#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 4.20 -1.67 1.61 1.04 -1.26 -4.82 113.70 112.81 1wz0 s SER 2 Ca 0.00 -2.69 -0.14 0.00 0.48 0.00 0.00 55.95 53.59 1wz0 s SER 2 Cb 0.00 -1.44 0.13 0.00 0.10 0.00 0.00 66.02 64.81 1wz0 s SER 2 CO 0.00 -0.28 0.62 -1.54 0.98 0.00 0.00 173.24 173.03 1wz0 n SER 3 N 3.51 -2.18 -4.13 7.02 3.41 -1.26 -4.83 113.62 115.16 1wz0 n SER 3 Ca 0.05 -1.07 -0.36 0.00 -0.26 0.00 0.00 58.87 57.23 1wz0 n SER 3 Cb 0.35 -2.53 0.05 0.00 -0.26 0.00 0.00 64.21 61.81 1wz0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wz0 n GLY 4 N -1.56 -3.83 3.27 5.00 0.00 -1.26 -5.01 105.19 101.80 1wz0 n GLY 4 Ca -0.02 -0.66 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 1wz0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wz0 s SER 5 N -1.18 1.26 0.83 1.61 0.01 -1.26 -5.17 113.70 109.80 1wz0 s SER 5 Ca 0.47 -1.64 -0.12 0.00 1.31 0.00 0.00 55.95 55.97 1wz0 s SER 5 Cb -0.25 0.50 0.10 0.00 0.21 0.00 0.00 66.02 66.57 1wz0 s SER 5 CO 0.76 -0.99 1.19 -0.94 0.41 0.00 0.00 173.24 173.68 1wz0 s SER 6 N -3.32 4.30 0.00 2.44 1.04 -1.26 -5.10 113.70 111.80 1wz0 s SER 6 Ca 0.40 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1wz0 s SER 6 Cb 0.04 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 65.06 1wz0 s SER 6 CO 0.22 -2.02 0.00 0.61 0.98 0.00 0.00 173.24 173.03 1wz0 n GLY 7 N -3.36 4.08 3.76 7.32 0.00 -1.26 -5.18 105.19 110.56 1wz0 n GLY 7 Ca 0.09 -1.78 -0.00 0.00 0.00 0.00 0.00 46.02 44.33 1wz0 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1wz0 s MET 8 N 3.36 0.75 0.38 1.61 0.00 -1.26 -5.19 119.30 118.95 1wz0 s MET 8 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 55.69 55.28 1wz0 s MET 8 Cb 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 34.83 35.03 1wz0 s MET 8 CO 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 175.02 174.79 1wz0 s ALA 9 N -2.51 2.70 -0.42 3.16 0.00 -1.26 -5.04 121.76 118.39 1wz0 s ALA 9 Ca 0.18 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.67 1wz0 s ALA 9 Cb 0.01 0.78 0.15 0.00 0.00 0.00 0.00 23.12 24.06 1wz0 s ALA 9 CO -0.00 -0.35 2.43 -0.40 0.00 0.00 0.00 175.76 177.43 1wz0 n ASP 10 N -1.14 6.56 0.09 0.00 5.75 -1.26 -4.44 116.55 122.11 1wz0 n ASP 10 Ca -0.05 -3.19 -0.22 0.00 -0.01 0.00 0.00 54.79 51.32 1wz0 n ASP 10 Cb 0.65 -1.15 -0.15 0.00 -1.03 0.00 0.00 41.12 39.44 1wz0 n ASP 10 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wz0 h GLU 11 N 2.35 0.42 0.64 0.11 5.08 -2.05 -3.36 114.58 117.75 1wz0 h GLU 11 Ca 0.37 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1wz0 h GLU 11 Cb 0.79 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1wz0 h GLU 11 CO 0.88 1.33 -0.51 0.87 -1.00 0.00 0.00 179.01 180.58 1wz0 h LYS 12 N -0.12 -1.07 -6.81 2.33 1.79 -2.05 -3.42 116.57 107.22 1wz0 h LYS 12 Ca -0.19 0.07 -0.52 0.00 -2.18 0.00 0.00 60.65 57.84 1wz0 h LYS 12 Cb 1.86 0.24 0.04 0.00 -1.58 0.00 0.00 32.23 32.79 1wz0 h LYS 12 CO 0.21 -0.71 0.59 -1.25 -1.08 0.00 0.00 179.45 177.20 1wz0 s PRO 13 N -5.90 4.45 0.07 3.15 0.04 -1.26 -5.04 135.00 130.52 1wz0 s PRO 13 Ca -0.18 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1wz0 s PRO 13 Cb 0.04 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.46 1wz0 s PRO 13 CO 0.60 -0.08 0.28 0.15 0.04 0.00 0.00 177.00 178.00 1wz0 s LYS 14 N -1.33 0.87 1.22 4.56 1.02 -1.26 -4.95 119.74 119.87 1wz0 s LYS 14 Ca 0.49 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1wz0 s LYS 14 Cb -0.37 0.37 0.29 0.00 -0.52 0.00 0.00 37.83 37.61 1wz0 s LYS 14 CO 0.46 -0.29 1.09 -1.83 -0.92 0.00 0.00 175.35 173.86 1wz0 s GLU 15 N -3.23 -1.40 0.00 1.68 4.04 -1.26 -4.88 118.70 113.65 1wz0 s GLU 15 Ca -0.00 -0.02 0.00 0.00 0.04 0.00 0.00 54.97 54.99 1wz0 s GLU 15 Cb 0.02 -1.57 0.00 0.00 0.02 0.00 0.00 34.13 32.59 1wz0 s GLU 15 CO -0.08 -3.84 0.00 0.41 -1.84 0.00 0.00 175.26 169.92 1wz0 n GLY 16 N -0.64 0.95 3.57 -3.83 0.00 -1.26 -5.06 105.19 98.92 1wz0 n GLY 16 Ca 0.13 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1wz0 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wz0 s VAL 17 N 0.00 3.73 0.35 1.61 1.01 -1.26 -4.90 120.40 120.94 1wz0 s VAL 17 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1wz0 s VAL 17 Cb 0.00 -4.71 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 1wz0 s VAL 17 CO 0.00 -1.37 0.08 -0.54 0.00 0.00 0.00 175.10 173.28 1wz0 s LYS 18 N 5.78 1.74 -1.44 2.72 -0.14 -1.26 -4.84 119.74 122.30 1wz0 s LYS 18 Ca 0.62 -2.01 -0.03 0.00 -1.36 0.00 0.00 55.97 53.20 1wz0 s LYS 18 Cb -0.00 -0.74 0.00 0.00 -1.68 0.00 0.00 37.83 35.41 1wz0 s LYS 18 CO 0.07 -0.30 0.06 0.25 -0.76 0.00 0.00 175.35 174.67 1wz0 n THR 19 N -0.76 -1.09 -3.69 2.17 -2.24 -1.26 -4.92 114.28 102.49 1wz0 n THR 19 Ca -0.04 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1wz0 n THR 19 Cb 0.66 -1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 67.74 1wz0 n THR 19 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wz0 s GLU 20 N -7.18 0.56 1.00 -0.78 2.02 -1.26 -5.15 118.70 107.90 1wz0 s GLU 20 Ca 0.05 0.79 -0.18 0.00 0.02 0.00 0.00 54.97 55.64 1wz0 s GLU 20 Cb -0.03 0.20 -0.10 0.00 0.10 0.00 0.00 34.13 34.30 1wz0 s GLU 20 CO 0.95 -0.10 -0.62 0.09 0.02 0.00 0.00 175.26 175.60 1wz0 n ASN 21 N 3.30 -4.60 -2.15 -0.19 5.03 -1.26 -4.91 115.26 110.47 1wz0 n ASN 21 Ca -0.16 0.17 -0.26 0.00 0.87 0.00 0.00 54.58 55.19 1wz0 n ASN 21 Cb 0.56 -0.83 0.02 0.00 -1.02 0.00 0.00 39.78 38.52 1wz0 n ASN 21 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wz0 n ASN 22 N 2.21 5.29 -1.27 6.41 4.13 -1.26 -4.77 115.26 126.00 1wz0 n ASN 22 Ca -0.00 -3.75 -0.05 0.00 1.68 0.00 0.00 54.58 52.45 1wz0 n ASN 22 Cb 0.59 -0.45 0.06 0.00 -1.54 0.00 0.00 39.78 38.44 1wz0 n ASN 22 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1wz0 n ASP 23 N -0.69 3.06 -4.30 6.41 9.92 -1.26 -4.84 116.55 124.85 1wz0 n ASP 23 Ca 0.46 -2.43 -0.20 0.00 -0.53 0.00 0.00 54.79 52.09 1wz0 n ASP 23 Cb 0.86 -0.59 -0.11 0.00 -0.64 0.00 0.00 41.12 40.64 1wz0 n ASP 23 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1wz0 s HIS 24 N -1.07 1.63 -0.10 1.24 3.76 -1.26 -4.42 115.29 115.07 1wz0 s HIS 24 Ca 0.16 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1wz0 s HIS 24 Cb 0.14 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 1wz0 s HIS 24 CO 0.03 0.26 -0.09 0.96 -0.85 0.00 0.00 174.74 175.05 1wz0 s ILE 25 N -2.25 3.50 -0.23 0.60 -4.36 -0.81 -4.94 121.20 112.71 1wz0 s ILE 25 Ca 0.14 -0.53 -0.14 0.00 -0.26 0.00 0.00 60.65 59.86 1wz0 s ILE 25 Cb -0.04 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 1wz0 s ILE 25 CO 0.05 0.55 0.33 0.20 0.24 0.00 0.00 174.94 176.31 1wz0 s ASN 26 N -0.23 6.30 -0.14 4.36 0.01 -1.26 -3.31 114.94 120.67 1wz0 s ASN 26 Ca 0.02 0.35 -0.00 0.00 -0.71 0.00 0.00 52.86 52.52 1wz0 s ASN 26 Cb -0.13 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1wz0 s ASN 26 CO 0.03 -0.07 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.67 1wz0 s LEU 27 N 1.44 2.71 -0.45 0.60 1.43 -1.05 -1.16 118.68 122.18 1wz0 s LEU 27 Ca 0.15 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 1wz0 s LEU 27 Cb -0.15 -1.62 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1wz0 s LEU 27 CO 0.08 0.14 0.62 -0.54 0.23 0.00 0.00 176.35 176.87 1wz0 s LYS 28 N 0.51 3.22 -0.17 1.70 1.02 0.55 -2.67 119.74 123.90 1wz0 s LYS 28 Ca -0.09 -0.53 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 1wz0 s LYS 28 Cb -0.16 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.13 1wz0 s LYS 28 CO 0.04 -1.05 0.53 0.08 -0.92 0.00 0.00 175.35 174.04 1wz0 s VAL 29 N 2.72 5.11 -0.07 3.17 1.01 0.95 0.68 120.40 133.98 1wz0 s VAL 29 Ca 0.20 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 1wz0 s VAL 29 Cb -0.15 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1wz0 s VAL 29 CO 0.17 0.21 -0.00 0.00 0.00 0.00 0.00 175.10 175.48 1wz0 s ALA 30 N 1.35 3.26 -0.09 5.51 0.00 -0.50 -1.57 121.76 129.73 1wz0 s ALA 30 Ca 0.26 -0.83 0.14 0.00 0.00 0.00 0.00 51.96 51.53 1wz0 s ALA 30 Cb -0.16 -1.44 0.30 0.00 0.00 0.00 0.00 23.12 21.82 1wz0 s ALA 30 CO 0.10 0.60 1.14 0.41 0.00 0.00 0.00 175.76 178.01 1wz0 n GLY 31 N 2.04 3.04 3.24 0.00 0.00 -1.26 -2.14 105.19 110.12 1wz0 n GLY 31 Ca -0.18 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.55 -1.90 -0.11 1.61 -0.06 -1.26 -4.70 117.38 110.40 1wz0 n GLN 32 Ca 0.11 0.06 -0.15 0.00 -2.00 0.00 0.00 57.00 55.02 1wz0 n GLN 32 Cb 0.79 -4.27 -0.11 0.00 -4.06 0.00 0.00 30.24 22.59 1wz0 n GLN 32 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 1wz0 n ASP 33 N -1.77 1.92 0.00 1.69 2.03 -1.26 -5.02 116.55 114.15 1wz0 n ASP 33 Ca 0.05 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1wz0 n ASP 33 Cb 0.44 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 1wz0 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wz0 n GLY 34 N 2.30 0.61 3.61 0.27 0.00 -1.26 -5.14 105.19 105.58 1wz0 n GLY 34 Ca -0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1wz0 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wz0 s SER 35 N 0.00 3.33 -0.04 1.61 0.15 -1.26 -5.15 113.70 112.34 1wz0 s SER 35 Ca 0.00 -1.69 0.03 0.00 0.70 0.00 0.00 55.95 54.99 1wz0 s SER 35 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wz0 s SER 35 CO 0.00 -0.93 -0.12 -0.69 1.20 0.00 0.00 173.24 172.70 1wz0 s VAL 36 N -3.08 1.04 -0.23 4.45 1.01 -1.26 -4.38 120.40 117.96 1wz0 s VAL 36 Ca 0.16 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1wz0 s VAL 36 Cb 0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1wz0 s VAL 36 CO 0.10 0.32 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 1wz0 s VAL 37 N 0.23 4.14 0.28 2.92 1.01 -0.61 -4.94 120.40 123.43 1wz0 s VAL 37 Ca -0.05 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.75 1wz0 s VAL 37 Cb -0.11 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1wz0 s VAL 37 CO 0.01 0.38 0.39 -1.10 0.00 0.00 0.00 175.10 174.78 1wz0 s GLN 38 N 1.34 3.24 -0.21 2.72 -0.21 -1.26 -0.03 119.66 125.25 1wz0 s GLN 38 Ca 0.05 -0.91 -0.11 0.00 0.02 0.00 0.00 55.36 54.41 1wz0 s GLN 38 Cb -0.15 -2.82 0.07 0.00 1.00 0.00 0.00 33.01 31.12 1wz0 s GLN 38 CO 0.02 0.27 0.50 -0.06 -2.12 0.00 0.00 175.29 173.90 1wz0 s PHE 39 N -2.08 -0.79 -0.39 0.91 0.40 -1.09 -4.97 117.98 109.97 1wz0 s PHE 39 Ca 0.39 1.60 -0.09 0.00 -0.60 0.00 0.00 56.93 58.23 1wz0 s PHE 39 Cb -0.09 0.40 0.06 0.00 0.51 0.00 0.00 43.02 43.90 1wz0 s PHE 39 CO 0.29 -0.42 0.21 0.21 0.70 0.00 0.00 175.22 176.21 1wz0 s LYS 40 N 1.64 2.64 0.38 0.44 2.20 -1.26 -2.54 119.74 123.24 1wz0 s LYS 40 Ca -0.09 -1.32 0.04 0.00 -0.36 0.00 0.00 55.97 54.24 1wz0 s LYS 40 Cb -0.08 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1wz0 s LYS 40 CO -0.15 -0.83 0.11 0.96 -0.36 0.00 0.00 175.35 175.08 1wz0 s ILE 41 N 1.44 0.74 0.40 5.43 -4.36 -1.21 -4.96 121.20 118.68 1wz0 s ILE 41 Ca 0.02 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.31 1wz0 s ILE 41 Cb -0.21 -2.47 -0.06 0.00 1.25 0.00 0.00 42.46 40.97 1wz0 s ILE 41 CO 0.03 0.00 0.75 -0.54 0.24 0.00 0.00 174.94 175.42 1wz0 s LYS 42 N -3.78 3.74 0.48 0.37 1.02 -1.26 -1.93 119.74 118.39 1wz0 s LYS 42 Ca 0.27 0.39 0.25 0.00 0.02 0.00 0.00 55.97 56.90 1wz0 s LYS 42 Cb 0.04 -2.42 1.22 0.00 -0.52 0.00 0.00 37.83 36.15 1wz0 s LYS 42 CO 0.14 -0.02 1.97 0.07 -0.92 0.00 0.00 175.35 176.59 1wz0 h ARG 43 N 1.21 0.00 0.00 1.68 0.11 -1.95 -2.19 114.38 113.23 1wz0 h ARG 43 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1wz0 h ARG 43 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1wz0 h ARG 43 CO 0.64 0.18 -0.84 -2.39 0.10 0.00 0.00 179.97 177.66 1wz0 n HIS 44 N -3.62 0.00 -2.73 4.08 1.44 -1.26 -2.42 115.22 110.71 1wz0 n HIS 44 Ca -0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.28 1wz0 n HIS 44 Cb 0.31 -0.09 -0.04 0.00 0.12 0.00 0.00 29.99 30.29 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 -3.00 4.68 0.21 0.61 2.01 -0.83 -4.94 115.64 114.38 1wz0 s THR 45 Ca 0.09 2.04 -0.30 0.00 0.31 0.00 0.00 61.69 63.83 1wz0 s THR 45 Cb 0.16 -4.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 1wz0 s THR 45 CO 0.81 0.25 1.30 -2.16 -0.69 0.00 0.00 174.62 174.13 1wz0 s PRO 46 N 0.46 4.40 0.65 4.92 0.04 -1.26 -4.01 135.00 140.19 1wz0 s PRO 46 Ca 0.49 2.05 0.21 0.00 0.04 0.00 0.00 61.00 63.78 1wz0 s PRO 46 Cb -0.22 -3.19 1.10 0.00 0.04 0.00 0.00 34.50 32.23 1wz0 s PRO 46 CO 0.29 -0.23 1.62 -0.07 0.04 0.00 0.00 177.00 178.65 1wz0 h LEU 47 N 5.21 0.00 -0.76 -3.56 3.38 -1.39 -2.70 115.31 115.49 1wz0 h LEU 47 Ca -0.45 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.62 1wz0 h LEU 47 Cb 1.22 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.85 1wz0 h LEU 47 CO 0.76 0.00 -0.34 -0.24 0.09 0.00 0.00 178.44 178.71 1wz0 n SER 48 N -2.89 -0.59 -0.27 -0.43 2.88 -1.02 0.17 113.62 111.47 1wz0 n SER 48 Ca 0.01 1.33 -0.06 0.00 -1.33 0.00 0.00 58.87 58.82 1wz0 n SER 48 Cb 0.66 -0.26 0.06 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.05 0.30 -1.46 6.56 -1.82 -1.21 116.57 119.99 1wz0 h LYS 49 Ca 0.22 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 1wz0 h LYS 49 Cb 0.41 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1wz0 h LYS 49 CO -0.74 0.80 -0.22 1.25 -2.06 0.00 0.00 179.45 178.49 1wz0 h LEU 50 N 1.03 -0.55 0.33 2.94 5.85 0.15 -1.27 115.31 123.79 1wz0 h LEU 50 Ca 0.26 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1wz0 h LEU 50 Cb 0.08 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1wz0 h LEU 50 CO -0.04 -0.33 -0.24 0.24 -0.34 0.00 0.00 178.44 177.72 1wz0 h MET 51 N -0.51 -0.55 -0.44 1.25 2.86 -0.37 -1.44 114.93 115.71 1wz0 h MET 51 Ca -0.02 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1wz0 h MET 51 Cb 0.44 0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.13 1wz0 h MET 51 CO 0.01 -0.37 -0.41 0.87 1.06 0.00 0.00 176.91 178.07 1wz0 h LYS 52 N -0.58 -0.28 -0.95 1.72 1.57 -1.15 0.14 116.57 117.05 1wz0 h LYS 52 Ca -0.03 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1wz0 h LYS 52 Cb 0.50 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.79 1wz0 h LYS 52 CO 0.00 -0.19 0.61 0.00 -0.57 0.00 0.00 179.45 179.31 1wz0 h ALA 53 N 0.55 1.59 0.00 3.86 0.00 -1.09 0.79 119.26 124.96 1wz0 h ALA 53 Ca 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1wz0 h ALA 53 Cb 0.57 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wz0 h ALA 53 CO -0.59 0.19 -0.15 -0.92 0.00 0.00 0.00 179.25 177.78 1wz0 h TYR 54 N 0.93 0.00 0.00 0.00 5.03 0.34 -1.14 116.97 122.13 1wz0 h TYR 54 Ca 0.46 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.76 1wz0 h TYR 54 Cb 0.46 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.74 1wz0 h TYR 54 CO -0.00 0.15 -0.05 0.00 -1.32 0.00 0.00 178.16 176.94 1wz0 h GLU 56 N -1.00 0.41 -0.85 0.00 4.11 -1.10 0.47 114.58 116.62 1wz0 h GLU 56 Ca -0.01 -0.02 0.22 0.00 0.07 0.00 0.00 59.36 59.61 1wz0 h GLU 56 Cb 0.49 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.51 1wz0 h GLU 56 CO -0.01 0.27 0.20 -0.09 0.07 0.00 0.00 179.01 179.46 1wz0 h ARG 57 N 0.43 0.20 -0.09 1.06 2.43 -1.35 0.59 114.38 117.65 1wz0 h ARG 57 Ca 0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1wz0 h ARG 57 Cb 0.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wz0 h ARG 57 CO -0.36 0.13 0.00 1.04 -1.51 0.00 0.00 179.97 179.27 1wz0 n GLN 58 N -5.24 2.22 -2.65 0.20 1.13 -0.47 -4.95 117.38 107.62 1wz0 n GLN 58 Ca 0.20 -1.79 -0.13 0.00 -1.94 0.00 0.00 57.00 53.33 1wz0 n GLN 58 Cb 0.63 -1.47 0.02 0.00 0.11 0.00 0.00 30.24 29.53 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 1.34 -0.06 2.00 1.08 0.00 0.21 -5.02 105.19 104.72 1wz0 n GLY 59 Ca 0.16 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 0.00 -4.60 0.99 4.77 0.65 -4.95 117.00 111.42 1wz0 n LEU 60 Ca -0.08 -1.59 -0.30 0.00 -0.03 0.00 0.00 56.01 54.02 1wz0 n LEU 60 Cb 0.58 0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 1wz0 n LEU 60 CO 0.27 -0.37 -0.41 -0.44 -1.33 0.00 0.00 177.39 175.12 1wz0 s SER 61 N -2.64 4.51 0.16 -1.43 0.01 -1.26 -4.10 113.70 108.94 1wz0 s SER 61 Ca 0.11 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 1wz0 s SER 61 Cb -0.01 -0.90 0.09 0.00 0.21 0.00 0.00 66.02 65.41 1wz0 s SER 61 CO 0.07 0.17 1.72 0.24 0.41 0.00 0.00 173.24 175.85 1wz0 h MET 62 N 3.55 0.15 -0.28 12.44 0.00 -1.92 -2.34 114.93 126.54 1wz0 h MET 62 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1wz0 h MET 62 Cb 1.17 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.72 1wz0 h MET 62 CO 0.54 0.10 0.19 0.07 0.00 0.00 0.00 176.91 177.80 1wz0 h ARG 63 N 0.16 0.38 -0.98 1.72 0.11 -2.01 -1.88 114.38 111.87 1wz0 h ARG 63 Ca 0.18 -0.02 0.28 0.00 0.10 0.00 0.00 59.98 60.52 1wz0 h ARG 63 Cb 0.23 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 31.19 1wz0 h ARG 63 CO -0.26 0.26 0.81 0.37 0.10 0.00 0.00 179.97 181.25 1wz0 h GLN 64 N 0.38 0.00 -5.59 0.08 4.15 -1.84 -3.40 115.11 108.89 1wz0 h GLN 64 Ca 0.10 0.00 -0.63 0.00 0.77 0.00 0.00 58.65 58.89 1wz0 h GLN 64 Cb -0.04 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.54 1wz0 h GLN 64 CO -0.02 0.00 -0.54 0.96 -1.93 0.00 0.00 178.83 177.30 1wz0 s ILE 65 N -4.78 1.80 0.02 2.39 -4.36 -0.71 -4.60 121.20 110.96 1wz0 s ILE 65 Ca -0.04 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.45 1wz0 s ILE 65 Cb 0.20 -2.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1wz0 s ILE 65 CO 0.69 0.00 -0.07 -0.60 0.24 0.00 0.00 174.94 175.20 1wz0 s ARG 66 N -3.82 0.50 -0.05 0.37 6.06 -1.21 -4.87 118.95 115.93 1wz0 s ARG 66 Ca 0.28 -0.48 0.02 0.00 -2.50 0.00 0.00 55.73 53.05 1wz0 s ARG 66 Cb 0.06 -0.38 -0.03 0.00 0.06 0.00 0.00 34.95 34.66 1wz0 s ARG 66 CO 0.15 0.09 -0.08 -0.06 -2.50 0.00 0.00 175.30 172.90 1wz0 s PHE 67 N -0.73 2.89 0.04 5.12 0.40 -1.26 -2.60 117.98 121.84 1wz0 s PHE 67 Ca -0.04 -0.02 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1wz0 s PHE 67 Cb -0.06 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 1wz0 s PHE 67 CO 0.00 0.32 0.04 1.03 0.70 0.00 0.00 175.22 177.31 1wz0 s ARG 68 N -0.96 0.57 -0.17 0.44 1.81 0.52 -3.06 118.95 118.11 1wz0 s ARG 68 Ca 0.13 -0.91 -0.05 0.00 -1.72 0.00 0.00 55.73 53.19 1wz0 s ARG 68 Cb -0.11 0.21 0.09 0.00 -0.45 0.00 0.00 34.95 34.69 1wz0 s ARG 68 CO 0.03 -0.13 0.30 0.12 -0.68 0.00 0.00 175.30 174.94 1wz0 s PHE 69 N -2.99 -0.52 -1.75 -0.53 5.36 -0.14 -0.24 117.98 117.17 1wz0 s PHE 69 Ca -0.02 0.87 -0.00 0.00 -0.96 0.00 0.00 56.93 56.82 1wz0 s PHE 69 Cb 0.01 -0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.65 1wz0 s PHE 69 CO -0.06 -0.49 0.06 -3.47 -1.46 0.00 0.00 175.22 169.79 1wz0 n ASP 70 N 5.35 -5.90 -0.57 6.13 2.03 -1.26 -1.78 116.55 120.56 1wz0 n ASP 70 Ca -0.06 -0.04 -0.04 0.00 0.52 0.00 0.00 54.79 55.17 1wz0 n ASP 70 Cb 0.50 -4.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.01 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 -1.07 0.36 2.93 0.27 0.00 -1.26 -5.05 105.19 101.37 1wz0 n GLY 71 Ca -0.23 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.47 0.24 -0.29 1.61 -1.52 -0.73 -5.11 119.66 109.39 1wz0 s GLN 72 Ca 0.03 -0.15 -0.29 0.00 -1.95 0.00 0.00 55.36 53.00 1wz0 s GLN 72 Cb -0.01 -0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 32.56 1wz0 s GLN 72 CO 0.03 0.05 1.66 -1.25 -0.25 0.00 0.00 175.29 175.54 1wz0 s PRO 73 N -0.20 3.59 0.02 2.91 0.04 -1.26 -0.97 135.00 139.13 1wz0 s PRO 73 Ca -0.00 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.50 1wz0 s PRO 73 Cb -0.02 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.39 1wz0 s PRO 73 CO -0.00 -1.55 0.19 0.96 0.04 0.00 0.00 177.00 176.64 1wz0 s ILE 74 N 5.88 5.40 0.27 0.56 -4.36 -1.17 -4.97 121.20 122.81 1wz0 s ILE 74 Ca 0.73 -0.25 0.11 0.00 -0.26 0.00 0.00 60.65 60.99 1wz0 s ILE 74 Cb -0.22 -3.56 -0.05 0.00 1.25 0.00 0.00 42.46 39.88 1wz0 s ILE 74 CO 0.31 0.26 -0.16 0.20 0.24 0.00 0.00 174.94 175.79 1wz0 s ASN 75 N -2.14 3.77 0.20 4.36 -0.87 -1.26 -4.66 114.94 114.34 1wz0 s ASN 75 Ca 0.30 -0.94 -0.11 0.00 -1.57 0.00 0.00 52.86 50.54 1wz0 s ASN 75 Cb -0.13 -0.41 0.14 0.00 -0.02 0.00 0.00 41.25 40.84 1wz0 s ASN 75 CO 0.22 0.04 1.87 1.05 -2.57 0.00 0.00 177.10 177.71 1wz0 h GLU 76 N 2.27 0.93 -0.38 -0.60 4.11 -1.95 -2.76 114.58 116.19 1wz0 h GLU 76 Ca -0.41 -0.06 0.07 0.00 0.07 0.00 0.00 59.36 59.03 1wz0 h GLU 76 Cb 1.25 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1wz0 h GLU 76 CO 0.59 0.61 -0.01 1.79 0.07 0.00 0.00 179.01 182.07 1wz0 h THR 77 N 0.95 0.70 -3.69 -1.06 1.35 -1.96 -2.67 112.91 106.53 1wz0 h THR 77 Ca 0.26 -0.03 -0.55 0.00 -0.55 0.00 0.00 66.41 65.54 1wz0 h THR 77 Cb -0.10 0.60 0.19 0.00 -1.73 0.00 0.00 68.15 67.11 1wz0 h THR 77 CO -0.06 0.02 -0.05 0.47 -0.25 0.00 0.00 175.52 175.64 1wz0 n ASP 78 N -5.20 -0.14 -4.68 5.36 9.92 -1.04 -4.75 116.55 116.01 1wz0 n ASP 78 Ca 0.02 0.58 -0.23 0.00 -0.53 0.00 0.00 54.79 54.63 1wz0 n ASP 78 Cb 0.20 -1.36 -0.07 0.00 -0.64 0.00 0.00 41.12 39.26 1wz0 n ASP 78 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wz0 s THR 79 N -2.00 3.70 -1.11 -3.53 -4.23 -1.26 -2.83 115.64 104.38 1wz0 s THR 79 Ca 0.69 -1.72 0.14 0.00 -1.18 0.00 0.00 61.69 59.63 1wz0 s THR 79 Cb -0.31 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 70.72 1wz0 s THR 79 CO 0.55 -0.32 1.44 -0.81 -0.54 0.00 0.00 174.62 174.94 1wz0 n PRO 80 N -0.80 0.05 -0.01 3.99 -0.04 -1.25 -2.64 135.00 134.29 1wz0 n PRO 80 Ca -0.07 0.23 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 1wz0 n PRO 80 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 1wz0 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wz0 n ALA 81 N -1.45 1.14 0.11 0.55 0.00 -1.02 -0.24 120.51 119.61 1wz0 n ALA 81 Ca 0.04 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.86 1wz0 n ALA 81 Cb 0.15 -0.71 0.53 0.00 0.00 0.00 0.00 19.45 19.43 1wz0 n ALA 81 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wz0 h GLN 82 N 0.04 0.27 -0.24 0.00 5.75 -1.79 0.10 115.11 119.24 1wz0 h GLN 82 Ca -0.38 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1wz0 h GLN 82 Cb 2.03 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.52 1wz0 h GLN 82 CO 0.08 0.18 0.00 1.28 -2.65 0.00 0.00 178.83 177.72 1wz0 n LEU 83 N -4.50 2.84 -3.49 -2.39 4.77 -1.24 -4.96 117.00 108.03 1wz0 n LEU 83 Ca 0.01 -1.15 -0.18 0.00 -0.03 0.00 0.00 56.01 54.66 1wz0 n LEU 83 Cb 0.12 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1wz0 n LEU 83 CO 0.35 0.57 0.06 -0.62 -1.33 0.00 0.00 177.39 176.42 1wz0 n GLU 84 N 1.12 -6.01 -2.11 3.23 1.02 0.02 -4.88 120.64 113.03 1wz0 n GLU 84 Ca 0.18 0.79 -0.41 0.00 -0.02 0.00 0.00 57.16 57.70 1wz0 n GLU 84 Cb 0.53 -5.69 -0.03 0.00 -0.02 0.00 0.00 31.44 26.23 1wz0 n GLU 84 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1wz0 s MET 85 N -5.47 3.11 0.97 3.49 -1.94 0.67 -4.98 119.30 115.15 1wz0 s MET 85 Ca 0.02 0.96 -0.14 0.00 -1.71 0.00 0.00 55.69 54.83 1wz0 s MET 85 Cb -0.00 -4.23 0.18 0.00 2.01 0.00 0.00 34.83 32.78 1wz0 s MET 85 CO 0.75 -2.13 1.15 -1.21 -0.01 0.00 0.00 175.02 173.56 1wz0 s GLU 86 N 6.03 0.61 0.71 2.03 2.02 -1.26 -4.90 118.70 123.94 1wz0 s GLU 86 Ca 0.70 0.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.75 1wz0 s GLU 86 Cb -0.16 -1.79 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1wz0 s GLU 86 CO 0.28 -2.54 1.11 0.16 0.02 0.00 0.00 175.26 174.29 1wz0 s ASP 87 N -4.01 4.79 -1.34 -0.19 1.47 -1.26 -3.12 116.67 113.01 1wz0 s ASP 87 Ca 0.66 1.97 0.00 0.00 1.18 0.00 0.00 52.55 56.37 1wz0 s ASP 87 Cb -0.13 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 39.90 1wz0 s ASP 87 CO 0.54 -1.84 0.00 -0.62 0.68 0.00 0.00 175.17 173.93 1wz0 n GLU 88 N -2.83 -1.96 -0.59 2.11 1.02 -0.71 -4.92 120.64 112.77 1wz0 n GLU 88 Ca 0.10 0.76 -0.22 0.00 -0.02 0.00 0.00 57.16 57.78 1wz0 n GLU 88 Cb 0.52 -5.34 0.20 0.00 -0.02 0.00 0.00 31.44 26.80 1wz0 n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wz0 n ASP 89 N -1.73 -2.35 -3.69 1.62 9.92 -0.31 -4.76 116.55 115.24 1wz0 n ASP 89 Ca -0.18 -0.89 -0.16 0.00 -0.53 0.00 0.00 54.79 53.03 1wz0 n ASP 89 Cb 0.62 -0.74 -0.16 0.00 -0.64 0.00 0.00 41.12 40.20 1wz0 n ASP 89 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1wz0 s THR 90 N -2.27 -0.20 0.00 -3.53 2.01 -1.26 -0.33 115.64 110.06 1wz0 s THR 90 Ca 0.52 0.33 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 1wz0 s THR 90 Cb -0.06 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 1wz0 s THR 90 CO 0.41 0.14 0.21 -0.63 -0.69 0.00 0.00 174.62 174.05 1wz0 s ILE 91 N 2.03 5.40 -0.25 1.82 1.01 0.21 -4.67 121.20 126.75 1wz0 s ILE 91 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 1wz0 s ILE 91 Cb -0.12 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1wz0 s ILE 91 CO -0.05 0.31 0.07 -1.81 0.00 0.00 0.00 174.94 173.46 1wz0 s ASP 92 N -1.94 5.20 0.08 3.58 1.01 0.66 -1.40 116.67 123.86 1wz0 s ASP 92 Ca 0.28 -0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.37 1wz0 s ASP 92 Cb -0.13 -1.93 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1wz0 s ASP 92 CO 0.19 -0.02 -0.05 -0.69 0.21 0.00 0.00 175.17 174.80 1wz0 s VAL 93 N 1.54 0.52 -0.18 -1.27 1.01 -0.91 0.20 120.40 121.30 1wz0 s VAL 93 Ca 0.06 -1.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.11 1wz0 s VAL 93 Cb -0.15 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.67 1wz0 s VAL 93 CO 0.04 -0.92 0.07 -0.36 0.00 0.00 0.00 175.10 173.94 1wz0 s PHE 94 N -3.72 0.48 0.02 5.22 0.40 -1.07 -4.13 117.98 115.19 1wz0 s PHE 94 Ca 0.10 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 1wz0 s PHE 94 Cb 0.06 -0.82 -0.03 0.00 0.51 0.00 0.00 43.02 42.74 1wz0 s PHE 94 CO -0.07 -0.56 -0.19 1.14 0.70 0.00 0.00 175.22 176.24 1wz0 s GLN 95 N 2.04 2.12 -0.15 0.44 -2.07 -1.26 -3.33 119.66 117.45 1wz0 s GLN 95 Ca 0.01 -0.94 -0.04 0.00 -1.82 0.00 0.00 55.36 52.58 1wz0 s GLN 95 Cb -0.16 -2.18 -0.03 0.00 -1.09 0.00 0.00 33.01 29.54 1wz0 s GLN 95 CO -0.10 0.55 -0.03 -0.65 -1.32 0.00 0.00 175.29 173.74 1wz0 s GLN 96 N -1.20 3.65 0.36 9.60 -1.52 -1.26 -5.04 119.66 124.25 1wz0 s GLN 96 Ca 0.13 -0.50 0.08 0.00 -1.95 0.00 0.00 55.36 53.12 1wz0 s GLN 96 Cb -0.10 -2.92 -0.06 0.00 -0.22 0.00 0.00 33.01 29.71 1wz0 s GLN 96 CO 0.03 0.27 0.04 -1.14 -0.25 0.00 0.00 175.29 174.24 1wz0 s GLN 97 N 0.28 2.07 0.41 2.91 0.74 -1.26 -5.09 119.66 119.72 1wz0 s GLN 97 Ca -0.03 -1.82 0.08 0.00 0.05 0.00 0.00 55.36 53.64 1wz0 s GLN 97 Cb -0.14 -1.89 0.01 0.00 1.10 0.00 0.00 33.01 32.09 1wz0 s GLN 97 CO 0.03 0.07 0.54 0.95 -0.55 0.00 0.00 175.29 176.33 1wz0 s THR 98 N -2.56 3.14 -0.71 -0.34 -4.23 -1.26 -5.03 115.64 104.65 1wz0 s THR 98 Ca 0.36 -1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1wz0 s THR 98 Cb 0.02 -3.06 0.39 0.00 1.34 0.00 0.00 72.50 71.19 1wz0 s THR 98 CO 0.20 -0.02 1.81 -0.24 -0.54 0.00 0.00 174.62 175.82 1wz0 n SER 99 N -1.80 6.89 0.00 3.99 2.88 -1.26 -4.83 113.62 119.49 1wz0 n SER 99 Ca 0.06 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 1wz0 n SER 99 Cb 0.59 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 1wz0 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wz0 n GLY 100 N -0.60 1.06 3.70 0.46 0.00 -1.26 -5.02 105.19 103.53 1wz0 n GLY 100 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 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 1.31 0.89 -1.46 1.61 0.04 -1.26 -3.76 135.00 132.36 1wz0 s PRO 101 Ca 0.00 0.69 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 1wz0 s PRO 101 Cb 0.00 -1.78 0.07 0.00 0.04 0.00 0.00 34.50 32.83 1wz0 s PRO 101 CO 0.00 -2.46 0.17 -1.13 0.04 0.00 0.00 177.00 173.62 1wz0 n SER 102 N -4.01 0.04 -4.55 6.66 3.41 -1.26 -4.90 113.62 109.01 1wz0 n SER 102 Ca 0.06 -1.12 -0.28 0.00 -0.26 0.00 0.00 58.87 57.27 1wz0 n SER 102 Cb 0.56 -1.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 1wz0 n SER 102 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wz0 s SER 103 N -3.82 4.18 0.00 4.04 0.01 -1.25 -5.12 113.70 111.75 1wz0 s SER 103 Ca 0.24 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.00 1wz0 s SER 103 Cb -0.14 -0.70 0.20 0.00 0.21 0.00 0.00 66.02 65.59 1wz0 s SER 103 CO 0.89 0.14 0.68 0.61 0.41 0.00 0.00 173.24 175.97