#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cff s THR 6 N 0.00 2.41 0.13 -5.08 -4.23 -1.26 -5.05 115.64 102.56 3cff s THR 6 Ca 0.00 -1.72 0.26 0.00 -1.18 0.00 0.00 61.69 59.06 3cff s THR 6 Cb 0.00 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.13 3cff s THR 6 CO 0.00 -0.04 1.86 -0.08 -0.54 0.00 0.00 174.62 175.83 3cff h GLU 7 N 1.47 0.00 -4.72 3.99 4.81 -2.00 -3.33 114.58 114.79 3cff h GLU 7 Ca -0.43 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.14 3cff h GLU 7 Cb 1.25 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 30.24 3cff h GLU 7 CO 0.69 0.17 -0.74 0.99 -0.73 0.00 0.00 179.01 179.39 3cff s THR 8 N -3.66 2.24 -0.24 0.32 2.01 -1.26 -3.98 115.64 111.07 3cff s THR 8 Ca 0.01 -2.17 -0.08 0.00 0.31 0.00 0.00 61.69 59.76 3cff s THR 8 Cb 0.10 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 3cff s THR 8 CO 0.62 -0.46 0.10 -0.04 -0.69 0.00 0.00 174.62 174.14 3cff s MET 9 N 0.96 3.83 0.52 4.92 -1.94 -0.53 -4.92 119.30 122.13 3cff s MET 9 Ca 0.06 -0.40 -0.16 0.00 -1.71 0.00 0.00 55.69 53.48 3cff s MET 9 Cb -0.19 -3.37 -0.08 0.00 2.01 0.00 0.00 34.83 33.20 3cff s MET 9 CO -0.07 -0.04 0.98 -1.25 -0.01 0.00 0.00 175.02 174.63 3cff s PRO 10 N 1.26 3.94 0.04 2.03 0.04 -1.26 -1.87 135.00 139.18 3cff s PRO 10 Ca 0.05 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 3cff s PRO 10 Cb -0.14 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 3cff s PRO 10 CO 0.04 -0.28 0.02 -0.59 0.04 0.00 0.00 177.00 176.24 3cff s PHE 11 N -2.64 0.36 0.06 0.56 -0.12 0.43 -4.94 117.98 111.70 3cff s PHE 11 Ca 0.59 -0.78 0.04 0.00 -0.05 0.00 0.00 56.93 56.72 3cff s PHE 11 Cb -0.10 -0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 3cff s PHE 11 CO 0.32 -0.36 -0.11 -0.98 -0.05 0.00 0.00 175.22 174.04 3cff s ARG 12 N -3.13 0.71 0.01 1.99 1.70 -1.26 -1.45 118.95 117.53 3cff s ARG 12 Ca -0.00 -0.90 0.03 0.00 -0.47 0.00 0.00 55.73 54.38 3cff s ARG 12 Cb 0.02 -0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 33.80 3cff s ARG 12 CO -0.07 0.12 -0.09 1.41 -1.08 0.00 0.00 175.30 175.59 3cff s MET 13 N -1.80 0.70 -0.00 3.89 1.75 0.12 -4.96 119.30 118.99 3cff s MET 13 Ca -0.04 -0.47 0.05 0.00 -1.25 0.00 0.00 55.69 53.98 3cff s MET 13 Cb -0.09 -0.65 -0.01 0.00 2.84 0.00 0.00 34.83 36.91 3cff s MET 13 CO 0.01 0.17 -0.16 0.95 -0.65 0.00 0.00 175.02 175.35 3cff s THR 14 N -0.52 1.24 -0.01 10.11 -4.23 -1.26 -0.96 115.64 120.01 3cff s THR 14 Ca 0.01 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 3cff s THR 14 Cb -0.05 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.76 3cff s THR 14 CO 0.00 0.31 0.01 -0.32 -0.54 0.00 0.00 174.62 174.08 3cff s MET 15 N -0.48 0.08 -0.00 3.99 1.75 0.53 -4.99 119.30 120.18 3cff s MET 15 Ca 0.06 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 3cff s MET 15 Cb -0.06 -0.24 -0.00 0.00 2.84 0.00 0.00 34.83 37.37 3cff s MET 15 CO -0.00 -0.09 -0.03 -2.00 -0.65 0.00 0.00 175.02 172.25 3cff s GLU 16 N 0.65 0.25 0.23 4.11 2.12 -1.26 0.21 118.70 125.00 3cff s GLU 16 Ca -0.06 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 3cff s GLU 16 Cb -0.08 -0.25 0.06 0.00 0.26 0.00 0.00 34.13 34.12 3cff s GLU 16 CO -0.02 0.05 0.94 0.20 -0.54 0.00 0.00 175.26 175.89 3cff s GLY 17 N 0.01 0.05 -0.06 -1.50 0.00 -0.84 -5.03 107.32 99.95 3cff s GLY 17 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3cff s GLY 17 CO -0.00 0.93 -0.07 -1.59 0.00 0.00 0.00 173.10 172.36 3cff s THR 18 N -2.65 0.80 -0.12 0.90 2.01 -1.26 -1.37 115.64 113.95 3cff s THR 18 Ca 0.17 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 3cff s THR 18 Cb -0.03 -0.79 0.02 0.00 0.01 0.00 0.00 72.50 71.71 3cff s THR 18 CO 0.06 0.29 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 3cff s VAL 19 N 1.01 1.06 -1.50 3.82 1.01 -0.20 -4.78 120.40 120.82 3cff s VAL 19 Ca -0.09 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 3cff s VAL 19 Cb -0.14 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.25 3cff s VAL 19 CO -0.00 0.37 0.76 0.59 0.00 0.00 0.00 175.10 176.82 3cff n ASN 20 N 4.93 -4.19 0.00 3.32 4.13 -1.26 -1.15 115.26 121.04 3cff n ASN 20 Ca -0.13 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.45 3cff n ASN 20 Cb 0.50 -3.40 0.00 0.00 -1.54 0.00 0.00 39.78 35.34 3cff n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cff n GLY 21 N -1.44 1.53 3.61 7.41 0.00 -1.26 -5.02 105.19 110.02 3cff n GLY 21 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3cff n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cff s HIS 22 N -3.13 3.25 0.20 1.61 5.04 -0.30 -5.07 115.29 116.89 3cff s HIS 22 Ca 0.00 0.56 -0.20 0.00 -1.54 0.00 0.00 55.06 53.88 3cff s HIS 22 Cb 0.00 -2.72 -0.08 0.00 0.04 0.00 0.00 32.58 29.82 3cff s HIS 22 CO 0.00 -0.30 0.71 -1.58 -2.34 0.00 0.00 174.74 171.22 3cff s HIS 23 N 2.29 3.69 0.10 3.88 2.46 -1.26 -1.04 115.29 125.41 3cff s HIS 23 Ca 0.20 1.39 -0.16 0.00 0.47 0.00 0.00 55.06 56.96 3cff s HIS 23 Cb -0.16 -2.61 0.03 0.00 -0.13 0.00 0.00 32.58 29.72 3cff s HIS 23 CO 0.10 0.39 0.39 -0.59 -2.47 0.00 0.00 174.74 172.55 3cff s PHE 24 N -1.44 -0.19 0.01 3.88 -0.12 -0.47 -4.22 117.98 115.44 3cff s PHE 24 Ca 0.40 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.27 3cff s PHE 24 Cb -0.18 0.22 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 3cff s PHE 24 CO 0.21 -0.65 -0.10 0.15 -0.05 0.00 0.00 175.22 174.78 3cff s LYS 25 N -3.40 0.76 0.09 1.99 1.02 -0.26 -1.99 119.74 117.96 3cff s LYS 25 Ca 0.01 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.53 3cff s LYS 25 Cb 0.01 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 3cff s LYS 25 CO -0.09 0.18 -0.15 0.00 -0.92 0.00 0.00 175.35 174.37 3cff s THR 27 N -1.57 1.59 0.08 0.00 -4.23 -0.32 -0.34 115.64 110.85 3cff s THR 27 Ca 0.03 -2.17 -0.22 0.00 -1.18 0.00 0.00 61.69 58.14 3cff s THR 27 Cb -0.08 -2.01 0.06 0.00 1.34 0.00 0.00 72.50 71.80 3cff s THR 27 CO 0.03 -0.62 0.53 -0.83 -0.54 0.00 0.00 174.62 173.19 3cff s GLY 28 N -3.29 -0.46 0.04 3.99 0.00 -0.13 -0.74 107.32 106.73 3cff s GLY 28 Ca 0.21 0.53 -0.08 0.00 0.00 0.00 0.00 44.72 45.38 3cff s GLY 28 CO 0.06 0.22 0.16 -1.59 0.00 0.00 0.00 173.10 171.95 3cff s LYS 29 N -2.88 0.64 0.00 2.90 -2.85 -0.90 0.12 119.74 116.76 3cff s LYS 29 Ca -0.03 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 3cff s LYS 29 Cb -0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3cff s LYS 29 CO -0.05 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.63 3cff n GLY 30 N 0.78 1.80 3.32 0.59 0.00 -0.53 -0.82 105.19 110.34 3cff n GLY 30 Ca -0.19 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 3cff n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cff s GLU 31 N -1.15 1.05 0.23 1.61 -1.05 -0.39 -0.43 118.70 118.57 3cff s GLU 31 Ca 0.00 -0.66 -0.22 0.00 -0.15 0.00 0.00 54.97 53.94 3cff s GLU 31 Cb 0.00 0.46 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 3cff s GLU 31 CO 0.00 -0.40 0.91 0.20 0.95 0.00 0.00 175.26 176.92 3cff s GLY 32 N -2.69 0.00 -0.50 -3.83 0.00 -0.78 -0.87 107.32 98.65 3cff s GLY 32 Ca 0.02 -0.24 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 3cff s GLY 32 CO -0.11 0.57 0.47 0.21 0.00 0.00 0.00 173.10 174.24 3cff s ASN 33 N -3.09 6.17 0.49 1.64 3.84 0.63 -1.46 114.94 123.17 3cff s ASN 33 Ca 0.15 -1.36 0.18 0.00 0.21 0.00 0.00 52.86 52.04 3cff s ASN 33 Cb -0.03 -2.21 1.23 0.00 -0.55 0.00 0.00 41.25 39.68 3cff s ASN 33 CO 0.06 -0.76 2.04 -0.65 -2.79 0.00 0.00 177.10 175.00 3cff h PRO 34 N 8.85 0.14 0.00 0.43 0.11 -1.80 0.02 132.00 139.75 3cff h PRO 34 Ca -0.29 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 3cff h PRO 34 Cb 1.10 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3cff h PRO 34 CO 0.94 0.09 -1.61 1.19 -0.21 0.00 0.00 178.00 178.40 3cff n PHE 35 N -4.46 0.55 1.10 0.65 3.01 -1.26 -3.79 117.46 113.26 3cff n PHE 35 Ca 0.05 0.17 0.12 0.00 1.01 0.00 0.00 57.45 58.80 3cff n PHE 35 Cb 0.35 -0.86 0.17 0.00 -0.01 0.00 0.00 39.48 39.12 3cff n PHE 35 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3cff n GLU 36 N -2.62 0.73 -2.21 -1.08 -0.58 -1.08 -4.99 120.64 108.82 3cff n GLU 36 Ca -0.08 -0.53 -0.10 0.00 -0.42 0.00 0.00 57.16 56.03 3cff n GLU 36 Cb 0.72 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 30.10 3cff n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cff n GLY 37 N 1.41 -0.06 3.48 0.62 0.00 -0.03 -5.03 105.19 105.58 3cff n GLY 37 Ca 0.09 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3cff n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cff s THR 38 N -2.53 2.81 -0.02 2.61 -4.23 -1.05 -4.99 115.64 108.24 3cff s THR 38 Ca 0.00 -1.46 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3cff s THR 38 Cb -0.00 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.63 3cff s THR 38 CO 0.00 0.14 0.65 0.00 -0.54 0.00 0.00 174.62 174.87 3cff s GLN 39 N -2.03 1.07 0.01 3.99 -2.07 -1.26 -0.27 119.66 119.10 3cff s GLN 39 Ca 0.17 0.15 0.01 0.00 -1.82 0.00 0.00 55.36 53.87 3cff s GLN 39 Cb -0.11 0.50 -0.01 0.00 -1.09 0.00 0.00 33.01 32.31 3cff s GLN 39 CO 0.09 -0.35 -0.04 -0.51 -1.32 0.00 0.00 175.29 173.16 3cff s ASP 40 N -1.39 0.44 0.07 12.60 1.01 -0.05 -4.98 116.67 124.37 3cff s ASP 40 Ca -0.10 -0.26 -0.11 0.00 0.71 0.00 0.00 52.55 52.80 3cff s ASP 40 Cb -0.00 0.01 0.01 0.00 1.01 0.00 0.00 42.92 43.94 3cff s ASP 40 CO 0.07 -0.09 0.24 0.00 0.21 0.00 0.00 175.17 175.60 3cff s MET 41 N -0.70 0.82 -0.10 8.23 0.23 -1.26 -1.26 119.30 125.26 3cff s MET 41 Ca -0.05 -0.74 -0.02 0.00 -1.03 0.00 0.00 55.69 53.85 3cff s MET 41 Cb -0.05 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 3cff s MET 41 CO -0.00 -0.26 0.00 0.15 -2.03 0.00 0.00 175.02 172.88 3cff s LYS 42 N -3.20 3.13 -0.08 3.16 1.02 0.00 -4.97 119.74 118.81 3cff s LYS 42 Ca -0.00 -0.41 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3cff s LYS 42 Cb 0.02 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3cff s LYS 42 CO -0.07 0.62 -0.20 0.42 -0.92 0.00 0.00 175.35 175.19 3cff s ILE 43 N -0.66 1.76 -0.09 2.17 1.09 -1.26 -2.13 121.20 122.09 3cff s ILE 43 Ca 0.11 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.83 3cff s ILE 43 Cb -0.12 -1.53 -0.01 0.00 -1.06 0.00 0.00 42.46 39.74 3cff s ILE 43 CO 0.02 0.50 -0.22 -0.70 -0.10 0.00 0.00 174.94 174.44 3cff s GLU 44 N 0.33 2.94 -0.51 2.79 2.12 0.08 -4.99 118.70 121.46 3cff s GLU 44 Ca -0.14 -0.85 -0.26 0.00 0.36 0.00 0.00 54.97 54.08 3cff s GLU 44 Cb -0.16 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.94 3cff s GLU 44 CO 0.06 0.26 0.98 0.08 -0.54 0.00 0.00 175.26 176.10 3cff s VAL 45 N 0.15 4.37 -0.11 3.70 1.01 -1.26 -1.18 120.40 127.08 3cff s VAL 45 Ca -0.12 0.64 0.21 0.00 0.00 0.00 0.00 61.98 62.71 3cff s VAL 45 Cb -0.16 -4.52 -0.21 0.00 0.00 0.00 0.00 36.38 31.49 3cff s VAL 45 CO 0.07 -1.00 0.65 2.30 0.00 0.00 0.00 175.10 177.11 3cff n ILE 46 N 6.41 0.42 -4.04 2.22 -5.35 -0.06 -4.68 119.36 114.28 3cff n ILE 46 Ca 0.05 -0.56 -0.13 0.00 -0.27 0.00 0.00 62.75 61.84 3cff n ILE 46 Cb 0.48 -0.21 -0.13 0.00 -1.74 0.00 0.00 39.64 38.04 3cff n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3cff s GLU 47 N -3.33 0.31 0.00 6.28 2.02 -1.05 -4.85 118.70 118.08 3cff s GLU 47 Ca -0.05 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.65 3cff s GLU 47 Cb 0.11 -0.21 0.00 0.00 0.10 0.00 0.00 34.13 34.13 3cff s GLU 47 CO 0.86 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.60 3cff n GLY 48 N 2.56 0.50 3.86 -1.39 0.00 -1.26 -1.10 105.19 108.37 3cff n GLY 48 Ca -0.16 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3cff n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cff s GLY 49 N -2.13 2.13 0.24 -0.02 0.00 -1.26 -3.82 107.32 102.45 3cff s GLY 49 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.35 3cff s GLY 49 CO 0.00 0.13 1.19 2.56 0.00 0.00 0.00 173.10 176.97 3cff s PRO 50 N -3.45 4.51 -0.04 2.90 0.04 -1.26 -5.07 135.00 132.63 3cff s PRO 50 Ca 0.53 1.91 -0.35 0.00 0.04 0.00 0.00 61.00 63.13 3cff s PRO 50 Cb -0.10 -3.20 -0.14 0.00 0.04 0.00 0.00 34.50 31.10 3cff s PRO 50 CO 0.25 -0.02 1.72 1.28 0.04 0.00 0.00 177.00 180.27 3cff n LEU 51 N 1.86 2.96 -0.89 -3.56 4.77 -1.25 -4.85 117.00 116.05 3cff n LEU 51 Ca 0.02 1.04 0.02 0.00 -0.03 0.00 0.00 56.01 57.06 3cff n LEU 51 Cb 0.44 -1.32 0.12 0.00 -2.33 0.00 0.00 43.42 40.33 3cff n LEU 51 CO 0.56 -0.29 0.46 -0.81 -1.33 0.00 0.00 177.39 175.97 3cff n PRO 52 N 5.13 2.16 -3.86 3.23 -0.04 -1.26 -4.83 135.00 135.53 3cff n PRO 52 Ca 0.21 -0.97 -0.09 0.00 -0.04 0.00 0.00 63.50 62.61 3cff n PRO 52 Cb 0.25 -1.69 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 3cff n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cff s PHE 53 N -1.56 0.19 0.09 0.54 -0.12 -1.26 -5.13 117.98 110.72 3cff s PHE 53 Ca 0.17 -0.57 -0.31 0.00 -0.05 0.00 0.00 56.93 56.17 3cff s PHE 53 Cb 0.13 0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.44 3cff s PHE 53 CO 0.05 -0.67 1.87 0.00 -0.05 0.00 0.00 175.22 176.43 3cff s ALA 54 N -3.90 3.70 0.59 1.99 0.00 -1.26 -4.87 121.76 118.01 3cff s ALA 54 Ca 0.10 1.39 0.34 0.00 0.00 0.00 0.00 51.96 53.79 3cff s ALA 54 Cb 0.03 -3.79 1.96 0.00 0.00 0.00 0.00 23.12 21.32 3cff s ALA 54 CO -0.06 -1.35 2.27 0.35 0.00 0.00 0.00 175.76 176.98 3cff h PHE 55 N 9.30 0.00 -0.97 0.00 3.57 -2.00 -2.99 116.94 123.86 3cff h PHE 55 Ca -0.47 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.28 3cff h PHE 55 Cb 1.22 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 3cff h PHE 55 CO 0.85 0.01 0.66 -0.44 -2.23 0.00 0.00 178.31 177.16 3cff h ASP 56 N 0.00 0.26 0.61 0.41 3.32 -2.02 0.35 116.42 119.35 3cff h ASP 56 Ca -0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3cff h ASP 56 Cb 0.03 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3cff h ASP 56 CO 0.00 0.08 0.00 2.30 -1.72 0.00 0.00 179.24 179.90 3cff n ILE 57 N -4.44 0.91 0.87 0.35 -5.35 -1.13 -2.24 119.36 108.33 3cff n ILE 57 Ca 0.21 0.28 0.10 0.00 -0.27 0.00 0.00 62.75 63.07 3cff n ILE 57 Cb 0.88 -1.18 -0.11 0.00 -1.74 0.00 0.00 39.64 37.49 3cff n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3cff n LEU 58 N -2.06 0.86 -0.25 7.28 4.77 0.11 -4.64 117.00 123.07 3cff n LEU 58 Ca 0.02 -0.41 0.03 0.00 -0.03 0.00 0.00 56.01 55.61 3cff n LEU 58 Cb 0.20 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 3cff n LEU 58 CO 0.17 0.21 1.05 0.28 -1.33 0.00 0.00 177.39 177.77 3cff h SER 59 N 0.00 0.39 0.04 -1.43 0.02 -1.43 -0.52 113.55 110.63 3cff h SER 59 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3cff h SER 59 Cb 0.57 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3cff h SER 59 CO 0.00 0.20 0.00 0.35 -1.14 0.00 0.00 176.83 176.24 3cff n THR 60 N -4.92 0.03 0.48 -2.27 -2.24 -1.26 -2.76 114.28 101.35 3cff n THR 60 Ca 0.12 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.96 3cff n THR 60 Cb 0.32 -0.65 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 3cff n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cff n SER 61 N -1.03 1.17 -0.30 3.42 7.64 -0.21 -5.25 113.62 119.07 3cff n SER 61 Ca 0.17 -1.09 0.15 0.00 1.01 0.00 0.00 58.87 59.11 3cff n SER 61 Cb 0.09 0.53 0.68 0.00 -1.01 0.00 0.00 64.21 64.51 3cff n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03