#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfa s THR 6 N 0.00 3.29 -2.00 -5.08 -4.23 -1.26 -5.03 115.64 101.34 3cfa s THR 6 Ca 0.00 -1.84 0.17 0.00 -1.18 0.00 0.00 61.69 58.85 3cfa s THR 6 Cb 0.00 -2.90 0.49 0.00 1.34 0.00 0.00 72.50 71.43 3cfa s THR 6 CO 0.00 -0.30 1.46 -1.84 -0.54 0.00 0.00 174.62 173.40 3cfa n GLU 7 N -0.99 0.68 -3.41 3.99 0.28 -1.26 -3.94 120.64 115.98 3cfa n GLU 7 Ca -0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.75 3cfa n GLU 7 Cb 0.60 -1.40 -0.10 0.00 1.43 0.00 0.00 31.44 31.97 3cfa n GLU 7 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3cfa s THR 8 N -2.00 -0.27 -0.20 3.84 2.01 -1.26 -4.22 115.64 113.55 3cfa s THR 8 Ca 0.26 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3cfa s THR 8 Cb 0.12 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 3cfa s THR 8 CO 0.20 -0.61 0.13 -0.04 -0.69 0.00 0.00 174.62 173.61 3cfa s MET 9 N 1.85 4.17 0.50 4.92 -1.94 -0.03 -4.89 119.30 123.88 3cfa s MET 9 Ca 0.13 -0.23 -0.10 0.00 -1.71 0.00 0.00 55.69 53.78 3cfa s MET 9 Cb -0.16 -3.41 -0.05 0.00 2.01 0.00 0.00 34.83 33.22 3cfa s MET 9 CO -0.19 0.30 0.88 -1.25 -0.01 0.00 0.00 175.02 174.75 3cfa s PRO 10 N 0.34 3.69 0.03 2.03 0.04 -1.26 -1.28 135.00 138.59 3cfa s PRO 10 Ca 0.08 0.55 -0.07 0.00 0.04 0.00 0.00 61.00 61.59 3cfa s PRO 10 Cb -0.11 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 3cfa s PRO 10 CO -0.02 -0.27 0.14 -0.59 0.04 0.00 0.00 177.00 176.30 3cfa s PHE 11 N -2.74 0.13 0.05 0.56 -0.12 0.28 -4.94 117.98 111.20 3cfa s PHE 11 Ca 0.52 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 57.09 3cfa s PHE 11 Cb -0.10 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.17 3cfa s PHE 11 CO 0.41 -0.38 -0.16 -0.98 -0.05 0.00 0.00 175.22 174.06 3cfa s ARG 12 N -2.45 1.01 0.01 1.99 1.70 -1.26 -1.66 118.95 118.28 3cfa s ARG 12 Ca -0.06 -0.84 0.02 0.00 -0.47 0.00 0.00 55.73 54.38 3cfa s ARG 12 Cb -0.02 -1.06 -0.01 0.00 -0.57 0.00 0.00 34.95 33.30 3cfa s ARG 12 CO -0.04 0.26 -0.07 1.41 -1.08 0.00 0.00 175.30 175.78 3cfa s MET 13 N -1.27 0.54 -0.04 3.89 1.75 -0.20 -4.97 119.30 119.01 3cfa s MET 13 Ca 0.02 -0.35 0.05 0.00 -1.25 0.00 0.00 55.69 54.16 3cfa s MET 13 Cb -0.08 -0.49 -0.01 0.00 2.84 0.00 0.00 34.83 37.09 3cfa s MET 13 CO 0.02 0.13 -0.20 0.95 -0.65 0.00 0.00 175.02 175.26 3cfa s THR 14 N -0.41 1.65 -0.01 10.11 -4.23 -1.26 -0.83 115.64 120.66 3cfa s THR 14 Ca 0.00 -0.85 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3cfa s THR 14 Cb -0.04 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.39 3cfa s THR 14 CO -0.00 0.47 -0.07 -0.32 -0.54 0.00 0.00 174.62 174.16 3cfa s MET 15 N -0.14 0.67 -0.16 3.99 1.75 0.21 -5.00 119.30 120.62 3cfa s MET 15 Ca -0.01 -0.25 -0.08 0.00 -1.25 0.00 0.00 55.69 54.10 3cfa s MET 15 Cb -0.11 -0.65 0.07 0.00 2.84 0.00 0.00 34.83 36.97 3cfa s MET 15 CO 0.02 0.13 0.37 -1.83 -0.65 0.00 0.00 175.02 173.06 3cfa s GLU 16 N -0.01 0.32 0.27 4.11 -1.05 -1.26 -0.47 118.70 120.61 3cfa s GLU 16 Ca 0.01 0.81 -0.20 0.00 -0.15 0.00 0.00 54.97 55.43 3cfa s GLU 16 Cb -0.05 0.05 0.05 0.00 -0.44 0.00 0.00 34.13 33.74 3cfa s GLU 16 CO -0.00 -0.19 0.87 0.20 0.95 0.00 0.00 175.26 177.09 3cfa s GLY 17 N 1.78 0.08 -0.04 -3.83 0.00 -0.77 -5.03 107.32 99.51 3cfa s GLY 17 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3cfa s GLY 17 CO -0.12 0.45 -0.01 -1.59 0.00 0.00 0.00 173.10 171.84 3cfa s THR 18 N -2.82 0.28 -0.12 0.90 2.01 -1.26 -1.33 115.64 113.29 3cfa s THR 18 Ca 0.15 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3cfa s THR 18 Cb -0.04 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3cfa s THR 18 CO 0.07 0.19 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.39 3cfa s VAL 19 N 1.25 1.28 -1.54 3.82 1.01 -0.29 -4.79 120.40 121.14 3cfa s VAL 19 Ca -0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 3cfa s VAL 19 Cb -0.13 -1.23 0.11 0.00 0.00 0.00 0.00 36.38 35.12 3cfa s VAL 19 CO -0.02 0.41 0.81 0.59 0.00 0.00 0.00 175.10 176.88 3cfa n ASN 20 N 4.78 -4.12 0.00 3.32 4.13 -1.26 -1.03 115.26 121.08 3cfa n ASN 20 Ca -0.15 -0.76 0.00 0.00 1.68 0.00 0.00 54.58 55.35 3cfa n ASN 20 Cb 0.50 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.40 3cfa n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cfa n GLY 21 N -1.47 1.77 3.60 7.41 0.00 -1.26 -5.02 105.19 110.22 3cfa n GLY 21 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3cfa n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cfa s HIS 22 N -2.64 3.21 0.15 1.61 3.76 -0.20 -5.05 115.29 116.12 3cfa s HIS 22 Ca 0.00 0.66 -0.17 0.00 -0.15 0.00 0.00 55.06 55.40 3cfa s HIS 22 Cb 0.00 -3.09 -0.07 0.00 1.11 0.00 0.00 32.58 30.53 3cfa s HIS 22 CO 0.00 -0.52 0.60 -1.58 -0.85 0.00 0.00 174.74 172.40 3cfa s HIS 23 N 2.75 3.68 0.13 1.40 2.46 -1.26 -1.14 115.29 123.31 3cfa s HIS 23 Ca 0.28 1.21 -0.13 0.00 0.47 0.00 0.00 55.06 56.89 3cfa s HIS 23 Cb -0.15 -2.48 0.02 0.00 -0.13 0.00 0.00 32.58 29.85 3cfa s HIS 23 CO 0.12 0.45 0.35 -0.59 -2.47 0.00 0.00 174.74 172.60 3cfa s PHE 24 N -1.38 0.00 -0.00 3.88 -0.12 -0.44 -4.20 117.98 115.72 3cfa s PHE 24 Ca 0.37 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 3cfa s PHE 24 Cb -0.17 0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.36 3cfa s PHE 24 CO 0.20 -0.70 -0.04 0.15 -0.05 0.00 0.00 175.22 174.78 3cfa s LYS 25 N -3.86 0.28 0.09 1.99 1.02 -0.52 -1.84 119.74 116.91 3cfa s LYS 25 Ca 0.07 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 55.97 3cfa s LYS 25 Cb 0.02 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.04 3cfa s LYS 25 CO -0.08 0.07 -0.15 0.00 -0.92 0.00 0.00 175.35 174.27 3cfa s THR 27 N -1.63 2.22 0.02 0.00 -4.23 -0.14 -0.62 115.64 111.27 3cfa s THR 27 Ca 0.03 -2.13 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3cfa s THR 27 Cb -0.08 -2.10 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 3cfa s THR 27 CO 0.03 -0.28 0.12 -0.83 -0.54 0.00 0.00 174.62 173.12 3cfa s GLY 28 N -2.96 0.11 -0.15 3.99 0.00 -0.01 -0.64 107.32 107.66 3cfa s GLY 28 Ca 0.22 -0.36 -0.10 0.00 0.00 0.00 0.00 44.72 44.48 3cfa s GLY 28 CO 0.10 -0.51 0.37 1.25 0.00 0.00 0.00 173.10 174.32 3cfa s LYS 29 N -2.12 0.39 0.05 2.90 2.20 -0.47 -1.03 119.74 121.65 3cfa s LYS 29 Ca -0.09 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.13 3cfa s LYS 29 Cb -0.04 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 3cfa s LYS 29 CO -0.02 -0.11 0.16 0.41 -0.36 0.00 0.00 175.35 175.43 3cfa n GLY 30 N 3.65 1.44 3.28 5.54 0.00 -0.67 -0.76 105.19 117.68 3cfa n GLY 30 Ca -0.19 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3cfa n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cfa s GLU 31 N -2.01 0.99 0.35 1.61 -1.05 -0.71 -0.56 118.70 117.32 3cfa s GLU 31 Ca 0.03 -0.76 -0.15 0.00 -0.15 0.00 0.00 54.97 53.94 3cfa s GLU 31 Cb -0.01 0.43 0.04 0.00 -0.44 0.00 0.00 34.13 34.15 3cfa s GLU 31 CO 0.01 -0.37 0.72 0.20 0.95 0.00 0.00 175.26 176.77 3cfa s GLY 32 N -2.76 0.40 -0.52 -3.83 0.00 -0.41 -1.53 107.32 98.67 3cfa s GLY 32 Ca 0.03 -0.74 -0.16 0.00 0.00 0.00 0.00 44.72 43.85 3cfa s GLY 32 CO -0.11 -0.36 0.47 -1.31 0.00 0.00 0.00 173.10 171.79 3cfa s ASN 33 N -3.05 6.18 0.25 1.64 -0.87 0.83 -0.86 114.94 119.06 3cfa s ASN 33 Ca 0.17 -1.66 -0.05 0.00 -1.57 0.00 0.00 52.86 49.75 3cfa s ASN 33 Cb -0.04 -2.20 0.34 0.00 -0.02 0.00 0.00 41.25 39.32 3cfa s ASN 33 CO 0.11 -0.80 1.88 -0.65 -2.57 0.00 0.00 177.10 175.07 3cfa h PRO 34 N 8.85 1.07 0.00 -0.60 0.11 -1.78 0.17 132.00 139.82 3cfa h PRO 34 Ca -0.30 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3cfa h PRO 34 Cb 1.10 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3cfa h PRO 34 CO 0.99 0.71 -0.64 0.74 -0.21 0.00 0.00 178.00 179.59 3cfa h PHE 35 N 1.10 0.00 0.00 0.65 -1.00 -1.89 -3.27 116.94 112.53 3cfa h PHE 35 Ca 0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.17 3cfa h PHE 35 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 3cfa h PHE 35 CO -0.02 0.13 -0.87 0.39 -1.61 0.00 0.00 178.31 176.34 3cfa n GLU 36 N -2.92 0.33 -1.96 1.51 -0.58 -0.94 -5.00 120.64 111.08 3cfa n GLU 36 Ca 0.00 0.04 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 3cfa n GLU 36 Cb 0.60 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 3cfa n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cfa n GLY 37 N 1.34 0.24 3.40 0.62 0.00 0.56 -5.03 105.19 106.31 3cfa n GLY 37 Ca 0.02 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3cfa n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfa s THR 38 N -2.28 2.38 0.04 2.61 -4.23 -1.15 -4.99 115.64 108.02 3cfa s THR 38 Ca 0.00 -1.55 -0.27 0.00 -1.18 0.00 0.00 61.69 58.69 3cfa s THR 38 Cb 0.00 -2.02 0.07 0.00 1.34 0.00 0.00 72.50 71.89 3cfa s THR 38 CO 0.00 0.20 0.65 0.00 -0.54 0.00 0.00 174.62 174.92 3cfa s GLN 39 N -1.77 1.16 0.02 3.99 -2.07 -1.26 -0.12 119.66 119.60 3cfa s GLN 39 Ca 0.14 -0.07 0.02 0.00 -1.82 0.00 0.00 55.36 53.63 3cfa s GLN 39 Cb -0.10 0.54 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 3cfa s GLN 39 CO 0.05 -0.43 -0.07 -0.51 -1.32 0.00 0.00 175.29 173.01 3cfa s ASP 40 N -1.90 0.75 0.03 12.60 1.11 -0.58 -4.99 116.67 123.69 3cfa s ASP 40 Ca -0.06 -0.29 -0.10 0.00 0.18 0.00 0.00 52.55 52.29 3cfa s ASP 40 Cb -0.00 -0.03 0.00 0.00 1.07 0.00 0.00 42.92 43.96 3cfa s ASP 40 CO -0.00 -0.04 0.20 -0.32 1.18 0.00 0.00 175.17 176.18 3cfa s MET 41 N -0.73 0.66 -0.10 8.23 1.75 -1.26 -1.73 119.30 126.12 3cfa s MET 41 Ca -0.03 -0.57 -0.00 0.00 -1.25 0.00 0.00 55.69 53.84 3cfa s MET 41 Cb -0.05 0.28 -0.02 0.00 2.84 0.00 0.00 34.83 37.87 3cfa s MET 41 CO 0.00 -0.19 -0.09 0.15 -0.65 0.00 0.00 175.02 174.24 3cfa s LYS 42 N -2.33 3.08 -0.08 4.11 1.02 0.06 -4.96 119.74 120.64 3cfa s LYS 42 Ca -0.07 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 55.37 3cfa s LYS 42 Cb -0.02 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3cfa s LYS 42 CO -0.03 0.45 -0.24 0.42 -0.92 0.00 0.00 175.35 175.04 3cfa s ILE 43 N -0.24 1.98 -0.09 2.17 1.09 -1.26 -1.37 121.20 123.49 3cfa s ILE 43 Ca 0.02 -1.00 0.04 0.00 -1.10 0.00 0.00 60.65 58.62 3cfa s ILE 43 Cb -0.13 -1.70 -0.01 0.00 -1.06 0.00 0.00 42.46 39.57 3cfa s ILE 43 CO 0.03 0.55 -0.22 -0.70 -0.10 0.00 0.00 174.94 174.49 3cfa s GLU 44 N 0.13 2.88 -0.44 2.79 2.12 0.19 -4.98 118.70 121.39 3cfa s GLU 44 Ca -0.12 -0.85 -0.27 0.00 0.36 0.00 0.00 54.97 54.10 3cfa s GLU 44 Cb -0.16 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 31.95 3cfa s GLU 44 CO 0.06 0.29 1.00 0.08 -0.54 0.00 0.00 175.26 176.15 3cfa s VAL 45 N 0.09 4.42 -0.24 3.70 1.01 -1.26 -0.97 120.40 127.15 3cfa s VAL 45 Ca -0.10 1.05 0.22 0.00 0.00 0.00 0.00 61.98 63.15 3cfa s VAL 45 Cb -0.16 -4.46 -0.29 0.00 0.00 0.00 0.00 36.38 31.47 3cfa s VAL 45 CO 0.06 -0.80 0.62 2.30 0.00 0.00 0.00 175.10 177.28 3cfa n ILE 46 N 6.41 0.05 -3.85 2.22 -5.35 0.08 -4.76 119.36 114.16 3cfa n ILE 46 Ca 0.08 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 3cfa n ILE 46 Cb 0.48 0.16 -0.12 0.00 -1.74 0.00 0.00 39.64 38.42 3cfa n ILE 46 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3cfa s GLU 47 N -3.40 0.20 -0.06 6.28 2.02 -1.07 -4.89 118.70 117.78 3cfa s GLU 47 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.97 3cfa s GLU 47 Cb 0.14 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.46 3cfa s GLU 47 CO 0.89 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 176.55 3cfa n GLY 48 N 2.67 0.46 3.95 -1.39 0.00 -1.26 -1.44 105.19 108.18 3cfa n GLY 48 Ca -0.15 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 3cfa n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfa s GLY 49 N -2.65 1.46 0.35 -0.02 0.00 -1.26 -4.06 107.32 101.14 3cfa s GLY 49 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 44.72 43.41 3cfa s GLY 49 CO 0.00 -0.91 1.38 2.56 0.00 0.00 0.00 173.10 176.13 3cfa s PRO 50 N -4.40 4.23 0.03 2.90 0.04 -1.26 -5.05 135.00 131.49 3cfa s PRO 50 Ca 0.44 2.36 -0.34 0.00 0.04 0.00 0.00 61.00 63.50 3cfa s PRO 50 Cb -0.10 -3.01 -0.13 0.00 0.04 0.00 0.00 34.50 31.30 3cfa s PRO 50 CO 0.36 -0.35 1.71 1.28 0.04 0.00 0.00 177.00 180.04 3cfa n LEU 51 N 0.62 3.17 -0.99 -3.56 4.77 -1.26 -4.86 117.00 114.90 3cfa n LEU 51 Ca 0.01 1.03 0.02 0.00 -0.03 0.00 0.00 56.01 57.04 3cfa n LEU 51 Cb 0.41 -1.38 0.14 0.00 -2.33 0.00 0.00 43.42 40.25 3cfa n LEU 51 CO 0.61 -0.22 0.47 -0.81 -1.33 0.00 0.00 177.39 176.11 3cfa n PRO 52 N 4.90 2.31 -3.86 3.23 -0.04 -1.26 -4.85 135.00 135.43 3cfa n PRO 52 Ca 0.20 -1.08 -0.10 0.00 -0.04 0.00 0.00 63.50 62.49 3cfa n PRO 52 Cb 0.28 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3cfa n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cfa s PHE 53 N -1.59 0.17 0.10 0.54 -0.12 -1.26 -5.13 117.98 110.69 3cfa s PHE 53 Ca 0.19 -0.52 -0.31 0.00 -0.05 0.00 0.00 56.93 56.24 3cfa s PHE 53 Cb 0.14 0.14 -0.10 0.00 -0.63 0.00 0.00 43.02 42.58 3cfa s PHE 53 CO 0.05 -0.80 1.84 0.00 -0.05 0.00 0.00 175.22 176.26 3cfa s ALA 54 N -3.92 3.72 0.56 1.99 0.00 -1.26 -4.86 121.76 117.97 3cfa s ALA 54 Ca 0.13 1.39 0.26 0.00 0.00 0.00 0.00 51.96 53.74 3cfa s ALA 54 Cb 0.01 -3.77 1.64 0.00 0.00 0.00 0.00 23.12 21.00 3cfa s ALA 54 CO -0.01 -1.29 2.21 0.35 0.00 0.00 0.00 175.76 177.02 3cfa h PHE 55 N 9.00 0.00 -1.20 0.00 3.57 -2.00 -2.95 116.94 123.36 3cfa h PHE 55 Ca -0.46 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.38 3cfa h PHE 55 Cb 1.22 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.87 3cfa h PHE 55 CO 0.83 0.02 0.81 -0.44 -2.23 0.00 0.00 178.31 177.29 3cfa h ASP 56 N 0.00 0.23 0.63 0.41 3.32 -2.02 0.22 116.42 119.22 3cfa h ASP 56 Ca -0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3cfa h ASP 56 Cb 0.04 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3cfa h ASP 56 CO 0.00 -0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3cfa n ILE 57 N -4.45 0.90 0.67 0.35 -5.35 -1.11 -2.43 119.36 107.94 3cfa n ILE 57 Ca 0.29 0.25 0.11 0.00 -0.27 0.00 0.00 62.75 63.12 3cfa n ILE 57 Cb 1.18 -1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 37.89 3cfa n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3cfa n LEU 58 N -1.98 0.65 -0.19 7.28 4.77 0.79 -4.64 117.00 123.69 3cfa n LEU 58 Ca 0.02 -0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3cfa n LEU 58 Cb 0.20 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.34 3cfa n LEU 58 CO 0.17 0.13 0.88 0.28 -1.33 0.00 0.00 177.39 177.53 3cfa h SER 59 N 0.00 -0.11 0.26 -1.43 0.02 -1.47 -0.64 113.55 110.17 3cfa h SER 59 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3cfa h SER 59 Cb 0.67 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3cfa h SER 59 CO 0.00 -0.04 0.00 0.35 -1.14 0.00 0.00 176.83 176.00 3cfa n THR 60 N -5.19 0.23 0.84 -2.27 -2.24 -1.26 -2.70 114.28 101.69 3cfa n THR 60 Ca 0.08 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 62.01 3cfa n THR 60 Cb 0.31 -0.71 -0.11 0.00 -2.10 0.00 0.00 70.33 67.72 3cfa n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cfa n SER 61 N -1.19 0.87 0.00 3.42 7.64 -0.26 -5.25 113.62 118.86 3cfa n SER 61 Ca 0.12 -0.89 0.12 0.00 1.01 0.00 0.00 58.87 59.23 3cfa n SER 61 Cb 0.13 1.05 0.72 0.00 -1.01 0.00 0.00 64.21 65.11 3cfa n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03