#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fap s VAL 2 N 0.00 0.91 -0.22 1.61 0.11 -1.26 -2.67 120.40 118.88 1fap s VAL 2 Ca 0.00 -0.34 -0.06 0.00 -2.93 0.00 0.00 61.98 58.65 1fap s VAL 2 Cb 0.00 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1fap s VAL 2 CO 0.00 0.31 0.03 -1.58 -3.33 0.00 0.00 175.10 170.53 1fap s GLN 3 N 0.79 3.62 -0.20 1.54 2.00 0.74 -4.94 119.66 123.21 1fap s GLN 3 Ca -0.13 -0.51 -0.06 0.00 -2.00 0.00 0.00 55.36 52.67 1fap s GLN 3 Cb -0.15 -3.19 -0.03 0.00 0.80 0.00 0.00 33.01 30.44 1fap s GLN 3 CO 0.02 -0.10 0.02 0.08 -0.50 0.00 0.00 175.29 174.82 1fap s VAL 4 N 1.32 4.19 -0.16 1.34 1.01 -1.26 -0.43 120.40 126.42 1fap s VAL 4 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1fap s VAL 4 Cb -0.15 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.38 1fap s VAL 4 CO 0.02 0.42 -0.03 -1.61 0.00 0.00 0.00 175.10 173.90 1fap s GLU 5 N 0.92 1.20 0.12 2.72 2.02 -0.33 -4.98 118.70 120.38 1fap s GLU 5 Ca 0.02 -0.41 -0.34 0.00 0.02 0.00 0.00 54.97 54.26 1fap s GLU 5 Cb -0.14 -1.87 -0.14 0.00 0.10 0.00 0.00 34.13 32.08 1fap s GLU 5 CO 0.02 -0.44 1.59 2.41 0.02 0.00 0.00 175.26 178.86 1fap n THR 6 N 4.94 0.07 -0.07 3.63 -1.04 -1.26 -2.12 114.28 118.43 1fap n THR 6 Ca -0.11 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.81 1fap n THR 6 Cb 0.48 -1.50 -0.15 0.00 -1.82 0.00 0.00 70.33 67.34 1fap n THR 6 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1fap n ILE 7 N 3.55 1.37 -3.52 12.58 5.41 0.60 -4.87 119.36 134.47 1fap n ILE 7 Ca 0.18 -0.82 -0.00 0.00 1.00 0.00 0.00 62.75 63.10 1fap n ILE 7 Cb 0.28 -0.59 -0.05 0.00 -0.71 0.00 0.00 39.64 38.57 1fap n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fap s SER 8 N -5.60 -0.71 0.49 4.38 0.15 -0.58 -4.93 113.70 106.89 1fap s SER 8 Ca -0.08 1.02 -0.18 0.00 0.70 0.00 0.00 55.95 57.41 1fap s SER 8 Cb 0.07 1.68 -0.09 0.00 -1.71 0.00 0.00 66.02 65.98 1fap s SER 8 CO 0.83 -0.15 0.98 -2.16 1.20 0.00 0.00 173.24 173.94 1fap s PRO 9 N 2.26 4.01 0.00 5.44 0.04 -1.26 0.66 135.00 146.15 1fap s PRO 9 Ca -0.05 1.00 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1fap s PRO 9 Cb -0.07 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1fap s PRO 9 CO -0.17 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1fap n GLY 10 N -1.32 2.95 0.26 0.56 0.00 -1.26 -4.36 105.19 102.01 1fap n GLY 10 Ca 0.07 -2.05 0.15 0.00 0.00 0.00 0.00 46.02 44.18 1fap n GLY 10 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1fap h ASP 11 N 0.00 0.00 -0.75 1.61 3.04 -1.85 -3.47 116.42 115.00 1fap h ASP 11 Ca 0.00 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.60 1fap h ASP 11 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1fap h ASP 11 CO 0.00 0.04 -0.19 0.61 -2.04 0.00 0.00 179.24 177.66 1fap n GLY 12 N 0.28 0.70 0.00 7.15 0.00 -1.26 -4.75 105.19 107.31 1fap n GLY 12 Ca 0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1fap n GLY 12 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fap n ARG 13 N -2.43 1.44 -2.82 1.61 1.85 -1.26 -4.98 116.66 110.06 1fap n ARG 13 Ca -0.10 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.32 1fap n ARG 13 Cb 0.40 -0.47 -0.01 0.00 -1.05 0.00 0.00 32.46 31.34 1fap n ARG 13 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1fap s THR 14 N -0.74 4.68 0.25 8.89 2.01 -1.26 -5.00 115.64 124.47 1fap s THR 14 Ca 0.00 -2.19 -0.09 0.00 0.31 0.00 0.00 61.69 59.72 1fap s THR 14 Cb 0.00 -4.98 -0.07 0.00 0.01 0.00 0.00 72.50 67.46 1fap s THR 14 CO 0.00 -1.74 0.57 -0.36 -0.69 0.00 0.00 174.62 172.40 1fap s PHE 15 N 2.65 3.43 -0.51 4.92 0.40 -1.26 -1.26 117.98 126.35 1fap s PHE 15 Ca 0.45 0.85 -0.28 0.00 -0.60 0.00 0.00 56.93 57.36 1fap s PHE 15 Cb -0.01 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.26 1fap s PHE 15 CO 0.00 0.23 1.67 -1.25 0.70 0.00 0.00 175.22 176.57 1fap s PRO 16 N -3.00 3.09 0.30 0.24 0.05 -1.26 -4.98 135.00 129.45 1fap s PRO 16 Ca 0.47 0.79 -0.29 0.00 0.05 0.00 0.00 61.00 62.02 1fap s PRO 16 Cb -0.11 -4.23 -0.10 0.00 0.05 0.00 0.00 34.50 30.11 1fap s PRO 16 CO 0.23 -2.18 1.41 0.15 0.05 0.00 0.00 177.00 176.67 1fap s LYS 17 N 6.05 4.26 -0.36 4.56 3.01 -1.26 -4.89 119.74 131.11 1fap s LYS 17 Ca 0.65 2.34 -0.43 0.00 -1.01 0.00 0.00 55.97 57.52 1fap s LYS 17 Cb -0.15 -3.07 -0.18 0.00 -1.01 0.00 0.00 37.83 33.43 1fap s LYS 17 CO 0.26 -0.37 1.63 -2.13 0.51 0.00 0.00 175.35 175.25 1fap n ARG 18 N 1.47 0.56 0.00 1.68 0.63 -1.26 -1.78 116.66 117.96 1fap n ARG 18 Ca 0.04 0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1fap n ARG 18 Cb 0.40 -1.79 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1fap n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fap n GLY 19 N 3.93 0.78 3.94 5.14 0.00 -0.19 -5.02 105.19 113.77 1fap n GLY 19 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1fap n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fap s GLN 20 N -0.84 2.99 -0.40 1.61 -0.21 -0.73 -4.80 119.66 117.27 1fap s GLN 20 Ca 0.00 -0.31 -0.18 0.00 0.02 0.00 0.00 55.36 54.90 1fap s GLN 20 Cb 0.00 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.58 1fap s GLN 20 CO 0.00 -0.46 0.48 0.99 -2.12 0.00 0.00 175.29 174.17 1fap s THR 21 N -2.74 5.04 -0.35 -0.19 2.01 -1.18 -1.35 115.64 116.88 1fap s THR 21 Ca 0.51 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.12 1fap s THR 21 Cb -0.10 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.39 1fap s THR 21 CO 0.41 -0.39 1.01 0.00 -0.69 0.00 0.00 174.62 174.96 1fap s VAL 23 N 3.62 5.05 0.04 0.00 1.01 -0.52 -2.00 120.40 127.61 1fap s VAL 23 Ca 0.42 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1fap s VAL 23 Cb -0.12 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 1fap s VAL 23 CO 0.18 0.11 -0.04 0.68 0.00 0.00 0.00 175.10 176.02 1fap s VAL 24 N 2.05 0.29 -0.16 2.92 -7.23 0.01 -1.33 120.40 116.95 1fap s VAL 24 Ca 0.25 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1fap s VAL 24 Cb -0.16 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 1fap s VAL 24 CO 0.09 -0.68 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.12 1fap s HIS 25 N -2.47 2.91 0.07 2.82 3.76 -0.60 -0.73 115.29 121.04 1fap s HIS 25 Ca -0.04 -0.64 0.04 0.00 -0.15 0.00 0.00 55.06 54.26 1fap s HIS 25 Cb -0.03 -1.94 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 1fap s HIS 25 CO -0.04 -0.26 -0.11 1.52 -0.85 0.00 0.00 174.74 175.00 1fap s TYR 26 N 0.66 0.97 -0.15 1.40 1.13 -1.26 -0.33 117.35 119.77 1fap s TYR 26 Ca -0.05 -0.52 0.02 0.00 -1.41 0.00 0.00 57.07 55.11 1fap s TYR 26 Cb -0.15 -0.55 0.01 0.00 -1.10 0.00 0.00 41.96 40.17 1fap s TYR 26 CO 0.02 -0.01 -0.20 0.99 -2.51 0.00 0.00 175.55 173.84 1fap s THR 27 N -1.59 1.98 -0.12 -3.49 2.01 -0.34 -0.94 115.64 113.16 1fap s THR 27 Ca -0.03 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 60.98 1fap s THR 27 Cb -0.08 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1fap s THR 27 CO 0.01 0.53 0.11 -0.83 -0.69 0.00 0.00 174.62 173.75 1fap s GLY 28 N 0.97 2.09 0.03 4.40 0.00 0.27 -0.46 107.32 114.60 1fap s GLY 28 Ca -0.04 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1fap s GLY 28 CO -0.05 -0.37 0.05 -3.16 0.00 0.00 0.00 173.10 169.57 1fap s MET 29 N -0.88 0.48 0.79 2.90 0.23 0.29 -1.06 119.30 122.04 1fap s MET 29 Ca 0.14 -0.67 -0.11 0.00 -1.03 0.00 0.00 55.69 54.01 1fap s MET 29 Cb -0.12 0.18 0.06 0.00 -1.53 0.00 0.00 34.83 33.43 1fap s MET 29 CO 0.03 -0.11 1.08 -0.51 -2.03 0.00 0.00 175.02 173.49 1fap s LEU 30 N -1.83 2.78 0.35 0.18 1.43 0.08 -0.70 118.68 120.98 1fap s LEU 30 Ca -0.10 1.57 0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1fap s LEU 30 Cb -0.05 -4.23 1.18 0.00 0.03 0.00 0.00 46.19 43.12 1fap s LEU 30 CO -0.03 -2.00 1.58 -0.08 0.23 0.00 0.00 176.35 176.05 1fap h GLU 31 N -1.11 0.00 0.00 1.70 4.81 -1.82 0.35 114.58 118.52 1fap h GLU 31 Ca -0.46 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1fap h GLU 31 Cb 1.25 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1fap h GLU 31 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.44 1fap n ASP 32 N -5.33 0.00 0.00 1.04 5.68 -1.26 -4.82 116.55 111.87 1fap n ASP 32 Ca 0.34 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.38 1fap n ASP 32 Cb 1.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 1fap n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fap n GLY 33 N 0.63 0.72 3.56 6.12 0.00 0.12 -5.01 105.19 111.34 1fap n GLY 33 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1fap n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fap s LYS 34 N -0.60 2.68 0.23 1.61 2.20 -1.22 -4.81 119.74 119.83 1fap s LYS 34 Ca 0.00 1.07 -0.32 0.00 -0.36 0.00 0.00 55.97 56.36 1fap s LYS 34 Cb 0.00 -4.39 -0.13 0.00 -1.51 0.00 0.00 37.83 31.80 1fap s LYS 34 CO 0.00 -2.64 1.58 1.17 -0.36 0.00 0.00 175.35 175.10 1fap n LYS 35 N 8.95 2.42 -0.02 4.03 4.81 -1.26 -0.74 118.16 136.36 1fap n LYS 35 Ca 0.25 0.87 -0.01 0.00 -0.87 0.00 0.00 58.31 58.55 1fap n LYS 35 Cb 0.51 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 1fap n LYS 35 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 1fap n PHE 36 N 2.87 0.00 -3.64 5.64 1.16 -0.22 -4.91 117.46 118.35 1fap n PHE 36 Ca 0.13 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.61 1fap n PHE 36 Cb 0.33 -0.16 -0.07 0.00 -1.61 0.00 0.00 39.48 37.96 1fap n PHE 36 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1fap s ASP 37 N -3.34 -0.82 -0.10 5.98 2.15 -1.15 -5.03 116.67 114.36 1fap s ASP 37 Ca -0.02 1.42 -0.06 0.00 0.43 0.00 0.00 52.55 54.32 1fap s ASP 37 Cb 0.01 1.36 0.04 0.00 -0.30 0.00 0.00 42.92 44.03 1fap s ASP 37 CO 0.14 -0.24 0.25 -0.55 -0.17 0.00 0.00 175.17 174.60 1fap s SER 38 N 1.05 -0.26 0.50 -0.34 0.15 -1.26 0.94 113.70 114.48 1fap s SER 38 Ca -0.05 0.52 0.29 0.00 0.70 0.00 0.00 55.95 57.40 1fap s SER 38 Cb -0.05 0.43 1.14 0.00 -1.71 0.00 0.00 66.02 65.84 1fap s SER 38 CO -0.10 -0.14 1.91 0.77 1.20 0.00 0.00 173.24 176.87 1fap h SER 39 N 6.79 0.00 0.99 5.45 4.64 -1.32 -2.75 113.55 127.35 1fap h SER 39 Ca -0.36 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 1fap h SER 39 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1fap h SER 39 CO 0.37 0.09 -0.33 0.03 -0.87 0.00 0.00 176.83 176.12 1fap h ARG 40 N 0.00 0.00 -0.11 4.77 3.08 -1.81 -0.37 114.38 119.93 1fap h ARG 40 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1fap h ARG 40 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1fap h ARG 40 CO 0.01 0.33 -0.53 -0.44 -1.07 0.00 0.00 179.97 178.27 1fap h ASP 41 N 0.00 0.35 1.34 7.04 3.32 -1.83 -2.89 116.42 123.74 1fap h ASP 41 Ca -0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1fap h ASP 41 Cb 0.91 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1fap h ASP 41 CO 0.04 0.82 -0.33 0.03 -1.72 0.00 0.00 179.24 178.08 1fap h ARG 42 N 0.25 0.00 -4.10 3.56 3.08 -1.60 -3.48 114.38 112.08 1fap h ARG 42 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 1fap h ARG 42 Cb 1.02 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.17 1fap h ARG 42 CO 0.09 0.00 -0.45 -1.71 -1.07 0.00 0.00 179.97 176.83 1fap n ASN 43 N -2.46 -2.66 -3.25 7.04 2.85 -0.24 -5.01 115.26 111.53 1fap n ASN 43 Ca 0.04 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1fap n ASN 43 Cb 0.47 -3.25 -0.03 0.00 1.24 0.00 0.00 39.78 38.22 1fap n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1fap s LYS 44 N -5.05 0.51 0.42 1.20 2.20 -0.68 -5.03 119.74 113.32 1fap s LYS 44 Ca 0.09 0.94 -0.25 0.00 -0.36 0.00 0.00 55.97 56.39 1fap s LYS 44 Cb -0.04 0.34 -0.08 0.00 -1.51 0.00 0.00 37.83 36.55 1fap s LYS 44 CO 0.43 -0.58 1.26 -2.14 -0.36 0.00 0.00 175.35 173.96 1fap s PRO 45 N 2.79 3.89 0.04 4.03 0.02 -1.26 -4.60 135.00 139.90 1fap s PRO 45 Ca 0.16 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 1fap s PRO 45 Cb -0.15 -2.65 -0.06 0.00 0.02 0.00 0.00 34.50 31.66 1fap s PRO 45 CO -0.19 -0.52 0.52 0.12 -0.33 0.00 0.00 177.00 176.60 1fap s PHE 46 N -1.34 3.77 -0.02 6.54 5.36 0.09 -4.88 117.98 127.50 1fap s PHE 46 Ca 0.59 1.17 0.06 0.00 -0.96 0.00 0.00 56.93 57.79 1fap s PHE 46 Cb -0.35 -2.45 -0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1fap s PHE 46 CO 0.44 0.57 -0.19 0.15 -1.46 0.00 0.00 175.22 174.74 1fap s LYS 47 N -0.97 1.67 -0.01 10.12 1.02 -1.26 -0.81 119.74 129.50 1fap s LYS 47 Ca 0.27 -0.68 -0.21 0.00 0.02 0.00 0.00 55.97 55.37 1fap s LYS 47 Cb -0.18 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.61 1fap s LYS 47 CO 0.17 0.38 0.46 -0.59 -0.92 0.00 0.00 175.35 174.85 1fap s PHE 48 N -0.32 -0.37 -0.04 3.18 -0.71 -0.85 -4.99 117.98 113.88 1fap s PHE 48 Ca 0.04 0.57 -0.21 0.00 -1.04 0.00 0.00 56.93 56.29 1fap s PHE 48 Cb -0.09 0.23 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 1fap s PHE 48 CO 0.00 -0.51 0.61 1.41 -1.34 0.00 0.00 175.22 175.40 1fap s MET 49 N -1.50 4.36 -0.27 1.99 -2.45 -1.26 -0.68 119.30 119.49 1fap s MET 49 Ca -0.11 0.74 -0.23 0.00 -1.25 0.00 0.00 55.69 54.83 1fap s MET 49 Cb -0.03 -3.39 -0.01 0.00 1.25 0.00 0.00 34.83 32.66 1fap s MET 49 CO 0.05 0.23 0.77 -1.17 1.05 0.00 0.00 175.02 175.95 1fap s LEU 50 N 0.26 4.08 0.00 4.11 2.96 -0.45 -3.86 118.68 125.78 1fap s LEU 50 Ca 0.32 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1fap s LEU 50 Cb -0.18 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.45 1fap s LEU 50 CO 0.16 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 1fap n GLY 51 N 4.03 1.60 1.10 7.98 0.00 -1.26 -1.02 105.19 117.62 1fap n GLY 51 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 1fap n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fap n LYS 52 N 0.00 1.35 -3.70 1.61 4.76 -1.25 -4.79 118.16 116.14 1fap n LYS 52 Ca 0.00 -0.54 -0.25 0.00 -2.87 0.00 0.00 58.31 54.64 1fap n LYS 52 Cb 0.00 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 1fap n LYS 52 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1fap n GLN 53 N 0.18 -1.77 0.11 1.97 3.00 -1.26 -4.83 117.38 114.79 1fap n GLN 53 Ca 0.09 0.11 -0.02 0.00 -0.01 0.00 0.00 57.00 57.17 1fap n GLN 53 Cb 0.63 -4.67 0.05 0.00 0.00 0.00 0.00 30.24 26.25 1fap n GLN 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1fap h GLU 54 N -0.56 0.00 -5.36 -1.09 5.08 -1.87 -3.46 114.58 107.33 1fap h GLU 54 Ca -0.36 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.43 1fap h GLU 54 Cb 1.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1fap h GLU 54 CO 0.54 0.72 -0.58 0.14 -1.00 0.00 0.00 179.01 178.82 1fap s VAL 55 N -3.13 1.41 0.80 3.13 -7.23 -1.26 -5.10 120.40 109.01 1fap s VAL 55 Ca 0.01 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 1fap s VAL 55 Cb 0.10 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.38 1fap s VAL 55 CO 0.77 0.00 1.18 0.27 -0.31 0.00 0.00 175.10 177.02 1fap s ILE 56 N -3.03 2.24 0.18 -0.62 -4.36 -1.26 -4.72 121.20 109.63 1fap s ILE 56 Ca 0.31 0.10 -0.12 0.00 -0.26 0.00 0.00 60.65 60.68 1fap s ILE 56 Cb 0.08 -2.48 0.10 0.00 1.25 0.00 0.00 42.46 41.41 1fap s ILE 56 CO 0.15 -0.08 1.79 -0.09 0.24 0.00 0.00 174.94 176.95 1fap h ARG 57 N -0.93 0.89 -0.46 0.37 2.43 -1.86 -1.61 114.38 113.21 1fap h ARG 57 Ca -0.46 -0.11 0.13 0.00 -0.81 0.00 0.00 59.98 58.74 1fap h ARG 57 Cb 1.28 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1fap h ARG 57 CO 0.47 0.68 0.34 0.78 -1.51 0.00 0.00 179.97 180.73 1fap h GLY 58 N 0.86 0.00 0.90 2.80 0.00 -1.26 -0.23 103.07 106.14 1fap h GLY 58 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.38 1fap h GLY 58 CO -0.03 0.00 -0.66 1.49 0.00 0.00 0.00 176.54 177.34 1fap h TRP 59 N 0.00 0.73 -0.07 5.60 4.06 -1.58 0.16 115.95 124.84 1fap h TRP 59 Ca 0.22 -0.37 0.02 0.00 2.06 0.00 0.00 58.89 60.81 1fap h TRP 59 Cb 0.90 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 1fap h TRP 59 CO 0.00 1.18 -0.03 1.49 -3.56 0.00 0.00 178.44 177.52 1fap h GLU 60 N 0.07 -0.03 0.06 0.49 4.57 -0.43 -0.90 114.58 118.42 1fap h GLU 60 Ca -0.07 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.86 1fap h GLU 60 Cb 1.34 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1fap h GLU 60 CO 0.13 -0.02 -1.23 0.93 -1.18 0.00 0.00 179.01 177.65 1fap h GLU 61 N -0.03 0.13 0.83 1.92 5.08 -1.20 -3.01 114.58 118.29 1fap h GLU 61 Ca 0.04 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 1fap h GLU 61 Cb 0.09 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1fap h GLU 61 CO -0.09 1.05 -0.40 0.78 -1.00 0.00 0.00 179.01 179.35 1fap h GLY 62 N 2.37 -1.16 1.84 -3.84 0.00 -0.66 -3.19 103.07 98.44 1fap h GLY 62 Ca -0.11 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 1fap h GLY 62 CO 0.15 -0.42 -0.09 -2.08 0.00 0.00 0.00 176.54 174.10 1fap h VAL 63 N -1.28 1.14 -0.01 4.60 2.07 -1.30 -0.03 116.25 121.45 1fap h VAL 63 Ca -0.11 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1fap h VAL 63 Cb 0.85 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1fap h VAL 63 CO 0.19 0.19 0.01 0.00 0.02 0.00 0.00 177.57 177.98 1fap h ALA 64 N 1.72 1.31 0.00 1.67 0.00 -1.59 -0.45 119.26 121.93 1fap h ALA 64 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fap h ALA 64 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1fap h ALA 64 CO 0.01 -0.02 -0.22 1.04 0.00 0.00 0.00 179.25 180.07 1fap n GLN 65 N -3.51 0.26 -3.27 0.00 6.02 -0.03 -4.63 117.38 112.22 1fap n GLN 65 Ca -0.03 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.81 1fap n GLN 65 Cb 0.09 -1.75 -0.05 0.00 1.02 0.00 0.00 30.24 29.55 1fap n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1fap s MET 66 N -3.12 3.81 0.24 -1.09 -1.94 -0.18 -5.07 119.30 111.95 1fap s MET 66 Ca 0.09 0.34 0.10 0.00 -1.71 0.00 0.00 55.69 54.51 1fap s MET 66 Cb 0.13 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 1fap s MET 66 CO 0.64 0.22 -0.06 -1.54 -0.01 0.00 0.00 175.02 174.26 1fap s SER 67 N -2.59 4.32 0.11 3.03 1.04 -1.26 -4.08 113.70 114.28 1fap s SER 67 Ca 0.49 -0.67 -0.32 0.00 0.48 0.00 0.00 55.95 55.93 1fap s SER 67 Cb -0.11 -0.73 -0.11 0.00 0.10 0.00 0.00 66.02 65.17 1fap s SER 67 CO 0.23 0.04 1.81 0.52 0.98 0.00 0.00 173.24 176.83 1fap n VAL 68 N -0.55 0.33 0.00 5.02 0.31 -0.39 -1.49 118.33 121.57 1fap n VAL 68 Ca -0.08 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1fap n VAL 68 Cb 0.58 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1fap n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fap n GLY 69 N 4.16 2.10 3.75 2.92 0.00 -0.64 -3.47 105.19 114.01 1fap n GLY 69 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1fap n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fap s GLN 70 N -0.18 4.57 -0.12 1.61 0.74 -0.55 -4.53 119.66 121.19 1fap s GLN 70 Ca 0.00 1.83 -0.01 0.00 0.05 0.00 0.00 55.36 57.23 1fap s GLN 70 Cb 0.00 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.87 1fap s GLN 70 CO 0.00 0.07 -0.09 0.50 -0.55 0.00 0.00 175.29 175.22 1fap s ARG 71 N -0.87 3.33 0.04 1.67 3.52 0.21 -2.09 118.95 124.76 1fap s ARG 71 Ca 0.48 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 55.44 1fap s ARG 71 Cb -0.32 -2.71 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1fap s ARG 71 CO 0.39 0.33 0.05 0.00 -0.81 0.00 0.00 175.30 175.26 1fap s ALA 72 N 0.09 0.12 -0.23 6.12 0.00 -0.44 -0.29 121.76 127.12 1fap s ALA 72 Ca -0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1fap s ALA 72 Cb -0.14 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1fap s ALA 72 CO 0.04 -0.33 0.02 0.21 0.00 0.00 0.00 175.76 175.69 1fap s LYS 73 N -2.99 3.55 -0.27 0.00 2.20 -0.90 -1.16 119.74 120.16 1fap s LYS 73 Ca -0.02 -0.54 -0.10 0.00 -0.36 0.00 0.00 55.97 54.96 1fap s LYS 73 Cb 0.01 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 1fap s LYS 73 CO -0.06 -0.15 0.15 -0.51 -0.36 0.00 0.00 175.35 174.41 1fap s LEU 74 N 1.45 3.86 -0.43 5.43 1.02 0.16 -1.18 118.68 128.98 1fap s LEU 74 Ca 0.05 -0.13 -0.15 0.00 0.02 0.00 0.00 54.13 53.93 1fap s LEU 74 Cb -0.15 -2.05 0.04 0.00 0.02 0.00 0.00 46.19 44.06 1fap s LEU 74 CO 0.01 -0.06 0.32 -0.89 0.02 0.00 0.00 176.35 175.75 1fap s THR 75 N 1.70 5.14 -0.29 5.49 2.01 0.43 -0.41 115.64 129.71 1fap s THR 75 Ca 0.07 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 1fap s THR 75 Cb -0.16 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.42 1fap s THR 75 CO 0.08 -0.41 0.06 -0.63 -0.69 0.00 0.00 174.62 173.04 1fap s ILE 76 N 1.64 3.75 0.44 1.82 1.01 -0.03 -0.19 121.20 129.65 1fap s ILE 76 Ca 0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 1fap s ILE 76 Cb -0.21 -2.96 -0.08 0.00 0.01 0.00 0.00 42.46 39.21 1fap s ILE 76 CO 0.08 0.06 1.08 -0.94 0.00 0.00 0.00 174.94 175.22 1fap s SER 77 N 1.45 6.46 0.50 3.58 1.04 -1.09 -1.68 113.70 123.96 1fap s SER 77 Ca 0.01 2.08 0.31 0.00 0.48 0.00 0.00 55.95 58.84 1fap s SER 77 Cb -0.17 -2.58 1.42 0.00 0.10 0.00 0.00 66.02 64.78 1fap s SER 77 CO 0.01 -0.70 1.78 1.55 0.98 0.00 0.00 173.24 176.86 1fap h PRO 78 N 2.10 0.12 -0.29 4.02 0.13 -1.75 0.27 132.00 136.59 1fap h PRO 78 Ca -0.49 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 1fap h PRO 78 Cb 1.23 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1fap h PRO 78 CO 0.61 0.08 -0.11 -0.44 -0.23 0.00 0.00 178.00 177.91 1fap h ASP 79 N 0.12 -0.37 -0.12 1.44 3.32 -1.91 0.42 116.42 119.32 1fap h ASP 79 Ca 0.60 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.74 1fap h ASP 79 Cb 2.09 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.86 1fap h ASP 79 CO -0.12 -0.14 0.01 -1.22 -1.72 0.00 0.00 179.24 176.05 1fap n TYR 80 N -5.28 0.43 0.00 4.55 4.02 0.94 -4.69 117.16 117.14 1fap n TYR 80 Ca -0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1fap n TYR 80 Cb 0.20 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1fap n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1fap n ALA 81 N 0.13 0.00 -0.50 -0.72 0.00 -0.39 -0.67 120.51 118.36 1fap n ALA 81 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.60 1fap n ALA 81 Cb 0.46 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.23 1fap n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1fap n TYR 82 N 0.00 1.19 -4.18 0.00 4.01 -1.19 -4.80 117.16 112.20 1fap n TYR 82 Ca 0.00 -0.57 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 1fap n TYR 82 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 38.90 1fap n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fap n GLY 83 N 1.24 0.91 0.20 2.72 0.00 0.00 -0.32 105.19 109.93 1fap n GLY 83 Ca 0.24 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1fap n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fap h ALA 84 N -0.84 1.33 0.00 4.61 0.00 -1.93 -0.22 119.26 122.21 1fap h ALA 84 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1fap h ALA 84 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fap h ALA 84 CO 0.00 0.42 -0.44 1.79 0.00 0.00 0.00 179.25 181.02 1fap h THR 85 N 0.00 0.79 0.00 0.00 1.35 -1.90 -3.35 112.91 109.79 1fap h THR 85 Ca -0.00 -2.03 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1fap h THR 85 Cb 0.64 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1fap h THR 85 CO 0.04 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 1fap n GLY 86 N 1.09 2.19 2.95 5.82 0.00 0.56 -4.60 105.19 113.20 1fap n GLY 86 Ca 0.02 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1fap n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fap s HIS 87 N 0.00 -1.08 0.08 1.61 5.04 0.92 -4.84 115.29 117.01 1fap s HIS 87 Ca 0.00 0.62 -0.31 0.00 -1.54 0.00 0.00 55.06 53.83 1fap s HIS 87 Cb 0.00 -0.02 -0.07 0.00 0.04 0.00 0.00 32.58 32.53 1fap s HIS 87 CO 0.00 -0.92 1.38 -2.14 -2.34 0.00 0.00 174.74 170.72 1fap s PRO 88 N 2.59 4.32 0.00 2.88 0.02 -1.26 -1.85 135.00 141.70 1fap s PRO 88 Ca 0.11 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1fap s PRO 88 Cb -0.13 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1fap s PRO 88 CO -0.26 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1fap n GLY 89 N 3.52 0.40 2.00 0.52 0.00 -1.26 -4.84 105.19 105.53 1fap n GLY 89 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1fap n GLY 89 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fap n ILE 90 N -1.56 0.00 -3.94 -0.61 3.06 -0.84 -5.05 119.36 110.42 1fap n ILE 90 Ca 0.00 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.90 1fap n ILE 90 Cb 0.00 -0.42 -0.14 0.00 0.54 0.00 0.00 39.64 39.62 1fap n ILE 90 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1fap s ILE 91 N -2.00 2.93 1.03 9.51 -1.09 -0.77 -5.01 121.20 125.80 1fap s ILE 91 Ca 0.00 -1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 57.15 1fap s ILE 91 Cb 0.00 -2.55 0.20 0.00 -1.58 0.00 0.00 42.46 38.53 1fap s ILE 91 CO 0.00 0.10 1.11 -2.16 -1.23 0.00 0.00 174.94 172.76 1fap s PRO 92 N 1.30 0.19 0.37 2.79 0.04 -1.26 -0.06 135.00 138.37 1fap s PRO 92 Ca -0.02 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.05 1fap s PRO 92 Cb -0.18 -1.73 -0.11 0.00 0.04 0.00 0.00 34.50 32.53 1fap s PRO 92 CO -0.03 -2.85 1.51 -2.14 0.04 0.00 0.00 177.00 173.53 1fap s PRO 93 N -5.14 4.10 0.00 0.56 0.02 -1.26 -3.32 135.00 129.95 1fap s PRO 93 Ca 0.66 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.28 1fap s PRO 93 Cb -0.16 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1fap s PRO 93 CO 0.56 -0.56 0.00 0.72 -0.33 0.00 0.00 177.00 177.39 1fap n HIS 94 N 0.62 0.00 -1.68 6.54 8.25 -0.10 -4.93 115.22 123.92 1fap n HIS 94 Ca 0.02 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.98 1fap n HIS 94 Cb 0.39 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 1fap n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fap n ALA 95 N 0.73 0.62 -2.27 -1.41 0.00 -1.21 -4.29 120.51 112.67 1fap n ALA 95 Ca 0.00 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 1fap n ALA 95 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 1fap n ALA 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fap s THR 96 N 3.35 3.88 0.06 0.00 2.01 -1.26 -3.81 115.64 119.87 1fap s THR 96 Ca 0.92 1.21 0.03 0.00 0.31 0.00 0.00 61.69 64.16 1fap s THR 96 Cb -0.79 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 1fap s THR 96 CO 0.53 -0.03 0.04 -0.76 -0.69 0.00 0.00 174.62 173.70 1fap s LEU 97 N 2.69 3.63 -0.12 4.42 1.43 -0.68 -2.44 118.68 127.61 1fap s LEU 97 Ca 0.62 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1fap s LEU 97 Cb -0.29 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1fap s LEU 97 CO 0.24 0.20 -0.21 -0.69 0.23 0.00 0.00 176.35 176.12 1fap s VAL 98 N -1.30 2.28 -0.14 -1.59 1.01 0.12 -0.85 120.40 119.94 1fap s VAL 98 Ca 0.26 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1fap s VAL 98 Cb -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1fap s VAL 98 CO 0.18 0.55 -0.14 -0.36 0.00 0.00 0.00 175.10 175.33 1fap s PHE 99 N 0.54 2.80 -0.48 5.22 0.08 0.45 -0.55 117.98 126.04 1fap s PHE 99 Ca -0.13 -0.79 -0.18 0.00 0.12 0.00 0.00 56.93 55.96 1fap s PHE 99 Cb -0.17 -1.87 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1fap s PHE 99 CO 0.04 -0.31 0.52 0.34 -0.10 0.00 0.00 175.22 175.71 1fap s ASP 100 N 0.55 6.19 -0.07 1.36 2.15 0.39 0.36 116.67 127.60 1fap s ASP 100 Ca -0.09 -1.03 0.04 0.00 0.43 0.00 0.00 52.55 51.90 1fap s ASP 100 Cb -0.16 -2.24 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1fap s ASP 100 CO 0.04 -0.77 -0.20 0.68 -0.17 0.00 0.00 175.17 174.74 1fap s VAL 101 N 2.22 1.72 -0.16 1.11 -7.23 -0.31 -1.19 120.40 116.56 1fap s VAL 101 Ca 0.11 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1fap s VAL 101 Cb -0.21 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1fap s VAL 101 CO 0.10 0.49 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.59 1fap s GLU 102 N 0.21 3.44 -0.92 4.82 2.12 0.55 -1.32 118.70 127.59 1fap s GLU 102 Ca -0.11 -0.63 -0.21 0.00 0.36 0.00 0.00 54.97 54.38 1fap s GLU 102 Cb -0.15 -2.79 0.09 0.00 0.26 0.00 0.00 34.13 31.54 1fap s GLU 102 CO 0.05 0.10 1.22 -1.17 -0.54 0.00 0.00 175.26 174.92 1fap s LEU 103 N 0.66 4.40 0.07 2.70 2.96 -0.89 -1.56 118.68 127.02 1fap s LEU 103 Ca -0.05 -1.67 -0.35 0.00 -0.22 0.00 0.00 54.13 51.85 1fap s LEU 103 Cb -0.15 -2.46 -0.19 0.00 0.50 0.00 0.00 46.19 43.88 1fap s LEU 103 CO 0.02 -1.28 1.60 -0.07 -1.32 0.00 0.00 176.35 175.30 1fap h LEU 104 N 11.40 -0.96 -7.10 -0.68 3.38 -1.53 -1.70 115.31 118.12 1fap h LEU 104 Ca 0.10 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1fap h LEU 104 Cb 1.03 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.87 1fap h LEU 104 CO 1.23 -0.66 0.12 -1.59 0.09 0.00 0.00 178.44 177.62 1fap s LYS 105 N -6.02 1.09 -0.00 1.13 -2.85 -1.16 -4.51 119.74 107.42 1fap s LYS 105 Ca -0.19 -0.13 -0.09 0.00 -1.00 0.00 0.00 55.97 54.57 1fap s LYS 105 Cb 0.03 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 1fap s LYS 105 CO 0.61 -0.40 0.29 -0.51 0.10 0.00 0.00 175.35 175.45 1fap s LEU 106 N -1.88 4.39 0.00 2.77 2.01 -1.26 -1.44 118.68 123.27 1fap s LEU 106 Ca -0.06 0.65 0.00 0.00 0.01 0.00 0.00 54.13 54.73 1fap s LEU 106 Cb -0.01 -2.60 0.00 0.00 0.01 0.00 0.00 46.19 43.59 1fap s LEU 106 CO -0.00 0.28 0.00 -1.84 1.01 0.00 0.00 176.35 175.80