#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fap s VAL 2 N 0.00 1.93 -0.19 1.61 0.11 -1.26 -1.54 120.40 121.07 3fap s VAL 2 Ca 0.00 -0.96 -0.09 0.00 -2.93 0.00 0.00 61.98 58.00 3fap s VAL 2 Cb 0.00 -1.67 -0.05 0.00 -1.53 0.00 0.00 36.38 33.14 3fap s VAL 2 CO 0.00 0.53 0.10 -1.10 -3.33 0.00 0.00 175.10 171.30 3fap s GLN 3 N 0.26 4.08 -0.19 1.54 -1.52 -0.15 -4.91 119.66 118.77 3fap s GLN 3 Ca -0.15 -0.27 -0.01 0.00 -1.95 0.00 0.00 55.36 52.98 3fap s GLN 3 Cb -0.17 -3.32 0.01 0.00 -0.22 0.00 0.00 33.01 29.31 3fap s GLN 3 CO 0.07 0.30 -0.13 0.08 -0.25 0.00 0.00 175.29 175.36 3fap s VAL 4 N 0.33 2.69 -0.11 1.09 1.01 -1.26 -0.31 120.40 123.84 3fap s VAL 4 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3fap s VAL 4 Cb -0.12 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3fap s VAL 4 CO -0.01 0.49 -0.22 -1.61 0.00 0.00 0.00 175.10 173.75 3fap s GLU 5 N 1.30 2.86 0.15 2.72 2.02 -0.44 -4.96 118.70 122.35 3fap s GLU 5 Ca 0.04 -0.80 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 3fap s GLU 5 Cb -0.14 -2.24 -0.07 0.00 0.10 0.00 0.00 34.13 31.78 3fap s GLU 5 CO -0.07 0.07 1.14 0.99 0.02 0.00 0.00 175.26 177.41 3fap s THR 6 N 0.61 3.87 -0.26 3.63 2.01 -1.26 -0.29 115.64 123.94 3fap s THR 6 Ca -0.13 1.53 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 3fap s THR 6 Cb -0.17 -3.98 -0.15 0.00 0.01 0.00 0.00 72.50 68.21 3fap s THR 6 CO 0.03 0.23 -0.24 -0.38 -0.69 0.00 0.00 174.62 173.57 3fap n ILE 7 N 2.74 1.53 -3.73 1.82 5.41 0.13 -4.89 119.36 122.37 3fap n ILE 7 Ca 0.04 -0.45 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 3fap n ILE 7 Cb 0.46 -1.70 -0.15 0.00 -0.71 0.00 0.00 39.64 37.54 3fap n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3fap s SER 8 N -7.06 0.14 0.55 4.38 0.01 -0.90 -4.97 113.70 105.85 3fap s SER 8 Ca -0.36 0.25 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 3fap s SER 8 Cb 0.12 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 3fap s SER 8 CO 0.55 -0.17 1.18 -2.84 0.41 0.00 0.00 173.24 172.37 3fap s PRO 9 N 1.42 3.28 0.58 12.44 0.02 -1.26 -0.38 135.00 151.10 3fap s PRO 9 Ca -0.06 1.76 0.09 0.00 0.02 0.00 0.00 61.00 62.81 3fap s PRO 9 Cb -0.12 -2.07 0.09 0.00 0.02 0.00 0.00 34.50 32.42 3fap s PRO 9 CO -0.05 -0.94 0.76 0.41 -0.33 0.00 0.00 177.00 176.85 3fap n GLY 10 N 0.38 2.05 0.42 0.52 0.00 -1.26 -4.23 105.19 103.06 3fap n GLY 10 Ca 0.11 -2.24 0.24 0.00 0.00 0.00 0.00 46.02 44.13 3fap n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3fap h ASP 11 N 0.16 0.00 0.00 1.61 3.04 -1.69 -3.46 116.42 116.08 3fap h ASP 11 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 3fap h ASP 11 Cb 1.26 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3fap h ASP 11 CO 0.41 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.22 3fap n GLY 12 N -1.64 0.77 0.00 7.15 0.00 -1.26 -4.76 105.19 105.45 3fap n GLY 12 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3fap n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fap n ARG 13 N -2.18 0.62 -3.37 1.61 1.85 -1.26 -4.99 116.66 108.94 3fap n ARG 13 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 3fap n ARG 13 Cb 0.00 -0.05 -0.05 0.00 -1.05 0.00 0.00 32.46 31.30 3fap n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3fap s THR 14 N 0.00 5.04 0.19 8.89 2.01 -1.26 -5.05 115.64 125.47 3fap s THR 14 Ca 0.00 -1.69 0.06 0.00 0.31 0.00 0.00 61.69 60.36 3fap s THR 14 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 3fap s THR 14 CO 0.00 -0.87 0.17 -0.36 -0.69 0.00 0.00 174.62 172.87 3fap s PHE 15 N 1.36 3.16 0.28 4.92 0.40 -1.26 -1.20 117.98 125.63 3fap s PHE 15 Ca 0.06 -0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 3fap s PHE 15 Cb -0.27 -1.49 -0.13 0.00 0.51 0.00 0.00 43.02 41.65 3fap s PHE 15 CO 0.01 0.52 1.38 -2.30 0.70 0.00 0.00 175.22 175.52 3fap n PRO 16 N -0.64 2.11 -4.44 0.24 -0.02 -1.26 -5.01 135.00 125.98 3fap n PRO 16 Ca -0.08 0.75 -0.25 0.00 -2.02 0.00 0.00 63.50 61.89 3fap n PRO 16 Cb 0.56 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 3fap n PRO 16 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3fap s LYS 17 N -0.91 1.62 0.17 -0.52 3.01 -1.26 -5.02 119.74 116.83 3fap s LYS 17 Ca 0.63 -1.65 -0.32 0.00 -1.01 0.00 0.00 55.97 53.63 3fap s LYS 17 Cb -0.61 -1.82 -0.10 0.00 -1.01 0.00 0.00 37.83 34.29 3fap s LYS 17 CO 0.54 0.36 1.57 1.03 0.51 0.00 0.00 175.35 179.37 3fap s ARG 18 N -3.12 4.21 -0.55 1.68 1.81 -1.26 -0.56 118.95 121.16 3fap s ARG 18 Ca 0.26 2.37 0.00 0.00 -1.72 0.00 0.00 55.73 56.64 3fap s ARG 18 Cb -0.06 -3.15 0.00 0.00 -0.45 0.00 0.00 34.95 31.29 3fap s ARG 18 CO 0.13 -0.61 0.00 0.41 -0.68 0.00 0.00 175.30 174.55 3fap n GLY 19 N 3.73 0.69 3.91 -3.53 0.00 -1.26 -5.04 105.19 103.70 3fap n GLY 19 Ca 0.14 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 3fap n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fap s GLN 20 N -2.72 3.59 -0.15 1.61 -0.21 0.27 -5.06 119.66 116.99 3fap s GLN 20 Ca 0.00 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.33 3fap s GLN 20 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 3fap s GLN 20 CO 0.00 0.01 0.25 0.99 -2.12 0.00 0.00 175.29 174.42 3fap s THR 21 N -2.42 5.33 -0.00 -0.19 2.01 -0.11 -4.09 115.64 116.17 3fap s THR 21 Ca 0.45 0.46 -0.18 0.00 0.31 0.00 0.00 61.69 62.73 3fap s THR 21 Cb -0.10 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 3fap s THR 21 CO 0.37 0.45 0.51 0.00 -0.69 0.00 0.00 174.62 175.26 3fap s VAL 23 N -0.57 2.98 0.24 0.00 1.01 -0.91 -1.87 120.40 121.28 3fap s VAL 23 Ca 0.27 -1.17 0.04 0.00 0.00 0.00 0.00 61.98 61.12 3fap s VAL 23 Cb -0.18 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3fap s VAL 23 CO 0.15 0.05 0.01 0.68 0.00 0.00 0.00 175.10 175.99 3fap s VAL 24 N 1.30 1.05 -0.00 2.92 -7.23 0.09 -0.60 120.40 117.93 3fap s VAL 24 Ca -0.02 -2.03 0.07 0.00 -1.81 0.00 0.00 61.98 58.18 3fap s VAL 24 Cb -0.18 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 3fap s VAL 24 CO -0.03 -0.27 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.28 3fap s HIS 25 N -3.41 2.48 0.15 2.82 3.76 -0.34 -0.10 115.29 120.66 3fap s HIS 25 Ca 0.30 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 3fap s HIS 25 Cb 0.06 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.23 3fap s HIS 25 CO 0.10 0.12 0.22 1.52 -0.85 0.00 0.00 174.74 175.84 3fap s TYR 26 N -0.75 0.49 -0.05 1.40 1.13 -1.26 -0.54 117.35 117.77 3fap s TYR 26 Ca 0.12 -0.86 -0.01 0.00 -1.41 0.00 0.00 57.07 54.91 3fap s TYR 26 Cb -0.10 -0.16 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3fap s TYR 26 CO 0.01 -0.65 0.01 0.99 -2.51 0.00 0.00 175.55 173.40 3fap s THR 27 N -3.98 0.23 -0.12 -3.49 2.01 -0.59 -1.04 115.64 108.66 3fap s THR 27 Ca 0.18 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.31 3fap s THR 27 Cb 0.04 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 3fap s THR 27 CO -0.01 0.20 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.21 3fap s GLY 28 N 1.57 1.62 0.02 4.40 0.00 0.08 -0.93 107.32 114.08 3fap s GLY 28 Ca -0.02 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3fap s GLY 28 CO -0.03 -0.26 -0.09 1.06 0.00 0.00 0.00 173.10 173.78 3fap s MET 29 N 0.10 0.65 1.10 2.90 -1.94 -0.21 -0.55 119.30 121.35 3fap s MET 29 Ca -0.04 -0.55 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 3fap s MET 29 Cb -0.14 -0.58 0.25 0.00 2.01 0.00 0.00 34.83 36.37 3fap s MET 29 CO 0.04 0.14 1.19 -0.51 -0.01 0.00 0.00 175.02 175.87 3fap s LEU 30 N -0.87 1.50 0.50 -0.03 1.43 0.05 -0.71 118.68 120.54 3fap s LEU 30 Ca -0.01 0.52 0.20 0.00 -1.03 0.00 0.00 54.13 53.81 3fap s LEU 30 Cb -0.06 -2.40 1.25 0.00 0.03 0.00 0.00 46.19 45.01 3fap s LEU 30 CO 0.00 -3.53 2.01 -0.08 0.23 0.00 0.00 176.35 174.98 3fap h GLU 31 N -2.18 0.14 -0.01 1.70 4.81 -1.88 -0.90 114.58 116.25 3fap h GLU 31 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3fap h GLU 31 Cb 1.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3fap h GLU 31 CO 0.37 0.09 -0.11 -0.40 -0.73 0.00 0.00 179.01 178.23 3fap n ASP 32 N -4.43 1.33 0.00 1.04 5.75 -1.26 -4.91 116.55 114.06 3fap n ASP 32 Ca 0.08 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.61 3fap n ASP 32 Cb 0.46 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 3fap n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fap n GLY 33 N 1.25 0.49 3.65 6.12 0.00 -0.34 -5.04 105.19 111.30 3fap n GLY 33 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3fap n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fap s LYS 34 N -0.85 3.94 0.15 1.61 2.20 -1.25 -4.78 119.74 120.75 3fap s LYS 34 Ca 0.00 2.26 -0.30 0.00 -0.36 0.00 0.00 55.97 57.57 3fap s LYS 34 Cb 0.00 -4.13 -0.07 0.00 -1.51 0.00 0.00 37.83 32.12 3fap s LYS 34 CO 0.00 -1.16 1.07 0.21 -0.36 0.00 0.00 175.35 175.11 3fap s LYS 35 N 4.68 4.60 -0.05 4.03 2.20 -1.26 -0.77 119.74 133.17 3fap s LYS 35 Ca 0.84 1.65 0.11 0.00 -0.36 0.00 0.00 55.97 58.21 3fap s LYS 35 Cb -0.36 -3.31 -0.17 0.00 -1.51 0.00 0.00 37.83 32.48 3fap s LYS 35 CO 0.35 0.07 0.19 1.97 -0.36 0.00 0.00 175.35 177.58 3fap n PHE 36 N 2.66 0.00 -3.56 4.03 1.16 0.29 -4.96 117.46 117.08 3fap n PHE 36 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.46 3fap n PHE 36 Cb 0.47 -0.36 -0.06 0.00 -1.61 0.00 0.00 39.48 37.92 3fap n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3fap s ASP 37 N -3.69 -0.60 -0.21 5.98 2.15 -1.16 -5.01 116.67 114.12 3fap s ASP 37 Ca -0.05 0.78 -0.12 0.00 0.43 0.00 0.00 52.55 53.59 3fap s ASP 37 Cb 0.06 0.66 0.07 0.00 -0.30 0.00 0.00 42.92 43.41 3fap s ASP 37 CO 0.48 -0.47 0.52 -0.55 -0.17 0.00 0.00 175.17 174.98 3fap s SER 38 N -0.84 -0.68 0.40 -0.34 0.15 -1.26 -0.74 113.70 110.39 3fap s SER 38 Ca -0.07 1.13 0.11 0.00 0.70 0.00 0.00 55.95 57.83 3fap s SER 38 Cb -0.01 1.02 0.84 0.00 -1.71 0.00 0.00 66.02 66.15 3fap s SER 38 CO 0.06 -0.21 1.93 0.77 1.20 0.00 0.00 173.24 176.98 3fap h SER 39 N 6.98 0.13 0.61 5.45 4.64 -1.39 -2.92 113.55 127.05 3fap h SER 39 Ca -0.34 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 60.90 3fap h SER 39 Cb 1.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3fap h SER 39 CO 0.24 0.32 -0.24 0.03 -0.87 0.00 0.00 176.83 176.31 3fap h ARG 40 N 0.13 0.00 -0.16 4.77 3.08 -1.85 -2.44 114.38 117.92 3fap h ARG 40 Ca 0.03 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.12 3fap h ARG 40 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3fap h ARG 40 CO 0.03 0.24 0.20 -0.44 -1.07 0.00 0.00 179.97 178.93 3fap h ASP 41 N 0.00 0.00 0.15 7.04 3.32 -1.85 0.16 116.42 125.24 3fap h ASP 41 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fap h ASP 41 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3fap h ASP 41 CO 0.03 0.00 -0.62 0.54 -1.72 0.00 0.00 179.24 177.47 3fap n ARG 42 N -3.69 0.47 -4.14 3.56 1.74 -0.96 -4.96 116.66 108.69 3fap n ARG 42 Ca 0.01 -0.35 -0.32 0.00 -0.77 0.00 0.00 57.85 56.42 3fap n ARG 42 Cb 0.32 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 3fap n ARG 42 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3fap n ASN 43 N -0.96 -1.72 -3.58 0.55 4.05 0.54 -4.94 115.26 109.19 3fap n ASN 43 Ca 0.07 -1.04 -0.21 0.00 0.45 0.00 0.00 54.58 53.85 3fap n ASN 43 Cb 0.37 -2.73 -0.15 0.00 1.23 0.00 0.00 39.78 38.50 3fap n ASN 43 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3fap s LYS 44 N -6.84 0.09 0.73 1.20 2.20 -1.05 -5.06 119.74 111.01 3fap s LYS 44 Ca 0.39 0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 56.04 3fap s LYS 44 Cb -0.21 -1.19 0.04 0.00 -1.51 0.00 0.00 37.83 34.96 3fap s LYS 44 CO 0.92 -0.57 1.20 -2.14 -0.36 0.00 0.00 175.35 174.41 3fap s PRO 45 N 2.24 2.13 -0.14 4.03 0.02 -1.26 -4.73 135.00 137.29 3fap s PRO 45 Ca 0.04 1.75 -0.05 0.00 0.02 0.00 0.00 61.00 62.77 3fap s PRO 45 Cb -0.15 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3fap s PRO 45 CO -0.09 -1.84 0.03 0.12 -0.33 0.00 0.00 177.00 174.89 3fap s PHE 46 N -2.00 3.21 0.00 6.54 5.36 0.86 -4.91 117.98 127.05 3fap s PHE 46 Ca 0.74 0.09 0.07 0.00 -0.96 0.00 0.00 56.93 56.87 3fap s PHE 46 Cb -0.29 -1.94 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 3fap s PHE 46 CO 0.45 0.28 -0.22 0.15 -1.46 0.00 0.00 175.22 174.43 3fap s LYS 47 N -0.19 1.70 0.26 10.12 1.02 -1.26 -0.73 119.74 130.66 3fap s LYS 47 Ca 0.06 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 54.99 3fap s LYS 47 Cb -0.12 -1.70 0.03 0.00 -0.52 0.00 0.00 37.83 35.51 3fap s LYS 47 CO 0.02 0.46 0.75 -0.59 -0.92 0.00 0.00 175.35 175.07 3fap s PHE 48 N -0.60 -0.18 -0.10 3.18 -0.71 -0.78 -5.00 117.98 113.79 3fap s PHE 48 Ca 0.09 -0.27 0.01 0.00 -1.04 0.00 0.00 56.93 55.72 3fap s PHE 48 Cb -0.09 0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 42.41 3fap s PHE 48 CO -0.00 -1.19 -0.13 1.41 -1.34 0.00 0.00 175.22 173.97 3fap s MET 49 N -3.80 3.11 0.54 1.99 -2.45 -1.26 0.27 119.30 117.71 3fap s MET 49 Ca 0.11 -0.68 -0.13 0.00 -1.25 0.00 0.00 55.69 53.74 3fap s MET 49 Cb -0.05 -2.56 -0.06 0.00 1.25 0.00 0.00 34.83 33.40 3fap s MET 49 CO 0.06 0.35 0.97 -0.51 1.05 0.00 0.00 175.02 176.95 3fap s LEU 50 N -0.01 3.50 0.00 4.11 2.01 -1.26 -4.54 118.68 122.49 3fap s LEU 50 Ca -0.03 1.45 0.00 0.00 0.01 0.00 0.00 54.13 55.56 3fap s LEU 50 Cb -0.14 -4.42 0.00 0.00 0.01 0.00 0.00 46.19 41.63 3fap s LEU 50 CO 0.04 -0.68 0.00 0.61 1.01 0.00 0.00 176.35 177.33 3fap n GLY 51 N -2.02 0.66 0.12 -3.19 0.00 -1.26 -4.64 105.19 94.86 3fap n GLY 51 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3fap n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fap n LYS 52 N -2.00 2.76 -3.32 1.61 4.76 -1.26 -4.97 118.16 115.74 3fap n LYS 52 Ca 0.00 -1.75 -0.24 0.00 -2.87 0.00 0.00 58.31 53.45 3fap n LYS 52 Cb 0.00 -1.12 0.02 0.00 -1.84 0.00 0.00 35.03 32.08 3fap n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3fap n GLN 53 N -0.48 -4.29 0.10 1.97 3.00 -1.26 -4.85 117.38 111.57 3fap n GLN 53 Ca 0.04 0.65 -0.02 0.00 -0.01 0.00 0.00 57.00 57.66 3fap n GLN 53 Cb 0.34 -5.44 0.24 0.00 0.00 0.00 0.00 30.24 25.37 3fap n GLN 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3fap h GLU 54 N -1.30 0.21 -5.50 -1.09 5.08 -1.94 -3.46 114.58 106.59 3fap h GLU 54 Ca -0.49 -0.10 -0.51 0.00 -1.00 0.00 0.00 59.36 57.26 3fap h GLU 54 Cb 1.33 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.44 3fap h GLU 54 CO 0.56 0.59 -0.66 0.14 -1.00 0.00 0.00 179.01 178.65 3fap s VAL 55 N -4.14 1.63 1.02 3.13 -7.23 -1.26 -5.11 120.40 108.44 3fap s VAL 55 Ca -0.04 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 57.90 3fap s VAL 55 Cb 0.13 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.63 3fap s VAL 55 CO 0.77 -0.21 0.63 2.30 -0.31 0.00 0.00 175.10 178.28 3fap n ILE 56 N -0.65 0.00 0.17 -0.62 -5.35 -1.26 -4.67 119.36 106.98 3fap n ILE 56 Ca -0.05 -0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.27 3fap n ILE 56 Cb 0.64 -0.79 0.25 0.00 -1.74 0.00 0.00 39.64 38.00 3fap n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3fap h ARG 57 N -1.98 0.00 -0.84 6.28 2.43 -1.80 -1.68 114.38 116.79 3fap h ARG 57 Ca -0.49 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.75 3fap h ARG 57 Cb 1.31 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 3fap h ARG 57 CO 0.40 0.42 0.51 0.78 -1.51 0.00 0.00 179.97 180.57 3fap h GLY 58 N 2.47 1.27 0.97 2.80 0.00 -1.46 0.30 103.07 109.42 3fap h GLY 58 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3fap h GLY 58 CO 0.05 0.24 -0.59 1.49 0.00 0.00 0.00 176.54 177.74 3fap h TRP 59 N 0.93 0.82 -0.73 5.60 4.06 -1.59 0.47 115.95 125.51 3fap h TRP 59 Ca 0.37 -0.36 0.10 0.00 2.06 0.00 0.00 58.89 61.06 3fap h TRP 59 Cb 0.20 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 28.16 3fap h TRP 59 CO -0.04 1.16 0.37 1.49 -3.56 0.00 0.00 178.44 177.86 3fap h GLU 60 N 0.25 0.61 0.08 0.49 4.57 -1.06 0.48 114.58 120.00 3fap h GLU 60 Ca -0.04 -0.04 -0.29 0.00 -1.18 0.00 0.00 59.36 57.81 3fap h GLU 60 Cb 1.23 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 3fap h GLU 60 CO 0.12 0.40 -1.51 0.93 -1.18 0.00 0.00 179.01 177.78 3fap h GLU 61 N 0.63 0.17 0.43 1.92 5.08 -0.47 -3.20 114.58 119.13 3fap h GLU 61 Ca 0.36 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3fap h GLU 61 Cb 0.38 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3fap h GLU 61 CO -0.27 0.99 -0.21 0.78 -1.00 0.00 0.00 179.01 179.30 3fap h GLY 62 N 2.17 -0.60 2.00 -3.84 0.00 0.22 -3.27 103.07 99.75 3fap h GLY 62 Ca -0.22 0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3fap h GLY 62 CO 0.14 -0.22 -0.38 -2.08 0.00 0.00 0.00 176.54 174.00 3fap h VAL 63 N -0.70 1.07 -0.19 4.60 2.07 -1.08 -2.80 116.25 119.21 3fap h VAL 63 Ca -0.06 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 3fap h VAL 63 Cb 0.51 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3fap h VAL 63 CO 0.10 0.37 0.11 0.00 0.02 0.00 0.00 177.57 178.17 3fap h ALA 64 N 1.62 1.84 -0.00 1.67 0.00 -1.66 -0.65 119.26 122.08 3fap h ALA 64 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fap h ALA 64 Cb 0.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fap h ALA 64 CO 0.05 0.14 -0.05 1.04 0.00 0.00 0.00 179.25 180.43 3fap n GLN 65 N -4.49 0.84 -3.58 0.00 6.02 -1.06 -4.45 117.38 110.66 3fap n GLN 65 Ca -0.00 -0.22 -0.29 0.00 -0.01 0.00 0.00 57.00 56.48 3fap n GLN 65 Cb 0.09 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 3fap n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3fap s MET 66 N -2.31 3.60 0.15 -1.09 -1.94 -0.25 -5.07 119.30 112.39 3fap s MET 66 Ca 0.35 -0.12 0.07 0.00 -1.71 0.00 0.00 55.69 54.28 3fap s MET 66 Cb 0.21 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 3fap s MET 66 CO 0.43 0.38 -0.05 -1.54 -0.01 0.00 0.00 175.02 174.22 3fap s SER 67 N -2.83 4.56 0.23 3.03 1.04 -1.26 -4.19 113.70 114.28 3fap s SER 67 Ca 0.41 -0.42 -0.30 0.00 0.48 0.00 0.00 55.95 56.11 3fap s SER 67 Cb -0.11 -0.91 -0.15 0.00 0.10 0.00 0.00 66.02 64.95 3fap s SER 67 CO 0.27 0.12 1.08 0.52 0.98 0.00 0.00 173.24 176.21 3fap n VAL 68 N 0.18 1.42 0.00 5.02 0.31 -0.34 -1.05 118.33 123.86 3fap n VAL 68 Ca -0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3fap n VAL 68 Cb 0.54 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 3fap n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fap n GLY 69 N 1.68 2.41 3.78 2.92 0.00 0.32 -2.15 105.19 114.16 3fap n GLY 69 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3fap n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fap s GLN 70 N -0.20 4.32 -0.06 1.61 0.74 -0.21 -4.26 119.66 121.59 3fap s GLN 70 Ca 0.00 1.42 0.03 0.00 0.05 0.00 0.00 55.36 56.87 3fap s GLN 70 Cb 0.00 -2.61 0.00 0.00 1.10 0.00 0.00 33.01 31.50 3fap s GLN 70 CO 0.00 0.02 -0.17 0.50 -0.55 0.00 0.00 175.29 175.09 3fap s ARG 71 N -2.39 2.02 0.07 1.67 3.52 0.49 -1.08 118.95 123.25 3fap s ARG 71 Ca 0.55 -0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 55.49 3fap s ARG 71 Cb -0.20 -1.66 -0.01 0.00 -1.56 0.00 0.00 34.95 31.52 3fap s ARG 71 CO 0.25 0.15 0.13 0.00 -0.81 0.00 0.00 175.30 175.02 3fap s ALA 72 N 0.33 -0.05 -0.25 6.12 0.00 -0.17 0.21 121.76 127.95 3fap s ALA 72 Ca -0.11 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 3fap s ALA 72 Cb -0.14 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 3fap s ALA 72 CO 0.04 -0.44 0.05 0.21 0.00 0.00 0.00 175.76 175.62 3fap s LYS 73 N -3.60 3.52 -0.25 0.00 2.20 0.60 -0.23 119.74 121.98 3fap s LYS 73 Ca 0.03 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 55.00 3fap s LYS 73 Cb 0.04 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3fap s LYS 73 CO -0.09 -0.23 0.10 -0.51 -0.36 0.00 0.00 175.35 174.26 3fap s LEU 74 N 1.57 3.67 -0.25 5.43 1.02 0.95 -1.33 118.68 129.74 3fap s LEU 74 Ca 0.06 -0.10 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 3fap s LEU 74 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.08 3fap s LEU 74 CO 0.02 -0.00 -0.01 -0.89 0.02 0.00 0.00 176.35 175.49 3fap s THR 75 N 1.45 3.44 -0.14 5.49 2.01 0.58 -1.28 115.64 127.18 3fap s THR 75 Ca 0.06 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.40 3fap s THR 75 Cb -0.15 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.69 3fap s THR 75 CO 0.05 0.26 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.41 3fap s ILE 76 N 1.45 2.23 0.74 1.82 1.01 0.33 -0.98 121.20 127.79 3fap s ILE 76 Ca 0.03 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3fap s ILE 76 Cb -0.16 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3fap s ILE 76 CO -0.02 0.54 1.10 -0.94 0.00 0.00 0.00 174.94 175.62 3fap s SER 77 N 0.76 5.12 0.47 3.58 1.04 -0.59 -1.04 113.70 123.04 3fap s SER 77 Ca -0.08 1.17 0.13 0.00 0.48 0.00 0.00 55.95 57.66 3fap s SER 77 Cb -0.16 -1.94 1.10 0.00 0.10 0.00 0.00 66.02 65.12 3fap s SER 77 CO -0.00 -1.56 2.07 -0.65 0.98 0.00 0.00 173.24 174.09 3fap h PRO 78 N -0.80 0.26 0.00 4.02 0.11 -1.85 -0.07 132.00 133.67 3fap h PRO 78 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3fap h PRO 78 Cb 1.26 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fap h PRO 78 CO 0.62 0.17 -0.07 -0.44 -0.21 0.00 0.00 178.00 178.08 3fap h ASP 79 N 0.27 0.00 -0.41 -2.05 5.19 -1.90 -0.59 116.42 116.92 3fap h ASP 79 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3fap h ASP 79 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3fap h ASP 79 CO -0.03 0.07 0.00 -1.22 -3.12 0.00 0.00 179.24 174.94 3fap n TYR 80 N -3.18 0.53 0.00 4.55 4.02 -0.07 -4.91 117.16 118.09 3fap n TYR 80 Ca 0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 3fap n TYR 80 Cb 0.35 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3fap n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fap n ALA 81 N 1.36 0.00 0.23 -0.72 0.00 -0.30 -1.12 120.51 119.97 3fap n ALA 81 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.69 3fap n ALA 81 Cb 0.57 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.13 3fap n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fap n TYR 82 N 0.00 0.23 -4.11 0.00 4.01 -1.16 -4.79 117.16 111.35 3fap n TYR 82 Ca 0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 3fap n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 3fap n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fap n GLY 83 N 0.73 -0.77 0.22 2.72 0.00 -0.80 0.25 105.19 107.54 3fap n GLY 83 Ca 0.10 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.99 3fap n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fap h ALA 84 N -0.11 1.49 0.11 4.61 0.00 -1.94 -1.36 119.26 122.06 3fap h ALA 84 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.37 3fap h ALA 84 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fap h ALA 84 CO 0.00 0.37 -1.22 1.15 0.00 0.00 0.00 179.25 179.56 3fap h THR 85 N 0.10 1.34 -0.33 0.00 2.02 -1.91 -3.33 112.91 110.80 3fap h THR 85 Ca 0.02 -2.58 0.00 0.00 0.77 0.00 0.00 66.41 64.62 3fap h THR 85 Cb 0.48 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3fap h THR 85 CO 0.03 0.78 0.00 0.61 0.37 0.00 0.00 175.52 177.31 3fap n GLY 86 N 1.36 -0.39 2.59 2.16 0.00 0.14 -4.33 105.19 106.72 3fap n GLY 86 Ca -0.12 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 3fap n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fap s HIS 87 N 0.00 0.94 -0.21 1.61 5.04 -0.30 -4.87 115.29 117.50 3fap s HIS 87 Ca 0.00 -1.44 -0.37 0.00 -1.54 0.00 0.00 55.06 51.71 3fap s HIS 87 Cb 0.00 -1.21 -0.13 0.00 0.04 0.00 0.00 32.58 31.28 3fap s HIS 87 CO 0.00 -0.84 1.89 -2.30 -2.34 0.00 0.00 174.74 171.15 3fap n PRO 88 N 4.67 1.59 0.00 2.88 -0.02 -1.26 -0.61 135.00 142.25 3fap n PRO 88 Ca 0.01 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3fap n PRO 88 Cb 0.40 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3fap n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fap n GLY 89 N 4.72 0.86 1.79 -1.23 0.00 -1.26 -4.79 105.19 105.28 3fap n GLY 89 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3fap n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3fap n ILE 90 N -1.93 0.12 -3.97 -0.61 5.41 0.22 -5.07 119.36 113.53 3fap n ILE 90 Ca 0.00 0.04 -0.34 0.00 1.00 0.00 0.00 62.75 63.44 3fap n ILE 90 Cb 0.00 -0.72 -0.15 0.00 -0.71 0.00 0.00 39.64 38.07 3fap n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3fap s ILE 91 N -2.00 2.89 1.12 1.39 -1.09 -0.50 -4.99 121.20 118.03 3fap s ILE 91 Ca 0.00 -0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 3fap s ILE 91 Cb 0.00 -2.37 0.26 0.00 -1.58 0.00 0.00 42.46 38.77 3fap s ILE 91 CO 0.00 0.34 1.05 -2.84 -1.23 0.00 0.00 174.94 172.26 3fap s PRO 92 N 1.37 -0.54 0.55 2.79 0.02 -1.26 -1.15 135.00 136.78 3fap s PRO 92 Ca 0.03 0.72 -0.20 0.00 0.02 0.00 0.00 61.00 61.57 3fap s PRO 92 Cb -0.15 -1.61 -0.07 0.00 0.02 0.00 0.00 34.50 32.70 3fap s PRO 92 CO -0.06 -3.44 0.95 -2.30 -0.33 0.00 0.00 177.00 171.82 3fap n PRO 93 N -4.70 1.02 -4.09 5.54 -0.02 -1.26 -3.57 135.00 127.92 3fap n PRO 93 Ca 0.04 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.61 3fap n PRO 93 Cb 0.55 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 3fap n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3fap n HIS 94 N -1.36 -1.59 -3.59 6.00 8.25 -0.52 -4.93 115.22 117.48 3fap n HIS 94 Ca 0.12 0.73 -0.36 0.00 -0.26 0.00 0.00 57.72 57.95 3fap n HIS 94 Cb 0.45 -3.36 -0.08 0.00 1.12 0.00 0.00 29.99 28.12 3fap n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fap s ALA 95 N -3.86 3.62 0.14 -1.41 0.00 -1.23 -4.71 121.76 114.29 3fap s ALA 95 Ca 0.19 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 3fap s ALA 95 Cb -0.11 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 3fap s ALA 95 CO 0.92 0.00 1.04 0.99 0.00 0.00 0.00 175.76 178.71 3fap s THR 96 N 0.67 4.20 0.12 0.00 2.01 -1.26 -3.79 115.64 117.59 3fap s THR 96 Ca 0.13 1.84 0.04 0.00 0.31 0.00 0.00 61.69 64.01 3fap s THR 96 Cb -0.13 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3fap s THR 96 CO 0.03 0.29 0.12 -0.76 -0.69 0.00 0.00 174.62 173.61 3fap s LEU 97 N -0.10 3.85 -0.16 4.42 1.43 -0.20 -3.01 118.68 124.91 3fap s LEU 97 Ca 0.49 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3fap s LEU 97 Cb -0.26 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.50 3fap s LEU 97 CO 0.32 0.11 -0.09 -0.69 0.23 0.00 0.00 176.35 176.23 3fap s VAL 98 N -1.59 1.37 -0.09 -1.59 1.01 0.12 -0.51 120.40 119.11 3fap s VAL 98 Ca 0.31 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3fap s VAL 98 Cb -0.11 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3fap s VAL 98 CO 0.23 0.25 -0.04 -0.36 0.00 0.00 0.00 175.10 175.19 3fap s PHE 99 N 1.54 3.04 -0.39 5.22 0.40 -0.41 -1.05 117.98 126.33 3fap s PHE 99 Ca 0.02 0.01 -0.18 0.00 -0.60 0.00 0.00 56.93 56.18 3fap s PHE 99 Cb -0.15 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.60 3fap s PHE 99 CO -0.09 0.30 0.51 0.34 0.70 0.00 0.00 175.22 176.99 3fap s ASP 100 N -0.58 6.27 0.02 1.36 -1.08 -0.11 -0.03 116.67 122.53 3fap s ASP 100 Ca 0.09 -0.30 0.06 0.00 -0.52 0.00 0.00 52.55 51.88 3fap s ASP 100 Cb -0.12 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 3fap s ASP 100 CO 0.02 -0.57 -0.18 0.68 0.52 0.00 0.00 175.17 175.64 3fap s VAL 101 N 2.40 1.42 -0.16 1.11 -7.23 0.67 -1.54 120.40 117.07 3fap s VAL 101 Ca 0.17 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 3fap s VAL 101 Cb -0.16 -1.22 0.02 0.00 0.56 0.00 0.00 36.38 35.58 3fap s VAL 101 CO 0.15 0.22 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.26 3fap s GLU 102 N -0.89 2.89 -0.61 4.82 2.12 0.30 -0.99 118.70 126.34 3fap s GLU 102 Ca 0.06 -0.79 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 3fap s GLU 102 Cb -0.08 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.89 3fap s GLU 102 CO 0.01 -0.16 1.06 -1.17 -0.54 0.00 0.00 175.26 174.46 3fap s LEU 103 N 1.19 3.83 -0.05 2.70 2.96 -0.24 -1.20 118.68 127.88 3fap s LEU 103 Ca 0.02 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.35 3fap s LEU 103 Cb -0.14 -2.79 -0.31 0.00 0.50 0.00 0.00 46.19 43.45 3fap s LEU 103 CO -0.10 -1.43 0.86 -0.07 -1.32 0.00 0.00 176.35 174.29 3fap h LEU 104 N 11.62 0.49 -7.00 -0.68 3.38 -1.17 0.94 115.31 122.90 3fap h LEU 104 Ca -0.27 -0.94 0.13 0.00 0.09 0.00 0.00 57.88 56.90 3fap h LEU 104 Cb 1.06 -0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.47 3fap h LEU 104 CO 1.16 1.45 0.58 -1.59 0.09 0.00 0.00 178.44 180.14 3fap s LYS 105 N -2.45 0.63 -0.07 1.13 -2.85 -1.16 -4.51 119.74 110.47 3fap s LYS 105 Ca -0.14 -0.13 0.03 0.00 -1.00 0.00 0.00 55.97 54.73 3fap s LYS 105 Cb 0.02 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 3fap s LYS 105 CO 0.83 -0.25 -0.14 -0.51 0.10 0.00 0.00 175.35 175.38 3fap s LEU 106 N -1.99 2.75 0.00 2.77 1.43 -1.26 -2.15 118.68 120.23 3fap s LEU 106 Ca 0.04 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3fap s LEU 106 Cb -0.01 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3fap s LEU 106 CO -0.05 0.31 0.00 -1.84 0.23 0.00 0.00 176.35 175.00