#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fap s VAL 2 N 0.00 0.41 -0.14 1.61 0.11 -1.26 -2.34 120.40 118.78 2fap s VAL 2 Ca 0.00 -0.14 -0.07 0.00 -2.93 0.00 0.00 61.98 58.84 2fap s VAL 2 Cb 0.00 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2fap s VAL 2 CO 0.00 0.15 0.12 -1.10 -3.33 0.00 0.00 175.10 170.94 2fap s GLN 3 N 0.38 3.62 -0.28 1.54 -1.52 0.04 -4.97 119.66 118.48 2fap s GLN 3 Ca -0.04 -0.20 -0.01 0.00 -1.95 0.00 0.00 55.36 53.16 2fap s GLN 3 Cb -0.08 -3.21 0.04 0.00 -0.22 0.00 0.00 33.01 29.54 2fap s GLN 3 CO -0.00 0.62 -0.04 0.08 -0.25 0.00 0.00 175.29 175.70 2fap s VAL 4 N -0.57 2.84 -0.22 1.09 1.01 -1.26 -1.23 120.40 122.07 2fap s VAL 4 Ca 0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 2fap s VAL 4 Cb -0.12 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2fap s VAL 4 CO 0.02 0.02 -0.02 -1.61 0.00 0.00 0.00 175.10 173.51 2fap s GLU 5 N 1.26 3.45 0.00 2.72 2.02 0.01 -4.92 118.70 123.24 2fap s GLU 5 Ca -0.04 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.06 2fap s GLU 5 Cb -0.19 -3.06 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 2fap s GLU 5 CO -0.03 -0.17 1.22 0.99 0.02 0.00 0.00 175.26 177.30 2fap s THR 6 N 1.43 4.09 -0.25 3.63 2.01 -1.26 0.41 115.64 125.69 2fap s THR 6 Ca 0.05 1.46 -0.15 0.00 0.31 0.00 0.00 61.69 63.37 2fap s THR 6 Cb -0.14 -3.94 -0.15 0.00 0.01 0.00 0.00 72.50 68.28 2fap s THR 6 CO -0.01 0.05 -0.16 -0.38 -0.69 0.00 0.00 174.62 173.43 2fap n ILE 7 N 4.31 1.54 -4.04 1.82 5.41 0.13 -4.89 119.36 123.64 2fap n ILE 7 Ca 0.10 -0.31 -0.18 0.00 1.00 0.00 0.00 62.75 63.37 2fap n ILE 7 Cb 0.46 -1.89 -0.16 0.00 -0.71 0.00 0.00 39.64 37.34 2fap n ILE 7 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2fap s SER 8 N -7.23 0.60 0.39 4.38 0.01 -0.28 -4.97 113.70 106.60 2fap s SER 8 Ca -0.35 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 56.59 2fap s SER 8 Cb 0.12 -0.28 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 2fap s SER 8 CO 0.54 -0.06 1.15 -2.16 0.41 0.00 0.00 173.24 173.11 2fap s PRO 9 N 0.83 4.10 0.51 12.44 0.04 -1.26 -0.44 135.00 151.22 2fap s PRO 9 Ca -0.09 1.79 0.02 0.00 0.04 0.00 0.00 61.00 62.76 2fap s PRO 9 Cb -0.12 -2.69 0.10 0.00 0.04 0.00 0.00 34.50 31.82 2fap s PRO 9 CO -0.01 -0.27 0.70 0.41 0.04 0.00 0.00 177.00 177.87 2fap n GLY 10 N 0.62 1.05 0.00 0.56 0.00 -1.26 -4.17 105.19 102.00 2fap n GLY 10 Ca 0.04 -2.07 0.07 0.00 0.00 0.00 0.00 46.02 44.07 2fap n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2fap n ASP 11 N -2.81 0.00 0.00 1.61 5.68 -0.82 -4.85 116.55 115.36 2fap n ASP 11 Ca 0.12 0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 2fap n ASP 11 Cb 0.44 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2fap n ASP 11 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2fap n GLY 12 N -0.01 1.17 0.00 6.12 0.00 -1.26 -4.69 105.19 106.52 2fap n GLY 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2fap n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2fap n ARG 13 N -2.00 1.03 -2.64 1.61 1.85 -1.26 -4.98 116.66 110.27 2fap n ARG 13 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 2fap n ARG 13 Cb 0.00 -0.70 -0.03 0.00 -1.05 0.00 0.00 32.46 30.68 2fap n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2fap s THR 14 N -1.40 4.04 0.26 8.89 2.01 -1.26 -5.00 115.64 123.18 2fap s THR 14 Ca 0.00 -0.56 0.06 0.00 0.31 0.00 0.00 61.69 61.50 2fap s THR 14 Cb 0.00 -4.95 -0.03 0.00 0.01 0.00 0.00 72.50 67.53 2fap s THR 14 CO 0.00 -1.81 0.31 -0.36 -0.69 0.00 0.00 174.62 172.07 2fap s PHE 15 N 4.72 3.27 0.22 4.92 0.40 -1.26 -1.06 117.98 129.18 2fap s PHE 15 Ca 0.39 -0.09 -0.30 0.00 -0.60 0.00 0.00 56.93 56.33 2fap s PHE 15 Cb -0.04 -1.57 -0.08 0.00 0.51 0.00 0.00 43.02 41.83 2fap s PHE 15 CO -0.02 0.41 1.01 -1.25 0.70 0.00 0.00 175.22 176.07 2fap s PRO 16 N -3.95 4.74 0.08 0.24 0.04 -1.26 -5.00 135.00 129.89 2fap s PRO 16 Ca 0.35 1.60 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 2fap s PRO 16 Cb -0.08 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2fap s PRO 16 CO 0.28 0.32 0.24 0.15 0.04 0.00 0.00 177.00 178.03 2fap s LYS 17 N -0.92 3.46 0.02 4.56 3.01 -1.26 -4.96 119.74 123.65 2fap s LYS 17 Ca 0.44 -0.41 -0.36 0.00 -1.01 0.00 0.00 55.97 54.63 2fap s LYS 17 Cb -0.28 -3.00 -0.15 0.00 -1.01 0.00 0.00 37.83 33.39 2fap s LYS 17 CO 0.34 0.58 1.57 -2.13 0.51 0.00 0.00 175.35 176.22 2fap n ARG 18 N 0.16 1.60 0.00 1.68 0.63 -1.26 -1.08 116.66 118.39 2fap n ARG 18 Ca -0.05 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 2fap n ARG 18 Cb 0.51 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.12 2fap n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2fap n GLY 19 N 3.38 2.98 3.78 5.14 0.00 -0.35 -4.99 105.19 115.13 2fap n GLY 19 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 2fap n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fap s GLN 20 N -0.79 3.35 -0.28 1.61 -0.21 -0.24 -4.75 119.66 118.34 2fap s GLN 20 Ca 0.00 1.54 -0.16 0.00 0.02 0.00 0.00 55.36 56.76 2fap s GLN 20 Cb 0.00 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 2fap s GLN 20 CO 0.00 -0.84 0.41 0.99 -2.12 0.00 0.00 175.29 173.73 2fap s THR 21 N -1.89 5.14 -0.21 -0.19 2.01 -0.63 -0.95 115.64 118.91 2fap s THR 21 Ca 0.71 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 63.07 2fap s THR 21 Cb -0.22 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 2fap s THR 21 CO 0.28 0.08 0.51 0.00 -0.69 0.00 0.00 174.62 174.80 2fap s VAL 23 N 1.77 5.29 0.17 0.00 1.01 -0.40 -2.42 120.40 125.83 2fap s VAL 23 Ca 0.23 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.20 2fap s VAL 23 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2fap s VAL 23 CO 0.09 0.08 -0.13 0.68 0.00 0.00 0.00 175.10 175.82 2fap s VAL 24 N 1.75 1.44 -0.15 2.92 -7.23 0.18 -0.29 120.40 119.02 2fap s VAL 24 Ca 0.07 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 2fap s VAL 24 Cb -0.17 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2fap s VAL 24 CO 0.11 -0.62 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.25 2fap s HIS 25 N -2.94 3.05 0.06 2.82 3.76 -0.59 -0.56 115.29 120.89 2fap s HIS 25 Ca 0.17 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2fap s HIS 25 Cb -0.00 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 2fap s HIS 25 CO 0.04 0.04 -0.13 1.52 -0.85 0.00 0.00 174.74 175.36 2fap s TYR 26 N 0.20 1.08 -0.15 1.40 -0.85 -1.26 -0.72 117.35 117.06 2fap s TYR 26 Ca -0.01 -0.45 -0.00 0.00 -0.52 0.00 0.00 57.07 56.08 2fap s TYR 26 Cb -0.14 -0.62 0.03 0.00 0.38 0.00 0.00 41.96 41.62 2fap s TYR 26 CO 0.03 0.02 -0.08 0.99 -1.52 0.00 0.00 175.55 174.99 2fap s THR 27 N -1.22 1.18 -0.07 -3.49 2.01 0.01 -0.22 115.64 113.84 2fap s THR 27 Ca -0.03 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 2fap s THR 27 Cb -0.10 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2fap s THR 27 CO 0.02 0.26 0.15 -0.83 -0.69 0.00 0.00 174.62 173.53 2fap s GLY 28 N 1.62 2.15 0.02 4.40 0.00 0.19 -0.71 107.32 115.00 2fap s GLY 28 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.92 2fap s GLY 28 CO -0.08 -0.50 0.27 -3.16 0.00 0.00 0.00 173.10 169.63 2fap s MET 29 N -1.40 0.71 0.84 2.90 0.23 0.15 -1.25 119.30 121.49 2fap s MET 29 Ca 0.20 -0.41 -0.11 0.00 -1.03 0.00 0.00 55.69 54.34 2fap s MET 29 Cb -0.12 0.31 0.10 0.00 -1.53 0.00 0.00 34.83 33.58 2fap s MET 29 CO 0.10 -0.21 1.10 -0.51 -2.03 0.00 0.00 175.02 173.47 2fap s LEU 30 N -1.75 2.74 0.42 0.18 1.43 0.08 -0.98 118.68 120.79 2fap s LEU 30 Ca -0.09 1.80 0.29 0.00 -1.03 0.00 0.00 54.13 55.10 2fap s LEU 30 Cb -0.03 -4.35 1.49 0.00 0.03 0.00 0.00 46.19 43.33 2fap s LEU 30 CO -0.00 -2.45 1.87 1.05 0.23 0.00 0.00 176.35 177.05 2fap h GLU 31 N -1.42 0.00 -0.19 1.70 4.11 -1.89 0.27 114.58 117.16 2fap h GLU 31 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2fap h GLU 31 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2fap h GLU 31 CO 0.50 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.18 2fap n ASP 32 N -2.52 1.44 0.00 3.06 5.75 -1.26 -4.91 116.55 118.11 2fap n ASP 32 Ca -0.01 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 2fap n ASP 32 Cb 0.09 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2fap n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fap n GLY 33 N 1.03 0.80 3.63 6.12 0.00 0.94 -5.03 105.19 112.69 2fap n GLY 33 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2fap n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fap s LYS 34 N -0.59 3.83 0.10 1.61 1.02 -1.25 -4.81 119.74 119.67 2fap s LYS 34 Ca 0.00 1.86 -0.30 0.00 0.02 0.00 0.00 55.97 57.55 2fap s LYS 34 Cb 0.00 -4.06 -0.06 0.00 -0.52 0.00 0.00 37.83 33.19 2fap s LYS 34 CO 0.00 -1.26 1.10 0.21 -0.92 0.00 0.00 175.35 174.48 2fap s LYS 35 N 4.69 4.54 -0.01 1.68 2.20 -1.26 -0.74 119.74 130.83 2fap s LYS 35 Ca 0.76 1.66 0.08 0.00 -0.36 0.00 0.00 55.97 58.10 2fap s LYS 35 Cb -0.28 -3.34 -0.12 0.00 -1.51 0.00 0.00 37.83 32.58 2fap s LYS 35 CO 0.31 -0.05 0.16 1.97 -0.36 0.00 0.00 175.35 177.38 2fap n PHE 36 N 3.20 0.00 -3.62 4.03 1.16 -0.38 -4.96 117.46 116.90 2fap n PHE 36 Ca 0.05 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 2fap n PHE 36 Cb 0.47 -0.18 -0.07 0.00 -1.61 0.00 0.00 39.48 38.10 2fap n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2fap s ASP 37 N -2.90 -0.63 -0.16 5.98 2.15 -1.19 -5.02 116.67 114.90 2fap s ASP 37 Ca -0.03 1.17 -0.08 0.00 0.43 0.00 0.00 52.55 54.04 2fap s ASP 37 Cb 0.05 1.16 0.06 0.00 -0.30 0.00 0.00 42.92 43.89 2fap s ASP 37 CO 0.31 -0.25 0.36 -0.55 -0.17 0.00 0.00 175.17 174.88 2fap s SER 38 N 0.15 -0.32 0.48 -0.34 0.15 -1.26 0.52 113.70 113.09 2fap s SER 38 Ca 0.00 0.81 0.27 0.00 0.70 0.00 0.00 55.95 57.73 2fap s SER 38 Cb -0.04 0.80 1.18 0.00 -1.71 0.00 0.00 66.02 66.25 2fap s SER 38 CO -0.01 -0.20 1.94 0.77 1.20 0.00 0.00 173.24 176.94 2fap h SER 39 N 7.47 0.00 0.37 5.45 4.64 -0.91 -2.89 113.55 127.68 2fap h SER 39 Ca -0.31 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.87 2fap h SER 39 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2fap h SER 39 CO 0.26 0.16 -0.59 0.03 -0.87 0.00 0.00 176.83 175.82 2fap h ARG 40 N 0.00 0.23 0.00 4.77 3.08 -1.85 -1.64 114.38 118.97 2fap h ARG 40 Ca -0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2fap h ARG 40 Cb 0.57 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2fap h ARG 40 CO 0.02 0.75 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.22 2fap h ASP 41 N 0.17 0.00 -0.01 7.04 3.32 -1.86 -1.89 116.42 123.20 2fap h ASP 41 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2fap h ASP 41 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2fap h ASP 41 CO 0.09 0.01 -0.72 0.54 -1.72 0.00 0.00 179.24 177.45 2fap n ARG 42 N -3.50 0.82 -0.85 3.56 1.74 -0.88 -4.98 116.66 112.56 2fap n ARG 42 Ca -0.03 -0.44 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 2fap n ARG 42 Cb 0.10 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2fap n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2fap n ASN 43 N -0.82 -3.24 -4.11 0.55 3.02 -0.67 -4.96 115.26 105.03 2fap n ASN 43 Ca 0.06 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.33 2fap n ASN 43 Cb 0.37 -2.49 -0.17 0.00 -0.61 0.00 0.00 39.78 36.88 2fap n ASN 43 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2fap s LYS 44 N -1.25 2.35 0.94 3.52 -2.85 -1.18 -5.02 119.74 116.25 2fap s LYS 44 Ca 0.00 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.97 54.23 2fap s LYS 44 Cb 0.00 -1.85 0.16 0.00 -2.06 0.00 0.00 37.83 34.08 2fap s LYS 44 CO 0.00 0.08 1.11 -2.14 0.10 0.00 0.00 175.35 174.51 2fap s PRO 45 N 0.56 0.84 -0.16 1.78 0.02 -1.26 -4.71 135.00 132.07 2fap s PRO 45 Ca -0.16 1.29 -0.05 0.00 0.02 0.00 0.00 61.00 62.10 2fap s PRO 45 Cb -0.17 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 2fap s PRO 45 CO 0.05 -2.67 0.02 0.12 -0.33 0.00 0.00 177.00 174.19 2fap s PHE 46 N -2.68 3.16 -0.02 6.54 5.36 0.28 -4.92 117.98 125.70 2fap s PHE 46 Ca 0.66 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 56.65 2fap s PHE 46 Cb -0.22 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 2fap s PHE 46 CO 0.59 0.15 -0.17 0.15 -1.46 0.00 0.00 175.22 174.48 2fap s LYS 47 N 0.13 2.33 -0.07 10.12 1.02 -1.26 -0.65 119.74 131.36 2fap s LYS 47 Ca 0.02 -0.81 -0.22 0.00 0.02 0.00 0.00 55.97 54.98 2fap s LYS 47 Cb -0.13 -2.28 0.05 0.00 -0.52 0.00 0.00 37.83 34.95 2fap s LYS 47 CO 0.02 0.59 0.51 -0.59 -0.92 0.00 0.00 175.35 174.96 2fap s PHE 48 N -0.78 -0.46 -0.14 3.18 -0.71 -1.01 -5.00 117.98 113.05 2fap s PHE 48 Ca 0.12 0.88 -0.22 0.00 -1.04 0.00 0.00 56.93 56.68 2fap s PHE 48 Cb -0.10 0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.92 2fap s PHE 48 CO 0.02 -0.45 0.66 1.41 -1.34 0.00 0.00 175.22 175.51 2fap s MET 49 N -0.90 4.31 0.37 1.99 1.75 -1.26 -0.80 119.30 124.76 2fap s MET 49 Ca -0.09 0.73 -0.27 0.00 -1.25 0.00 0.00 55.69 54.80 2fap s MET 49 Cb -0.03 -3.52 -0.10 0.00 2.84 0.00 0.00 34.83 34.03 2fap s MET 49 CO 0.06 -0.11 1.31 -1.17 -0.65 0.00 0.00 175.02 174.46 2fap s LEU 50 N 1.44 4.32 -0.82 4.11 2.96 -0.12 -3.56 118.68 127.01 2fap s LEU 50 Ca 0.32 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.92 2fap s LEU 50 Cb -0.16 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.76 2fap s LEU 50 CO 0.13 -0.70 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 2fap n GLY 51 N 0.71 0.06 0.00 7.98 0.00 -1.26 -1.20 105.19 111.47 2fap n GLY 51 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2fap n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fap n LYS 52 N -1.96 1.64 -2.23 1.61 4.01 -1.23 -4.85 118.16 115.16 2fap n LYS 52 Ca -0.11 -1.16 -0.20 0.00 -0.51 0.00 0.00 58.31 56.33 2fap n LYS 52 Cb 0.57 -1.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.06 2fap n LYS 52 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2fap n GLN 53 N -0.33 -1.69 0.12 1.97 3.00 -1.26 -4.88 117.38 114.31 2fap n GLN 53 Ca 0.00 1.01 -0.02 0.00 -0.01 0.00 0.00 57.00 57.97 2fap n GLN 53 Cb 0.17 -5.60 0.18 0.00 0.00 0.00 0.00 30.24 24.98 2fap n GLN 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2fap h GLU 54 N 0.00 0.11 -5.58 -1.09 5.08 -1.94 -3.46 114.58 107.70 2fap h GLU 54 Ca -0.46 -0.07 -0.50 0.00 -1.00 0.00 0.00 59.36 57.33 2fap h GLU 54 Cb 1.34 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.46 2fap h GLU 54 CO 0.56 0.65 -0.69 0.14 -1.00 0.00 0.00 179.01 178.68 2fap s VAL 55 N -3.78 1.74 0.60 3.13 -7.23 -1.26 -5.12 120.40 108.48 2fap s VAL 55 Ca -0.03 -2.15 -0.18 0.00 -1.81 0.00 0.00 61.98 57.81 2fap s VAL 55 Cb 0.13 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2fap s VAL 55 CO 0.77 -0.33 0.92 2.30 -0.31 0.00 0.00 175.10 178.45 2fap n ILE 56 N -0.58 3.59 -0.31 -0.62 -5.35 -1.26 -4.73 119.36 110.10 2fap n ILE 56 Ca -0.06 -0.50 0.07 0.00 -0.27 0.00 0.00 62.75 61.99 2fap n ILE 56 Cb 0.63 -1.10 0.22 0.00 -1.74 0.00 0.00 39.64 37.64 2fap n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2fap h ARG 57 N 0.45 0.70 -0.93 6.28 2.43 -1.87 -0.47 114.38 120.97 2fap h ARG 57 Ca -0.48 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.73 2fap h ARG 57 Cb 1.37 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.69 2fap h ARG 57 CO 0.50 0.46 0.60 0.78 -1.51 0.00 0.00 179.97 180.80 2fap h GLY 58 N 0.72 1.38 0.90 2.80 0.00 -1.27 0.47 103.07 108.07 2fap h GLY 58 Ca 0.46 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 2fap h GLY 58 CO -0.32 0.24 -0.12 1.49 0.00 0.00 0.00 176.54 177.83 2fap h TRP 59 N 0.98 0.68 -0.48 5.60 4.06 -1.35 0.62 115.95 126.05 2fap h TRP 59 Ca 0.42 -0.16 0.02 0.00 2.06 0.00 0.00 58.89 61.24 2fap h TRP 59 Cb 0.34 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 2fap h TRP 59 CO -0.00 0.81 0.28 1.49 -3.56 0.00 0.00 178.44 177.46 2fap h GLU 60 N 0.34 0.54 0.12 0.49 4.57 -0.63 0.11 114.58 120.12 2fap h GLU 60 Ca 0.07 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.93 2fap h GLU 60 Cb 0.62 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2fap h GLU 60 CO 0.04 0.36 -1.35 0.93 -1.18 0.00 0.00 179.01 177.80 2fap h GLU 61 N 0.56 0.26 -0.11 1.92 5.08 -1.02 -3.01 114.58 118.25 2fap h GLU 61 Ca 0.20 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2fap h GLU 61 Cb 0.03 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2fap h GLU 61 CO -0.10 1.17 -0.10 0.78 -1.00 0.00 0.00 179.01 179.77 2fap h GLY 62 N 1.67 0.28 1.99 -3.84 0.00 -0.73 -3.27 103.07 99.17 2fap h GLY 62 Ca -0.18 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 2fap h GLY 62 CO 0.19 0.25 -0.56 -2.08 0.00 0.00 0.00 176.54 174.34 2fap h VAL 63 N -0.13 1.40 -0.31 4.60 2.07 -1.12 -2.98 116.25 119.78 2fap h VAL 63 Ca 0.02 -1.94 0.07 0.00 0.82 0.00 0.00 66.70 65.68 2fap h VAL 63 Cb 0.60 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2fap h VAL 63 CO 0.02 0.55 0.22 0.00 0.02 0.00 0.00 177.57 178.39 2fap h ALA 64 N 1.42 2.19 -0.64 1.67 0.00 -1.57 -1.51 119.26 120.82 2fap h ALA 64 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2fap h ALA 64 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2fap h ALA 64 CO 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2fap n GLN 65 N -4.46 3.92 -3.94 0.00 10.64 -1.13 -4.42 117.38 118.00 2fap n GLN 65 Ca 0.04 -2.90 -0.31 0.00 -1.83 0.00 0.00 57.00 52.00 2fap n GLN 65 Cb 0.33 -1.96 -0.04 0.00 -0.86 0.00 0.00 30.24 27.71 2fap n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 2fap s MET 66 N -1.99 3.37 0.23 2.61 -1.94 -0.57 -5.10 119.30 115.91 2fap s MET 66 Ca 0.52 -0.48 0.09 0.00 -1.71 0.00 0.00 55.69 54.11 2fap s MET 66 Cb 0.34 -3.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.14 2fap s MET 66 CO 0.23 0.60 -0.05 -1.54 -0.01 0.00 0.00 175.02 174.25 2fap s SER 67 N -2.52 4.39 0.23 3.03 1.04 -1.26 -4.18 113.70 114.43 2fap s SER 67 Ca 0.34 -0.62 -0.31 0.00 0.48 0.00 0.00 55.95 55.84 2fap s SER 67 Cb -0.13 -0.77 -0.14 0.00 0.10 0.00 0.00 66.02 65.08 2fap s SER 67 CO 0.27 0.05 1.38 0.52 0.98 0.00 0.00 173.24 176.44 2fap n VAL 68 N -0.45 0.95 0.00 5.02 0.31 -0.22 -1.73 118.33 122.21 2fap n VAL 68 Ca -0.08 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2fap n VAL 68 Cb 0.57 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2fap n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2fap n GLY 69 N 2.13 3.39 3.71 2.92 0.00 0.17 -1.94 105.19 115.58 2fap n GLY 69 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2fap n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fap s GLN 70 N -0.81 4.48 -0.25 1.61 0.74 -0.70 -4.47 119.66 120.26 2fap s GLN 70 Ca 0.00 1.67 -0.07 0.00 0.05 0.00 0.00 55.36 57.01 2fap s GLN 70 Cb 0.00 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.72 2fap s GLN 70 CO 0.00 -0.16 0.05 0.50 -0.55 0.00 0.00 175.29 175.13 2fap s ARG 71 N 0.89 3.56 0.26 1.67 3.52 0.42 -1.45 118.95 127.82 2fap s ARG 71 Ca 0.56 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.68 2fap s ARG 71 Cb -0.27 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2fap s ARG 71 CO 0.29 -0.21 -0.05 0.00 -0.81 0.00 0.00 175.30 174.52 2fap s ALA 72 N 1.58 2.21 -0.31 6.12 0.00 -0.35 0.20 121.76 131.21 2fap s ALA 72 Ca 0.06 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.11 2fap s ALA 72 Cb -0.15 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.23 2fap s ALA 72 CO 0.02 -0.10 0.06 0.21 0.00 0.00 0.00 175.76 175.96 2fap s LYS 73 N -3.75 2.71 -0.41 0.00 2.20 0.17 -1.84 119.74 118.81 2fap s LYS 73 Ca 0.29 -1.11 -0.18 0.00 -0.36 0.00 0.00 55.97 54.61 2fap s LYS 73 Cb 0.04 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2fap s LYS 73 CO 0.11 -0.58 0.51 -0.51 -0.36 0.00 0.00 175.35 174.52 2fap s LEU 74 N 1.38 4.63 -0.40 5.43 1.02 0.69 -0.81 118.68 130.63 2fap s LEU 74 Ca -0.01 -0.42 -0.17 0.00 0.02 0.00 0.00 54.13 53.54 2fap s LEU 74 Cb -0.19 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.51 2fap s LEU 74 CO 0.01 -0.61 0.45 -0.89 0.02 0.00 0.00 176.35 175.33 2fap s THR 75 N 2.39 5.08 -0.18 5.49 2.01 -0.36 -0.75 115.64 129.31 2fap s THR 75 Ca 0.16 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 2fap s THR 75 Cb -0.16 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2fap s THR 75 CO 0.15 -0.34 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.03 2fap s ILE 76 N 2.19 3.28 0.57 1.82 1.01 0.55 -0.78 121.20 129.85 2fap s ILE 76 Ca 0.14 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.04 2fap s ILE 76 Cb -0.17 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 2fap s ILE 76 CO 0.14 0.47 1.22 -0.55 0.00 0.00 0.00 174.94 176.22 2fap s SER 77 N 1.00 5.32 0.56 3.58 0.15 -0.99 -0.98 113.70 122.34 2fap s SER 77 Ca -0.00 2.43 0.28 0.00 0.70 0.00 0.00 55.95 59.36 2fap s SER 77 Cb -0.15 -2.60 1.46 0.00 -1.71 0.00 0.00 66.02 63.02 2fap s SER 77 CO -0.00 -1.51 1.94 1.55 1.20 0.00 0.00 173.24 176.42 2fap h PRO 78 N 1.11 0.00 -0.38 5.44 0.13 -1.84 0.19 132.00 136.65 2fap h PRO 78 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 2fap h PRO 78 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2fap h PRO 78 CO 0.56 0.00 0.09 -0.44 -0.23 0.00 0.00 178.00 177.98 2fap h ASP 79 N 0.00 0.51 -0.64 1.44 5.19 -1.91 0.13 116.42 121.14 2fap h ASP 79 Ca 0.28 -0.07 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2fap h ASP 79 Cb 1.23 -0.13 -0.07 0.00 0.18 0.00 0.00 39.33 40.54 2fap h ASP 79 CO -0.00 0.51 0.14 -1.22 -3.12 0.00 0.00 179.24 175.55 2fap n TYR 80 N -4.34 2.22 0.00 4.55 4.02 0.64 -4.81 117.16 119.44 2fap n TYR 80 Ca 0.02 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 56.92 2fap n TYR 80 Cb 0.19 -0.60 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 2fap n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2fap n ALA 81 N 0.15 0.00 0.18 -0.72 0.00 -0.91 -0.71 120.51 118.49 2fap n ALA 81 Ca 0.34 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.82 2fap n ALA 81 Cb 1.28 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.79 2fap n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2fap n TYR 82 N 0.00 0.10 -4.79 0.00 4.01 -1.14 -4.83 117.16 110.52 2fap n TYR 82 Ca 0.00 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2fap n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2fap n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2fap n GLY 83 N 0.35 0.64 0.15 2.72 0.00 0.40 -0.57 105.19 108.88 2fap n GLY 83 Ca 0.06 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.26 2fap n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fap h ALA 84 N -0.79 0.91 0.13 4.61 0.00 -1.95 -0.76 119.26 121.42 2fap h ALA 84 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2fap h ALA 84 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2fap h ALA 84 CO 0.00 0.74 -1.23 1.79 0.00 0.00 0.00 179.25 180.55 2fap h THR 85 N 0.10 1.42 0.00 0.00 1.35 -1.93 -3.36 112.91 110.48 2fap h THR 85 Ca -0.01 -2.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 2fap h THR 85 Cb 1.10 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.36 2fap h THR 85 CO 0.09 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 2fap n GLY 86 N 1.44 1.37 2.70 5.82 0.00 0.26 -4.43 105.19 112.34 2fap n GLY 86 Ca -0.10 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 2fap n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2fap s HIS 87 N 0.00 0.90 -0.01 1.61 2.46 0.12 -4.86 115.29 115.51 2fap s HIS 87 Ca 0.00 -0.86 -0.33 0.00 0.47 0.00 0.00 55.06 54.33 2fap s HIS 87 Cb 0.00 -1.03 -0.11 0.00 -0.13 0.00 0.00 32.58 31.30 2fap s HIS 87 CO 0.00 -0.64 1.85 -2.30 -2.47 0.00 0.00 174.74 171.18 2fap n PRO 88 N 5.08 2.35 0.00 2.88 -0.02 -1.26 -0.63 135.00 143.40 2fap n PRO 88 Ca -0.08 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2fap n PRO 88 Cb 0.46 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2fap n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fap n GLY 89 N 4.27 1.69 1.24 -1.23 0.00 -1.26 -4.80 105.19 105.11 2fap n GLY 89 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2fap n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fap n ILE 90 N -2.00 0.64 -4.08 -0.61 5.41 0.19 -5.04 119.36 113.87 2fap n ILE 90 Ca 0.00 0.21 -0.35 0.00 1.00 0.00 0.00 62.75 63.61 2fap n ILE 90 Cb 0.00 -1.16 -0.13 0.00 -0.71 0.00 0.00 39.64 37.64 2fap n ILE 90 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2fap s ILE 91 N -1.66 3.68 0.99 1.39 -1.09 -0.13 -4.98 121.20 119.40 2fap s ILE 91 Ca 0.00 -0.40 -0.12 0.00 -2.23 0.00 0.00 60.65 57.90 2fap s ILE 91 Cb 0.00 -2.66 0.18 0.00 -1.58 0.00 0.00 42.46 38.40 2fap s ILE 91 CO 0.00 0.43 1.08 -2.16 -1.23 0.00 0.00 174.94 173.07 2fap s PRO 92 N 1.11 0.52 0.45 2.79 0.04 -1.26 -0.70 135.00 137.95 2fap s PRO 92 Ca 0.02 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 61.73 2fap s PRO 92 Cb -0.15 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.60 2fap s PRO 92 CO 0.00 -2.78 1.36 -2.14 0.04 0.00 0.00 177.00 173.49 2fap s PRO 93 N -4.76 3.71 -1.59 0.56 0.02 -1.26 -3.53 135.00 128.15 2fap s PRO 93 Ca 0.66 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.92 2fap s PRO 93 Cb -0.21 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.70 2fap s PRO 93 CO 0.59 -0.74 0.11 0.72 -0.33 0.00 0.00 177.00 177.35 2fap n HIS 94 N -0.22 -1.27 -2.82 6.54 8.25 -0.30 -4.94 115.22 120.47 2fap n HIS 94 Ca 0.05 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2fap n HIS 94 Cb 0.43 -3.78 -0.03 0.00 1.12 0.00 0.00 29.99 27.72 2fap n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2fap s ALA 95 N -2.98 3.39 0.01 -1.41 0.00 -1.23 -4.70 121.76 114.85 2fap s ALA 95 Ca 0.06 0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 2fap s ALA 95 Cb -0.03 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 2fap s ALA 95 CO 0.08 -0.48 1.12 0.99 0.00 0.00 0.00 175.76 177.47 2fap s THR 96 N 1.70 4.38 0.11 0.00 2.01 -1.26 -3.53 115.64 119.05 2fap s THR 96 Ca 0.44 1.71 0.05 0.00 0.31 0.00 0.00 61.69 64.20 2fap s THR 96 Cb -0.18 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2fap s THR 96 CO 0.18 0.10 0.02 -0.76 -0.69 0.00 0.00 174.62 173.47 2fap s LEU 97 N 1.29 3.48 -0.14 4.42 1.43 -0.15 -3.22 118.68 125.80 2fap s LEU 97 Ca 0.55 -0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2fap s LEU 97 Cb -0.25 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.81 2fap s LEU 97 CO 0.27 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 176.22 2fap s VAL 98 N -1.43 1.20 -0.15 -1.59 1.01 -0.16 -0.33 120.40 118.96 2fap s VAL 98 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 2fap s VAL 98 Cb -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2fap s VAL 98 CO 0.19 0.33 -0.11 -0.36 0.00 0.00 0.00 175.10 175.15 2fap s PHE 99 N 1.62 2.86 -0.49 5.22 0.08 0.07 -0.67 117.98 126.68 2fap s PHE 99 Ca 0.04 -0.68 -0.22 0.00 0.12 0.00 0.00 56.93 56.19 2fap s PHE 99 Cb -0.13 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2fap s PHE 99 CO -0.09 -0.27 0.75 0.34 -0.10 0.00 0.00 175.22 175.85 2fap s ASP 100 N 0.58 6.32 -0.05 1.36 -1.08 0.11 -0.22 116.67 123.68 2fap s ASP 100 Ca -0.07 -0.46 0.02 0.00 -0.52 0.00 0.00 52.55 51.52 2fap s ASP 100 Cb -0.15 -2.36 0.01 0.00 -1.46 0.00 0.00 42.92 38.97 2fap s ASP 100 CO 0.03 -0.96 -0.10 0.54 0.52 0.00 0.00 175.17 175.21 2fap s VAL 101 N 3.16 0.91 -0.19 1.11 0.11 -0.77 -0.81 120.40 123.93 2fap s VAL 101 Ca 0.24 -0.36 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 2fap s VAL 101 Cb -0.15 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2fap s VAL 101 CO 0.18 0.30 -0.09 -0.70 -3.33 0.00 0.00 175.10 171.46 2fap s GLU 102 N 0.66 3.32 -0.74 1.54 2.12 0.11 -1.21 118.70 124.50 2fap s GLU 102 Ca -0.12 -0.67 -0.25 0.00 0.36 0.00 0.00 54.97 54.29 2fap s GLU 102 Cb -0.14 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.45 2fap s GLU 102 CO 0.02 -0.10 1.18 -1.17 -0.54 0.00 0.00 175.26 174.66 2fap s LEU 103 N 1.16 3.65 -0.03 2.70 2.96 -0.53 -1.54 118.68 127.06 2fap s LEU 103 Ca 0.02 -0.75 -0.24 0.00 -0.22 0.00 0.00 54.13 52.93 2fap s LEU 103 Cb -0.14 -2.51 -0.21 0.00 0.50 0.00 0.00 46.19 43.83 2fap s LEU 103 CO -0.03 -1.66 1.13 -0.07 -1.32 0.00 0.00 176.35 174.41 2fap h LEU 104 N 12.37 0.19 -7.41 -0.68 3.38 -0.98 0.51 115.31 122.70 2fap h LEU 104 Ca -0.24 -0.66 0.09 0.00 0.09 0.00 0.00 57.88 57.17 2fap h LEU 104 Cb 1.05 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 2fap h LEU 104 CO 1.25 0.82 0.37 -1.59 0.09 0.00 0.00 178.44 179.39 2fap s LYS 105 N -3.58 1.24 -0.08 1.13 -2.85 -1.14 -4.47 119.74 109.98 2fap s LYS 105 Ca -0.16 -0.59 0.01 0.00 -1.00 0.00 0.00 55.97 54.23 2fap s LYS 105 Cb 0.02 0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 2fap s LYS 105 CO 0.73 -0.56 -0.09 -0.51 0.10 0.00 0.00 175.35 175.02 2fap s LEU 106 N -2.77 3.05 0.00 2.77 1.02 -1.26 -1.27 118.68 120.21 2fap s LEU 106 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 54.13 54.13 2fap s LEU 106 Cb -0.02 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.52 2fap s LEU 106 CO -0.03 0.32 0.17 -0.62 0.02 0.00 0.00 176.35 176.21