#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 5.22 -1.30 -5.08 -4.23 -1.26 -4.99 115.64 103.99 3cff s THR 6 Ca 0.00 -0.38 0.14 0.00 -1.18 0.00 0.00 61.69 60.27 3cff s THR 6 Cb 0.00 -3.73 0.21 0.00 1.34 0.00 0.00 72.50 70.32 3cff s THR 6 CO 0.00 -0.15 1.40 -0.62 -0.54 0.00 0.00 174.62 174.71 3cff n GLU 7 N -0.61 0.14 -3.71 3.99 4.71 -1.26 -4.07 120.64 119.83 3cff n GLU 7 Ca -0.05 0.18 -0.21 0.00 -0.01 0.00 0.00 57.16 57.07 3cff n GLU 7 Cb 0.54 -1.50 -0.18 0.00 -1.01 0.00 0.00 31.44 29.29 3cff n GLU 7 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3cff s THR 8 N -2.70 0.09 -0.08 2.62 2.01 -1.26 -4.24 115.64 112.08 3cff s THR 8 Ca 0.11 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.42 3cff s THR 8 Cb 0.09 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.29 3cff s THR 8 CO 0.23 0.19 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.15 3cff s MET 9 N 2.09 2.18 0.43 4.92 -1.94 -0.05 -4.96 119.30 121.96 3cff s MET 9 Ca 0.05 -0.57 -0.09 0.00 -1.71 0.00 0.00 55.69 53.36 3cff s MET 9 Cb -0.12 -1.74 -0.06 0.00 2.01 0.00 0.00 34.83 34.92 3cff s MET 9 CO -0.04 0.06 0.78 -1.25 -0.01 0.00 0.00 175.02 174.56 3cff s PRO 10 N 0.62 3.71 0.04 2.03 0.04 -1.26 -1.30 135.00 138.88 3cff s PRO 10 Ca -0.15 0.42 -0.05 0.00 0.04 0.00 0.00 61.00 61.26 3cff s PRO 10 Cb -0.16 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3cff s PRO 10 CO 0.04 -0.10 0.08 -0.59 0.04 0.00 0.00 177.00 176.47 3cff s PHE 11 N -2.49 0.23 0.06 0.56 -0.12 0.24 -4.94 117.98 111.51 3cff s PHE 11 Ca 0.50 -0.54 0.05 0.00 -0.05 0.00 0.00 56.93 56.90 3cff s PHE 11 Cb -0.10 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 3cff s PHE 11 CO 0.36 -0.35 -0.15 -0.98 -0.05 0.00 0.00 175.22 174.05 3cff s ARG 12 N -2.56 0.90 0.02 1.99 1.70 -1.26 -1.32 118.95 118.42 3cff s ARG 12 Ca -0.05 -0.91 0.03 0.00 -0.47 0.00 0.00 55.73 54.32 3cff s ARG 12 Cb -0.02 -0.94 -0.02 0.00 -0.57 0.00 0.00 34.95 33.41 3cff s ARG 12 CO -0.04 0.22 -0.08 1.41 -1.08 0.00 0.00 175.30 175.72 3cff s MET 13 N -1.54 0.59 -0.02 3.89 1.75 0.04 -4.97 119.30 119.03 3cff s MET 13 Ca 0.00 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 53.93 3cff s MET 13 Cb -0.09 -0.48 -0.01 0.00 2.84 0.00 0.00 34.83 37.09 3cff s MET 13 CO 0.02 0.11 -0.13 0.95 -0.65 0.00 0.00 175.02 175.33 3cff s THR 14 N -0.80 1.01 -0.02 10.11 -4.23 -1.26 -1.15 115.64 119.30 3cff s THR 14 Ca -0.03 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3cff s THR 14 Cb -0.07 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 72.94 3cff s THR 14 CO 0.00 0.29 0.00 -0.32 -0.54 0.00 0.00 174.62 174.06 3cff s MET 15 N -0.20 0.15 0.02 3.99 1.75 0.13 -5.00 119.30 120.15 3cff s MET 15 Ca 0.03 0.06 0.02 0.00 -1.25 0.00 0.00 55.69 54.56 3cff s MET 15 Cb -0.06 -0.31 -0.02 0.00 2.84 0.00 0.00 34.83 37.29 3cff s MET 15 CO -0.00 -0.09 -0.08 -1.83 -0.65 0.00 0.00 175.02 172.37 3cff s GLU 16 N 0.70 0.57 0.19 4.11 -1.05 -1.26 -0.12 118.70 121.84 3cff s GLU 16 Ca -0.06 -0.53 -0.23 0.00 -0.15 0.00 0.00 54.97 53.99 3cff s GLU 16 Cb -0.09 -0.46 0.06 0.00 -0.44 0.00 0.00 34.13 33.19 3cff s GLU 16 CO -0.02 0.11 0.95 0.20 0.95 0.00 0.00 175.26 177.46 3cff s GLY 17 N -0.92 -0.07 -0.05 -3.83 0.00 -0.63 -5.02 107.32 96.81 3cff s GLY 17 Ca -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.59 3cff s GLY 17 CO 0.00 0.61 -0.04 -1.59 0.00 0.00 0.00 173.10 172.08 3cff s THR 18 N -2.93 0.52 -0.13 0.90 2.01 -1.26 -1.06 115.64 113.70 3cff s THR 18 Ca 0.15 -0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 3cff s THR 18 Cb -0.02 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 71.95 3cff s THR 18 CO 0.04 0.23 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.42 3cff s VAL 19 N 0.99 1.19 -1.56 3.82 1.01 -0.15 -4.80 120.40 120.91 3cff s VAL 19 Ca -0.10 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 3cff s VAL 19 Cb -0.14 -1.20 0.10 0.00 0.00 0.00 0.00 36.38 35.14 3cff s VAL 19 CO -0.00 0.37 0.94 0.59 0.00 0.00 0.00 175.10 177.00 3cff n ASN 20 N 4.89 -4.45 0.00 3.32 4.13 -1.26 -1.27 115.26 120.61 3cff n ASN 20 Ca -0.14 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.30 3cff n ASN 20 Cb 0.50 -3.68 0.00 0.00 -1.54 0.00 0.00 39.78 35.06 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 -1.64 2.21 3.60 7.41 0.00 -1.26 -5.02 105.19 110.50 3cff n GLY 21 Ca 0.04 0.00 -0.41 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 -2.37 3.23 0.19 1.61 5.04 -0.40 -5.05 115.29 117.54 3cff s HIS 22 Ca 0.00 0.62 -0.21 0.00 -1.54 0.00 0.00 55.06 53.93 3cff s HIS 22 Cb 0.00 -2.95 -0.08 0.00 0.04 0.00 0.00 32.58 29.59 3cff s HIS 22 CO 0.00 -0.44 0.72 -1.58 -2.34 0.00 0.00 174.74 171.10 3cff s HIS 23 N 2.57 3.74 0.16 3.88 2.46 -1.26 -0.98 115.29 125.86 3cff s HIS 23 Ca 0.25 1.45 -0.16 0.00 0.47 0.00 0.00 55.06 57.07 3cff s HIS 23 Cb -0.15 -2.65 0.03 0.00 -0.13 0.00 0.00 32.58 29.68 3cff s HIS 23 CO 0.11 0.42 0.44 -0.59 -2.47 0.00 0.00 174.74 172.64 3cff s PHE 24 N -1.37 -0.09 -0.01 3.88 -0.12 -0.22 -4.24 117.98 115.81 3cff s PHE 24 Ca 0.39 -0.24 -0.01 0.00 -0.05 0.00 0.00 56.93 57.03 3cff s PHE 24 Cb -0.19 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.48 3cff s PHE 24 CO 0.22 -0.79 0.02 0.15 -0.05 0.00 0.00 175.22 174.77 3cff s LYS 25 N -3.85 0.02 0.07 1.99 1.02 -0.17 -1.60 119.74 117.21 3cff s LYS 25 Ca 0.07 0.03 0.05 0.00 0.02 0.00 0.00 55.97 56.14 3cff s LYS 25 Cb 0.01 0.00 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 3cff s LYS 25 CO -0.07 -0.01 -0.14 0.00 -0.92 0.00 0.00 175.35 174.22 3cff s THR 27 N -1.27 2.45 -0.03 0.00 -4.23 -0.23 -0.70 115.64 111.63 3cff s THR 27 Ca -0.03 -2.39 -0.16 0.00 -1.18 0.00 0.00 61.69 57.93 3cff s THR 27 Cb -0.10 -2.29 0.03 0.00 1.34 0.00 0.00 72.50 71.48 3cff s THR 27 CO 0.02 -0.40 0.34 -0.83 -0.54 0.00 0.00 174.62 173.21 3cff s GLY 28 N -3.48 -0.19 -0.04 3.99 0.00 -0.30 -0.95 107.32 106.34 3cff s GLY 28 Ca 0.30 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 3cff s GLY 28 CO 0.15 0.25 0.09 0.54 0.00 0.00 0.00 173.10 174.13 3cff s LYS 29 N -1.16 0.04 0.30 2.90 1.02 -0.51 -0.78 119.74 121.56 3cff s LYS 29 Ca -0.12 0.27 -0.11 0.00 0.02 0.00 0.00 55.97 56.03 3cff s LYS 29 Cb -0.05 -0.17 0.04 0.00 -0.52 0.00 0.00 37.83 37.14 3cff s LYS 29 CO 0.04 -0.14 0.60 0.41 -0.92 0.00 0.00 175.35 175.34 3cff n GLY 30 N 4.02 1.27 3.28 -3.33 0.00 -0.43 -0.21 105.19 109.79 3cff n GLY 30 Ca -0.25 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.10 0.95 0.36 1.61 -1.05 -0.52 -0.59 118.70 117.36 3cff s GLU 31 Ca 0.13 -0.70 -0.17 0.00 -0.15 0.00 0.00 54.97 54.08 3cff s GLU 31 Cb -0.04 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 3cff s GLU 31 CO 0.10 -0.34 0.77 0.20 0.95 0.00 0.00 175.26 176.93 3cff s GLY 32 N -2.61 0.27 -0.50 -3.83 0.00 -0.42 -1.36 107.32 98.86 3cff s GLY 32 Ca 0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.92 3cff s GLY 32 CO -0.09 -0.27 0.46 0.21 0.00 0.00 0.00 173.10 173.41 3cff s ASN 33 N -3.04 6.17 0.31 1.64 3.84 0.40 -0.87 114.94 123.40 3cff s ASN 33 Ca 0.15 -1.46 0.00 0.00 0.21 0.00 0.00 52.86 51.76 3cff s ASN 33 Cb -0.05 -2.21 0.51 0.00 -0.55 0.00 0.00 41.25 38.95 3cff s ASN 33 CO 0.10 -0.76 1.93 -0.65 -2.79 0.00 0.00 177.10 174.93 3cff h PRO 34 N 8.84 0.86 0.00 0.43 0.11 -1.79 0.41 132.00 140.87 3cff h PRO 34 Ca -0.29 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3cff h PRO 34 Cb 1.10 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3cff h PRO 34 CO 0.95 0.65 -0.76 0.74 -0.21 0.00 0.00 178.00 179.37 3cff h PHE 35 N 0.87 0.00 -0.01 0.65 -1.00 -1.88 -3.23 116.94 112.34 3cff h PHE 35 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3cff h PHE 35 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3cff h PHE 35 CO 0.01 0.27 -0.45 0.39 -1.61 0.00 0.00 178.31 176.92 3cff n GLU 36 N -2.96 0.71 -2.78 1.51 -0.58 -1.07 -4.99 120.64 110.48 3cff n GLU 36 Ca -0.01 -0.50 -0.14 0.00 -0.42 0.00 0.00 57.16 56.09 3cff n GLU 36 Cb 0.66 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.08 3.29 0.62 0.00 0.11 -5.03 105.19 105.51 3cff n GLY 37 Ca 0.09 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.97 1.76 0.01 2.61 -4.23 -1.06 -5.01 115.64 106.76 3cff s THR 38 Ca 0.21 -1.49 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 3cff s THR 38 Cb -0.09 -1.58 0.06 0.00 1.34 0.00 0.00 72.50 72.23 3cff s THR 38 CO 0.26 0.02 0.60 0.00 -0.54 0.00 0.00 174.62 174.95 3cff s GLN 39 N -1.75 1.06 0.01 3.99 -2.07 -1.26 -0.45 119.66 119.18 3cff s GLN 39 Ca 0.07 -0.01 0.02 0.00 -1.82 0.00 0.00 55.36 53.62 3cff s GLN 39 Cb -0.10 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 3cff s GLN 39 CO 0.04 -0.36 -0.06 -0.51 -1.32 0.00 0.00 175.29 173.08 3cff s ASP 40 N -1.63 0.66 0.09 12.60 1.11 -0.47 -4.99 116.67 124.04 3cff s ASP 40 Ca -0.08 -0.23 -0.11 0.00 0.18 0.00 0.00 52.55 52.31 3cff s ASP 40 Cb -0.01 -0.03 0.01 0.00 1.07 0.00 0.00 42.92 43.96 3cff s ASP 40 CO 0.03 -0.02 0.25 0.00 1.18 0.00 0.00 175.17 176.61 3cff s MET 41 N -0.55 0.87 -0.08 8.23 0.23 -1.26 -1.43 119.30 125.30 3cff s MET 41 Ca -0.02 -0.82 -0.01 0.00 -1.03 0.00 0.00 55.69 53.81 3cff s MET 41 Cb -0.04 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.59 3cff s MET 41 CO -0.00 -0.29 -0.01 0.15 -2.03 0.00 0.00 175.02 172.84 3cff s LYS 42 N -3.58 2.95 -0.07 3.16 1.02 0.71 -4.97 119.74 118.96 3cff s LYS 42 Ca 0.02 -0.43 0.04 0.00 0.02 0.00 0.00 55.97 55.62 3cff s LYS 42 Cb 0.03 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3cff s LYS 42 CO -0.10 0.69 -0.18 0.42 -0.92 0.00 0.00 175.35 175.27 3cff s ILE 43 N -0.86 1.56 -0.08 2.17 1.09 -1.26 -1.43 121.20 122.39 3cff s ILE 43 Ca 0.13 -0.75 0.04 0.00 -1.10 0.00 0.00 60.65 58.97 3cff s ILE 43 Cb -0.11 -1.37 -0.00 0.00 -1.06 0.00 0.00 42.46 39.92 3cff s ILE 43 CO 0.02 0.45 -0.21 -0.70 -0.10 0.00 0.00 174.94 174.40 3cff s GLU 44 N 0.36 2.55 -0.46 2.79 2.12 -0.13 -5.00 118.70 120.94 3cff s GLU 44 Ca -0.13 -0.77 -0.28 0.00 0.36 0.00 0.00 54.97 54.15 3cff s GLU 44 Cb -0.15 -2.02 0.03 0.00 0.26 0.00 0.00 34.13 32.25 3cff s GLU 44 CO 0.05 0.20 1.09 0.08 -0.54 0.00 0.00 175.26 176.14 3cff s VAL 45 N 0.26 4.28 -0.45 3.70 1.01 -1.26 -1.07 120.40 126.87 3cff s VAL 45 Ca -0.13 1.16 0.22 0.00 0.00 0.00 0.00 61.98 63.22 3cff s VAL 45 Cb -0.16 -4.56 -0.24 0.00 0.00 0.00 0.00 36.38 31.42 3cff s VAL 45 CO 0.06 -0.94 0.74 2.30 0.00 0.00 0.00 175.10 177.26 3cff n ILE 46 N 6.70 0.06 -3.78 2.22 -5.35 0.13 -4.74 119.36 114.59 3cff n ILE 46 Ca 0.11 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 3cff n ILE 46 Cb 0.49 0.32 -0.12 0.00 -1.74 0.00 0.00 39.64 38.59 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 -3.29 0.27 0.00 6.28 2.02 -1.05 -4.89 118.70 118.03 3cff s GLU 47 Ca -0.01 0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.34 3cff s GLU 47 Cb 0.14 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.47 3cff s GLU 47 CO 0.87 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.51 3cff n GLY 48 N 3.14 0.51 3.93 -1.39 0.00 -1.26 -1.00 105.19 109.12 3cff n GLY 48 Ca -0.15 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.42 1.41 0.33 -0.02 0.00 -1.26 -3.99 107.32 101.36 3cff s GLY 49 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 3cff s GLY 49 CO 0.00 -0.62 1.26 2.56 0.00 0.00 0.00 173.10 176.30 3cff s PRO 50 N -4.51 4.35 0.12 2.90 0.04 -1.26 -5.06 135.00 131.58 3cff s PRO 50 Ca 0.43 2.12 -0.33 0.00 0.04 0.00 0.00 61.00 63.26 3cff s PRO 50 Cb -0.10 -3.04 -0.13 0.00 0.04 0.00 0.00 34.50 31.28 3cff s PRO 50 CO 0.40 -0.15 1.71 1.28 0.04 0.00 0.00 177.00 180.27 3cff n LEU 51 N 0.76 3.48 -1.26 -3.56 4.77 -1.26 -4.87 117.00 115.07 3cff n LEU 51 Ca 0.00 1.04 -0.00 0.00 -0.03 0.00 0.00 56.01 57.02 3cff n LEU 51 Cb 0.43 -1.46 0.16 0.00 -2.33 0.00 0.00 43.42 40.22 3cff n LEU 51 CO 0.57 -0.08 0.62 -0.81 -1.33 0.00 0.00 177.39 176.36 3cff n PRO 52 N 4.51 2.51 -3.83 3.23 -0.04 -1.26 -4.85 135.00 135.27 3cff n PRO 52 Ca 0.18 -1.45 -0.10 0.00 -0.04 0.00 0.00 63.50 62.09 3cff n PRO 52 Cb 0.32 -1.78 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.75 0.12 0.11 0.54 -0.12 -1.26 -5.13 117.98 110.50 3cff s PHE 53 Ca 0.26 -0.49 -0.31 0.00 -0.05 0.00 0.00 56.93 56.34 3cff s PHE 53 Cb 0.20 0.10 -0.10 0.00 -0.63 0.00 0.00 43.02 42.59 3cff s PHE 53 CO 0.07 -0.72 1.80 0.00 -0.05 0.00 0.00 175.22 176.31 3cff s ALA 54 N -3.90 3.74 0.53 1.99 0.00 -1.26 -4.87 121.76 117.99 3cff s ALA 54 Ca 0.10 1.40 0.27 0.00 0.00 0.00 0.00 51.96 53.73 3cff s ALA 54 Cb 0.02 -3.75 1.63 0.00 0.00 0.00 0.00 23.12 21.02 3cff s ALA 54 CO -0.05 -1.21 2.18 0.35 0.00 0.00 0.00 175.76 177.03 3cff h PHE 55 N 8.60 0.00 -1.10 0.00 3.57 -2.00 -2.89 116.94 123.12 3cff h PHE 55 Ca -0.45 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.35 3cff h PHE 55 Cb 1.21 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 3cff h PHE 55 CO 0.79 0.05 0.73 -0.44 -2.23 0.00 0.00 178.31 177.22 3cff h ASP 56 N 0.00 0.29 0.47 0.41 3.32 -2.02 0.26 116.42 119.16 3cff h ASP 56 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cff h ASP 56 Cb 0.12 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3cff h ASP 56 CO 0.01 0.04 0.00 2.30 -1.72 0.00 0.00 179.24 179.87 3cff n ILE 57 N -4.49 1.02 0.56 0.35 -5.35 -1.09 -2.47 119.36 107.89 3cff n ILE 57 Ca 0.26 0.35 0.10 0.00 -0.27 0.00 0.00 62.75 63.19 3cff n ILE 57 Cb 1.03 -1.26 -0.13 0.00 -1.74 0.00 0.00 39.64 37.53 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 -1.99 0.56 -0.29 7.28 4.77 0.92 -4.64 117.00 123.62 3cff n LEU 58 Ca 0.02 -0.30 0.08 0.00 -0.03 0.00 0.00 56.01 55.78 3cff n LEU 58 Cb 0.16 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.48 3cff n LEU 58 CO 0.14 0.14 1.06 0.28 -1.33 0.00 0.00 177.39 177.69 3cff h SER 59 N 0.00 0.40 0.00 -1.43 0.02 -1.44 0.05 113.55 111.15 3cff h SER 59 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3cff h SER 59 Cb 0.67 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3cff h SER 59 CO 0.00 0.13 0.00 0.35 -1.14 0.00 0.00 176.83 176.17 3cff n THR 60 N -4.95 0.00 0.52 -2.27 -2.24 -1.26 -2.61 114.28 101.46 3cff n THR 60 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 3cff n THR 60 Cb 0.48 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.95 0.91 -0.26 3.42 7.64 -0.00 -5.25 113.62 119.13 3cff n SER 61 Ca 0.18 -0.96 0.15 0.00 1.01 0.00 0.00 58.87 59.25 3cff n SER 61 Cb 0.08 0.74 0.72 0.00 -1.01 0.00 0.00 64.21 64.74 3cff n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03