wz0 h ALA 81 Ca -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1wz0 h ALA 81 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wz0 h ALA 81 CO 0.00 0.81 -0.71 0.37 0.00 0.00 0.00 179.25 179.73 1wz0 h GLN 82 N 0.00 0.01 -0.32 0.00 5.75 -1.78 -2.89 115.11 115.88 1wz0 h GLN 82 Ca -0.01 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1wz0 h GLN 82 Cb 1.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.98 1wz0 h GLN 82 CO 0.08 0.72 0.00 1.28 -2.65 0.00 0.00 178.83 178.26 1wz0 n LEU 83 N -3.70 1.61 -3.38 -2.39 4.77 -1.22 -4.90 117.00 107.79 1wz0 n LEU 83 Ca -0.01 -0.81 -0.18 0.00 -0.03 0.00 0.00 56.01 54.99 1wz0 n LEU 83 Cb 0.69 -0.22 0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1wz0 n LEU 83 CO 0.43 0.38 0.13 -0.62 -1.33 0.00 0.00 177.39 176.38 1wz0 n GLU 84 N 0.33 -6.65 -3.37 3.23 -0.58 -1.09 -4.98 120.64 107.53 1wz0 n GLU 84 Ca 0.10 0.82 -0.38 0.00 -0.42 0.00 0.00 57.16 57.28 1wz0 n GLU 84 Cb 0.26 -5.77 -0.06 0.00 -0.57 0.00 0.00 31.44 25.30 1wz0 n GLU 84 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1wz0 s MET 85 N -5.47 4.10 0.07 3.49 -1.94 -0.42 -4.98 119.30 114.15 1wz0 s MET 85 Ca 0.09 0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 54.63 1wz0 s MET 85 Cb -0.04 -3.26 -0.00 0.00 2.01 0.00 0.00 34.83 33.54 1wz0 s MET 85 CO 0.71 0.59 -0.01 -0.85 -0.01 0.00 0.00 175.02 175.45 1wz0 n GLU 86 N 2.03 0.02 -3.62 2.03 0.00 -1.26 -4.74 120.64 115.09 1wz0 n GLU 86 Ca -0.11 0.01 0.02 0.00 0.00 0.00 0.00 57.16 57.07 1wz0 n GLU 86 Cb 0.52 -0.53 -0.00 0.00 0.00 0.00 0.00 31.44 31.42 1wz0 n GLU 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1wz0 s ASP 87 N -5.83 -0.05 -0.35 -1.84 -4.77 -1.26 -4.77 116.67 97.80 1wz0 s ASP 87 Ca -0.01 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.12 1wz0 s ASP 87 Cb 0.00 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.97 1wz0 s ASP 87 CO 0.02 -0.26 0.00 -0.62 0.70 0.00 0.00 175.17 175.00 1wz0 n GLU 88 N -0.51 -1.93 -2.35 2.11 1.02 -0.99 -4.83 120.64 113.18 1wz0 n GLU 88 Ca -0.08 0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1wz0 n GLU 88 Cb 0.63 -4.49 -0.03 0.00 -0.02 0.00 0.00 31.44 27.53 1wz0 n GLU 88 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1wz0 s ASP 89 N -1.66 6.95 -0.08 1.62 1.11 -1.23 -4.73 116.67 118.65 1wz0 s ASP 89 Ca 0.00 1.96 -0.25 0.00 0.18 0.00 0.00 52.55 54.44 1wz0 s ASP 89 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1wz0 s ASP 89 CO 0.00 -0.65 0.77 -0.89 1.18 0.00 0.00 175.17 175.58 1wz0 s THR 90 N 2.32 4.99 -0.02 -1.27 2.01 -1.26 -0.87 115.64 121.54 1wz0 s THR 90 Ca 0.60 1.56 -0.03 0.00 0.31 0.00 0.00 61.69 64.13 1wz0 s THR 90 Cb -0.28 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1wz0 s THR 90 CO 0.24 0.19 0.17 -0.63 -0.69 0.00 0.00 174.62 173.89 1wz0 s ILE 91 N 1.16 5.35 -0.23 1.82 1.01 0.12 -4.61 121.20 125.83 1wz0 s ILE 91 Ca 0.39 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 1wz0 s ILE 91 Cb -0.18 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1wz0 s ILE 91 CO 0.18 0.36 0.04 -0.62 0.00 0.00 0.00 174.94 174.90 1wz0 s ASP 92 N -1.81 4.94 0.02 3.58 2.15 0.73 -1.36 116.67 124.92 1wz0 s ASP 92 Ca 0.25 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.01 1wz0 s ASP 92 Cb -0.12 -1.87 -0.01 0.00 -0.30 0.00 0.00 42.92 40.61 1wz0 s ASP 92 CO 0.17 -0.01 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.44 1wz0 s VAL 93 N 1.43 0.12 -0.33 1.11 1.01 -1.20 -0.39 120.40 122.16 1wz0 s VAL 93 Ca 0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 1wz0 s VAL 93 Cb -0.15 -0.22 0.04 0.00 0.00 0.00 0.00 36.38 36.06 1wz0 s VAL 93 CO 0.02 -0.34 0.07 -0.36 0.00 0.00 0.00 175.10 174.49 1wz0 s PHE 94 N -1.03 3.26 -0.53 5.22 0.40 -1.18 -4.23 117.98 119.89 1wz0 s PHE 94 Ca -0.11 -1.59 -0.25 0.00 -0.60 0.00 0.00 56.93 54.39 1wz0 s PHE 94 Cb -0.07 -2.23 0.04 0.00 0.51 0.00 0.00 43.02 41.27 1wz0 s PHE 94 CO -0.01 -0.76 0.94 -0.65 0.70 0.00 0.00 175.22 175.45 1wz0 s GLN 95 N 1.35 3.38 0.21 0.44 -0.21 -1.26 -4.14 119.66 119.43 1wz0 s GLN 95 Ca -0.03 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.22 1wz0 s GLN 95 Cb -0.20 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.76 1wz0 s GLN 95 CO 0.01 -1.42 0.37 -1.14 -2.12 0.00 0.00 175.29 170.99 1wz0 s GLN 96 N 3.92 3.47 0.14 2.91 0.74 -1.26 -4.75 119.66 124.82 1wz0 s GLN 96 Ca 0.32 -0.53 0.09 0.00 0.05 0.00 0.00 55.36 55.30 1wz0 s GLN 96 Cb -0.12 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 1wz0 s GLN 96 CO 0.21 0.42 -0.22 -0.65 -0.55 0.00 0.00 175.29 174.50 1wz0 s GLN 97 N -3.58 1.26 0.43 1.67 -1.52 -1.26 -5.00 119.66 111.66 1wz0 s GLN 97 Ca 0.36 -1.31 -0.24 0.00 -1.95 0.00 0.00 55.36 52.22 1wz0 s GLN 97 Cb -0.10 -1.51 -0.08 0.00 -0.22 0.00 0.00 33.01 31.09 1wz0 s GLN 97 CO 0.30 0.34 1.17 0.95 -0.25 0.00 0.00 175.29 177.80 1wz0 s THR 98 N -1.45 3.12 -0.01 -0.19 -4.23 -1.26 -4.97 115.64 106.65 1wz0 s THR 98 Ca 0.12 0.90 -0.30 0.00 -1.18 0.00 0.00 61.69 61.23 1wz0 s THR 98 Cb -0.09 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1wz0 s THR 98 CO 0.06 0.04 1.34 -0.55 -0.54 0.00 0.00 174.62 174.97 1wz0 s SER 99 N -1.22 6.92 0.00 3.99 0.15 -1.26 -4.83 113.70 117.44 1wz0 s SER 99 Ca 0.60 2.03 0.00 0.00 0.70 0.00 0.00 55.95 59.28 1wz0 s SER 99 Cb -0.30 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1wz0 s SER 99 CO 0.37 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1wz0 n GLY 100 N 3.54 -0.17 3.73 9.45 0.00 -1.26 -5.14 105.19 115.34 1wz0 n GLY 100 Ca 0.12 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 1wz0 n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wz0 s PRO 101 N 0.00 4.38 0.37 1.61 0.04 -1.26 -5.04 135.00 135.10 1wz0 s PRO 101 Ca 0.00 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.16 1wz0 s PRO 101 Cb 0.00 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 1wz0 s PRO 101 CO 0.00 -0.28 -0.01 0.45 0.04 0.00 0.00 177.00 177.20 1wz0 s SER 102 N 0.50 3.96 0.10 6.66 0.15 -1.26 -5.08 113.70 118.73 1wz0 s SER 102 Ca 0.58 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1wz0 s SER 102 Cb -0.36 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1wz0 s SER 102 CO 0.36 -0.33 0.00 -1.20 1.20 0.00 0.00 173.24 173.28 1wz0 n SER 103 N -0.94 0.94 0.00 5.45 7.64 -1.26 -5.35 113.62 120.11 1wz0 n SER 103 Ca -0.04 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wz0 n SER 103 Cb 0.64 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1wz0 n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64