#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lf5 n GLY 52 N 0.00 0.58 0.19 0.72 0.00 -1.26 -4.92 105.19 100.50 3lf5 n GLY 52 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 3lf5 n GLY 52 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lf5 h ARG 53 N 0.00 0.67 -4.87 1.61 -0.00 -1.98 -3.43 114.38 106.38 3lf5 h ARG 53 Ca -0.10 -0.70 -0.58 0.00 -0.50 0.00 0.00 59.98 58.10 3lf5 h ARG 53 Cb 0.53 0.19 -0.33 0.00 0.00 0.00 0.00 29.97 30.36 3lf5 h ARG 53 CO 0.14 1.29 -0.84 -0.51 0.00 0.00 0.00 179.97 180.04 3lf5 s LEU 54 N -8.19 1.82 0.25 3.04 1.43 -1.26 -4.73 118.68 111.04 3lf5 s LEU 54 Ca -0.10 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 3lf5 s LEU 54 Cb 0.07 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 3lf5 s LEU 54 CO 0.90 0.08 -0.10 0.27 0.23 0.00 0.00 176.35 177.74 3lf5 s ILE 55 N 0.55 1.72 0.05 -0.59 -4.36 -0.58 -4.97 121.20 113.01 3lf5 s ILE 55 Ca -0.16 -2.17 -0.26 0.00 -0.26 0.00 0.00 60.65 57.79 3lf5 s ILE 55 Cb -0.17 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 3lf5 s ILE 55 CO 0.06 -0.41 0.82 -0.70 0.24 0.00 0.00 174.94 174.95 3lf5 s GLU 56 N -3.69 4.54 -0.24 0.37 2.12 -1.26 -1.68 118.70 118.86 3lf5 s GLU 56 Ca 0.27 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 56.75 3lf5 s GLU 56 Cb 0.02 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.05 3lf5 s GLU 56 CO 0.10 0.22 -0.08 0.08 -0.54 0.00 0.00 175.26 175.05 3lf5 s VAL 57 N 0.11 2.78 0.64 3.70 1.01 0.14 -4.90 120.40 123.89 3lf5 s VAL 57 Ca 0.41 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3lf5 s VAL 57 Cb -0.21 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 3lf5 s VAL 57 CO 0.24 0.24 1.03 0.42 0.00 0.00 0.00 175.10 177.03 3lf5 s THR 58 N 1.32 4.25 0.30 3.92 -4.23 -1.26 -0.78 115.64 119.15 3lf5 s THR 58 Ca 0.01 0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3lf5 s THR 58 Cb -0.16 -3.71 0.22 0.00 1.34 0.00 0.00 72.50 70.19 3lf5 s THR 58 CO -0.05 -0.92 1.92 -0.33 -0.54 0.00 0.00 174.62 174.70 3lf5 h GLU 59 N -0.39 0.97 -0.83 3.99 5.08 -1.99 -0.26 114.58 121.14 3lf5 h GLU 59 Ca -0.45 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 57.82 3lf5 h GLU 59 Cb 1.22 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3lf5 h GLU 59 CO 0.63 0.72 0.55 1.49 -1.00 0.00 0.00 179.01 181.39 3lf5 h GLU 60 N 0.98 1.07 -0.15 2.33 4.81 -1.99 -1.56 114.58 120.06 3lf5 h GLU 60 Ca 0.25 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3lf5 h GLU 60 Cb 0.03 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3lf5 h GLU 60 CO -0.04 0.71 -0.02 1.49 -0.73 0.00 0.00 179.01 180.41 3lf5 h GLU 61 N 1.10 0.28 -0.69 1.92 4.57 -1.82 -3.20 114.58 116.74 3lf5 h GLU 61 Ca 0.32 -0.10 0.12 0.00 -1.18 0.00 0.00 59.36 58.51 3lf5 h GLU 61 Cb -0.08 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.40 3lf5 h GLU 61 CO -0.08 0.55 0.28 1.25 -1.18 0.00 0.00 179.01 179.82 3lf5 h LEU 62 N -0.00 0.28 -2.27 1.64 5.85 -0.72 -1.72 115.31 118.37 3lf5 h LEU 62 Ca 0.04 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3lf5 h LEU 62 Cb 0.43 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3lf5 h LEU 62 CO 0.01 0.14 0.06 0.11 -0.34 0.00 0.00 178.44 178.42 3lf5 h LYS 63 N 0.45 0.00 0.00 1.25 1.57 -1.29 -1.72 116.57 116.83 3lf5 h LYS 63 Ca 0.36 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3lf5 h LYS 63 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3lf5 h LYS 63 CO -0.35 0.00 -0.19 0.87 -0.57 0.00 0.00 179.45 179.21 3lf5 h LYS 64 N 0.00 0.00 -2.70 3.15 1.57 -1.34 -3.34 116.57 113.91 3lf5 h LYS 64 Ca 0.03 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 58.01 3lf5 h LYS 64 Cb 0.15 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.17 3lf5 h LYS 64 CO -0.00 0.19 0.81 0.72 -0.57 0.00 0.00 179.45 180.60 3lf5 n HIS 65 N -3.54 2.42 -1.34 -1.35 8.25 -0.65 -4.67 115.22 114.34 3lf5 n HIS 65 Ca -0.01 -2.61 0.08 0.00 -0.26 0.00 0.00 57.72 54.92 3lf5 n HIS 65 Cb 0.34 -1.21 0.14 0.00 1.12 0.00 0.00 29.99 30.37 3lf5 n HIS 65 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3lf5 n ASN 66 N 0.89 1.91 -4.45 0.41 6.94 -1.04 -1.10 115.26 118.82 3lf5 n ASN 66 Ca 0.32 -3.14 -0.27 0.00 -0.02 0.00 0.00 54.58 51.48 3lf5 n ASN 66 Cb 0.31 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 37.19 3lf5 n ASN 66 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3lf5 s LYS 67 N -2.57 1.61 0.29 -3.83 -0.14 -1.03 -4.79 119.74 109.27 3lf5 s LYS 67 Ca 0.30 -1.48 0.02 0.00 -1.36 0.00 0.00 55.97 53.45 3lf5 s LYS 67 Cb 0.28 -1.90 0.56 0.00 -1.68 0.00 0.00 37.83 35.09 3lf5 s LYS 67 CO -0.00 0.41 1.84 -0.22 -0.76 0.00 0.00 175.35 176.61 3lf5 h LYS 68 N 3.16 0.96 -0.00 1.68 3.64 -1.99 -0.43 116.57 123.59 3lf5 h LYS 68 Ca -0.46 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3lf5 h LYS 68 Cb 1.21 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3lf5 h LYS 68 CO 0.49 0.64 -0.05 -0.40 -2.27 0.00 0.00 179.45 177.85 3lf5 n ASP 69 N -4.60 0.30 -2.94 4.20 3.85 -1.26 -4.27 116.55 111.83 3lf5 n ASP 69 Ca 0.19 -0.57 -0.11 0.00 -0.71 0.00 0.00 54.79 53.58 3lf5 n ASP 69 Cb 0.35 -0.12 -0.02 0.00 -1.35 0.00 0.00 41.12 39.98 3lf5 n ASP 69 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3lf5 n ASP 70 N -1.01 -2.45 -4.05 -1.12 2.03 -0.21 -4.92 116.55 104.82 3lf5 n ASP 70 Ca 0.16 -2.83 -0.32 0.00 0.52 0.00 0.00 54.79 52.33 3lf5 n ASP 70 Cb 0.24 1.07 -0.15 0.00 -0.72 0.00 0.00 41.12 41.56 3lf5 n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lf5 s TRP 72 N 1.16 3.22 -0.01 0.00 0.52 -0.26 -0.96 118.94 122.61 3lf5 s TRP 72 Ca -0.08 0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.28 3lf5 s TRP 72 Cb -0.19 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 3lf5 s TRP 72 CO -0.06 0.52 -0.09 0.42 0.02 0.00 0.00 176.95 177.77 3lf5 s ILE 73 N -1.03 0.67 -0.20 2.03 1.01 -0.35 -0.50 121.20 122.84 3lf5 s ILE 73 Ca 0.17 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 3lf5 s ILE 73 Cb -0.12 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.74 3lf5 s ILE 73 CO 0.07 0.19 0.25 0.00 0.00 0.00 0.00 174.94 175.45 3lf5 s ILE 75 N 0.81 1.54 -1.56 0.00 -1.09 0.37 -0.16 121.20 121.12 3lf5 s ILE 75 Ca 0.13 -0.87 -0.14 0.00 -2.23 0.00 0.00 60.65 57.54 3lf5 s ILE 75 Cb -0.13 -1.60 0.10 0.00 -1.58 0.00 0.00 42.46 39.25 3lf5 s ILE 75 CO 0.04 0.22 0.96 0.54 -1.23 0.00 0.00 174.94 175.48 3lf5 n ARG 76 N 4.73 -5.24 -0.12 2.79 1.74 -1.26 -1.20 116.66 118.10 3lf5 n ARG 76 Ca -0.15 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3lf5 n ARG 76 Cb 0.47 -5.44 0.00 0.00 -1.02 0.00 0.00 32.46 26.47 3lf5 n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lf5 n GLY 77 N -1.66 1.89 3.77 -0.13 0.00 -1.26 -5.02 105.19 102.78 3lf5 n GLY 77 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3lf5 n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3lf5 s PHE 78 N -2.82 3.52 -0.17 1.61 0.08 -0.34 -1.40 117.98 118.46 3lf5 s PHE 78 Ca 0.00 0.62 -0.05 0.00 0.12 0.00 0.00 56.93 57.62 3lf5 s PHE 78 Cb 0.00 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 3lf5 s PHE 78 CO 0.00 0.39 -0.01 0.08 -0.10 0.00 0.00 175.22 175.59 3lf5 s VAL 79 N -0.03 4.14 -0.02 -0.44 1.01 -0.08 -0.48 120.40 124.50 3lf5 s VAL 79 Ca 0.16 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.95 3lf5 s VAL 79 Cb -0.13 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3lf5 s VAL 79 CO 0.05 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 3lf5 s TYR 80 N 0.45 1.99 -0.68 5.22 2.02 -0.06 -0.21 117.35 126.08 3lf5 s TYR 80 Ca -0.01 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 3lf5 s TYR 80 Cb -0.14 -1.29 0.06 0.00 -0.40 0.00 0.00 41.96 40.20 3lf5 s TYR 80 CO 0.02 -0.06 1.04 1.21 -1.57 0.00 0.00 175.55 176.20 3lf5 s ASN 81 N -0.45 6.18 0.00 2.29 3.04 -0.04 -1.21 114.94 124.74 3lf5 s ASN 81 Ca 0.07 -0.88 0.22 0.00 0.04 0.00 0.00 52.86 52.30 3lf5 s ASN 81 Cb -0.09 -2.45 0.76 0.00 -1.54 0.00 0.00 41.25 37.93 3lf5 s ASN 81 CO -0.00 -1.53 1.56 1.33 -3.04 0.00 0.00 177.10 175.41 3lf5 n VAL 82 N 6.03 0.20 -0.24 -5.21 0.24 -0.13 -4.29 118.33 114.92 3lf5 n VAL 82 Ca -0.02 -0.36 0.03 0.00 -2.04 0.00 0.00 64.34 61.95 3lf5 n VAL 82 Cb 0.46 0.43 0.12 0.00 -1.47 0.00 0.00 33.84 33.37 3lf5 n VAL 82 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3lf5 h SER 83 N 2.36 -0.46 1.09 -1.34 0.02 -1.80 -0.31 113.55 113.11 3lf5 h SER 83 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3lf5 h SER 83 Cb 0.51 0.37 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3lf5 h SER 83 CO 0.00 -0.19 0.00 1.55 -1.14 0.00 0.00 176.83 177.05 3lf5 h PRO 84 N 0.06 0.00 0.00 3.45 0.13 -1.91 -2.93 132.00 130.80 3lf5 h PRO 84 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 3lf5 h PRO 84 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3lf5 h PRO 84 CO -0.66 0.00 -0.64 -0.92 -0.23 0.00 0.00 178.00 175.55 3lf5 h TYR 85 N 0.00 0.00 -0.73 1.56 3.20 -1.37 -3.39 116.97 116.24 3lf5 h TYR 85 Ca 0.00 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.03 3lf5 h TYR 85 Cb 0.55 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.68 3lf5 h TYR 85 CO 0.00 0.00 -0.07 0.52 -1.64 0.00 0.00 178.16 176.97 3lf5 h MET 86 N 0.00 0.06 0.00 1.82 2.86 -1.12 0.04 114.93 118.59 3lf5 h MET 86 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3lf5 h MET 86 Cb 0.94 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3lf5 h MET 86 CO 0.00 0.04 0.00 -0.85 1.06 0.00 0.00 176.91 177.16 3lf5 n GLU 87 N -5.39 0.11 -0.02 1.72 0.28 -1.26 -3.24 120.64 112.84 3lf5 n GLU 87 Ca 0.12 0.30 0.07 0.00 -0.16 0.00 0.00 57.16 57.48 3lf5 n GLU 87 Cb 0.43 -1.69 -0.14 0.00 1.43 0.00 0.00 31.44 31.46 3lf5 n GLU 87 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3lf5 n TYR 88 N -1.90 0.00 -1.68 -1.84 4.01 -0.06 -5.01 117.16 110.69 3lf5 n TYR 88 Ca 0.03 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.29 3lf5 n TYR 88 Cb 0.24 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.76 3lf5 n TYR 88 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 3lf5 n HIS 89 N -2.19 2.29 0.17 -0.72 -0.00 -0.87 -4.85 115.22 109.06 3lf5 n HIS 89 Ca -0.06 0.08 0.10 0.00 0.46 0.00 0.00 57.72 58.29 3lf5 n HIS 89 Cb 0.54 -2.63 0.62 0.00 -0.12 0.00 0.00 29.99 28.40 3lf5 n HIS 89 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3lf5 h PRO 90 N 8.49 0.08 0.00 1.57 0.11 -1.93 -0.87 132.00 139.45 3lf5 h PRO 90 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3lf5 h PRO 90 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3lf5 h PRO 90 CO 0.94 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 3lf5 n GLY 91 N -1.55 -1.13 0.00 -0.55 0.00 -1.26 -5.02 105.19 95.68 3lf5 n GLY 91 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3lf5 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lf5 n GLY 92 N 1.13 0.01 0.18 -0.02 0.00 -0.33 -4.47 105.19 101.68 3lf5 n GLY 92 Ca 0.19 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3lf5 n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3lf5 h GLU 93 N 0.00 0.60 -0.77 1.61 5.08 -1.84 -3.08 114.58 116.17 3lf5 h GLU 93 Ca 0.00 -0.57 0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3lf5 h GLU 93 Cb 0.00 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3lf5 h GLU 93 CO 0.00 1.19 0.47 -0.44 -1.00 0.00 0.00 179.01 179.23 3lf5 h ASP 94 N 0.21 0.75 -0.23 1.42 3.32 -1.96 -0.23 116.42 119.70 3lf5 h ASP 94 Ca -0.08 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3lf5 h ASP 94 Cb 1.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3lf5 h ASP 94 CO 0.15 0.49 0.09 -0.33 -1.72 0.00 0.00 179.24 177.92 3lf5 h GLU 95 N 0.89 0.35 -0.77 3.56 4.39 -1.78 -2.66 114.58 118.56 3lf5 h GLU 95 Ca 0.33 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 3lf5 h GLU 95 Cb 0.12 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3lf5 h GLU 95 CO -0.15 0.41 0.35 1.25 -1.16 0.00 0.00 179.01 179.70 3lf5 h LEU 96 N 0.22 1.01 -1.96 1.33 5.85 -1.38 -1.93 115.31 118.46 3lf5 h LEU 96 Ca 0.08 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3lf5 h LEU 96 Cb 0.19 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3lf5 h LEU 96 CO -0.01 0.87 0.00 0.24 -0.34 0.00 0.00 178.44 179.21 3lf5 h MET 97 N 1.10 0.00 -0.14 1.25 2.86 -0.72 -2.02 114.93 117.26 3lf5 h MET 97 Ca 0.26 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 3lf5 h MET 97 Cb 0.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3lf5 h MET 97 CO -0.03 0.00 0.14 0.00 1.06 0.00 0.00 176.91 178.08 3lf5 h ARG 98 N 0.00 0.00 -0.45 1.72 3.08 -1.04 -1.74 114.38 115.95 3lf5 h ARG 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3lf5 h ARG 98 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3lf5 h ARG 98 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 3lf5 n ALA 99 N -2.37 2.36 -1.70 0.04 0.00 -0.76 -5.01 120.51 113.07 3lf5 n ALA 99 Ca 0.00 -1.09 -0.43 0.00 0.00 0.00 0.00 53.44 51.92 3lf5 n ALA 99 Cb 0.26 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 3lf5 n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lf5 n ALA 100 N 1.24 2.31 -2.01 0.00 0.00 -0.66 -1.84 120.51 119.56 3lf5 n ALA 100 Ca 0.18 0.42 -0.14 0.00 0.00 0.00 0.00 53.44 53.90 3lf5 n ALA 100 Cb 0.54 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 3lf5 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lf5 n GLY 101 N 3.78 0.27 3.48 0.00 0.00 0.35 -4.75 105.19 108.33 3lf5 n GLY 101 Ca 0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3lf5 n GLY 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lf5 s SER 102 N -2.52 0.66 -0.44 1.61 1.04 -0.76 -3.73 113.70 109.55 3lf5 s SER 102 Ca 0.00 -1.37 -0.29 0.00 0.48 0.00 0.00 55.95 54.77 3lf5 s SER 102 Cb 0.00 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.76 3lf5 s SER 102 CO 0.00 -1.23 1.23 -0.62 0.98 0.00 0.00 173.24 173.60 3lf5 s ASP 103 N -3.19 6.57 0.00 7.02 -1.08 -1.26 -1.54 116.67 123.19 3lf5 s ASP 103 Ca 0.30 0.67 0.18 0.00 -0.52 0.00 0.00 52.55 53.17 3lf5 s ASP 103 Cb 0.00 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.45 3lf5 s ASP 103 CO 0.17 -1.27 1.42 0.61 0.52 0.00 0.00 175.17 176.63 3lf5 n GLY 104 N 4.81 0.98 0.15 2.66 0.00 0.77 -4.58 105.19 109.98 3lf5 n GLY 104 Ca 0.14 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 3lf5 n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3lf5 h THR 105 N 2.86 1.02 -0.35 2.61 2.02 -1.90 0.07 112.91 119.24 3lf5 h THR 105 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3lf5 h THR 105 Cb 0.64 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3lf5 h THR 105 CO 0.00 0.07 0.13 -0.08 0.37 0.00 0.00 175.52 176.01 3lf5 h GLU 106 N 0.37 0.54 -0.34 6.66 4.81 -1.94 0.21 114.58 124.89 3lf5 h GLU 106 Ca 0.13 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3lf5 h GLU 106 Cb 0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3lf5 h GLU 106 CO -0.07 0.54 0.22 -0.07 -0.73 0.00 0.00 179.01 178.90 3lf5 h LEU 107 N 0.42 0.38 -0.57 1.64 3.38 -1.82 -1.45 115.31 117.29 3lf5 h LEU 107 Ca 0.12 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3lf5 h LEU 107 Cb 0.21 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3lf5 h LEU 107 CO -0.01 0.28 0.33 0.15 0.09 0.00 0.00 178.44 179.27 3lf5 h PHE 108 N 0.45 0.60 0.00 1.13 3.57 -0.75 -2.36 116.94 119.59 3lf5 h PHE 108 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3lf5 h PHE 108 Cb -0.05 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3lf5 h PHE 108 CO -0.06 0.32 -0.24 -0.44 -2.23 0.00 0.00 178.31 175.67 3lf5 h ASP 109 N 0.63 0.00 1.62 0.41 3.32 -0.66 -0.20 116.42 121.54 3lf5 h ASP 109 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3lf5 h ASP 109 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3lf5 h ASP 109 CO -0.13 0.24 0.00 0.06 -1.72 0.00 0.00 179.24 177.69 3lf5 h GLN 110 N 0.00 0.00 0.00 3.56 3.07 -0.73 -3.35 115.11 117.66 3lf5 h GLN 110 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 3lf5 h GLN 110 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.27 3lf5 h GLN 110 CO 0.03 0.00 -1.44 1.55 0.09 0.00 0.00 178.83 179.06 3lf5 n VAL 111 N -2.62 0.44 -2.74 1.86 3.14 -1.06 -4.96 118.33 112.40 3lf5 n VAL 111 Ca 0.05 -0.21 -0.06 0.00 -2.96 0.00 0.00 64.34 61.15 3lf5 n VAL 111 Cb 0.45 -0.80 0.04 0.00 -1.06 0.00 0.00 33.84 32.47 3lf5 n VAL 111 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3lf5 n HIS 112 N -2.54 -3.18 0.29 1.45 1.44 -0.11 -5.01 115.22 107.55 3lf5 n HIS 112 Ca -0.13 -1.52 0.17 0.00 -2.01 0.00 0.00 57.72 54.23 3lf5 n HIS 112 Cb 0.67 1.49 0.84 0.00 0.12 0.00 0.00 29.99 33.12 3lf5 n HIS 112 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 3lf5 h ARG 113 N 4.21 0.00 -0.32 -1.40 0.11 -1.69 -2.59 114.38 112.70 3lf5 h ARG 113 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3lf5 h ARG 113 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3lf5 h ARG 113 CO 0.19 0.00 0.00 0.91 0.10 0.00 0.00 179.97 181.17 3lf5 n TRP 114 N -2.77 0.42 -1.89 4.08 7.02 -1.26 -4.95 117.44 118.08 3lf5 n TRP 114 Ca -0.01 -0.26 -0.41 0.00 -1.02 0.00 0.00 57.50 55.80 3lf5 n TRP 114 Cb 0.14 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 29.01 3lf5 n TRP 114 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3lf5 s VAL 115 N -1.29 2.34 -1.40 -0.99 1.01 -0.98 -4.87 120.40 114.23 3lf5 s VAL 115 Ca 0.32 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 3lf5 s VAL 115 Cb 0.18 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.46 3lf5 s VAL 115 CO 0.26 0.05 2.13 -3.20 0.00 0.00 0.00 175.10 174.33 3lf5 n ASN 116 N 1.96 4.49 0.11 3.32 2.85 -1.26 -4.75 115.26 121.98 3lf5 n ASN 116 Ca 0.06 -2.94 0.01 0.00 -0.11 0.00 0.00 54.58 51.61 3lf5 n ASN 116 Cb 0.39 -1.59 0.35 0.00 1.24 0.00 0.00 39.78 40.17 3lf5 n ASN 116 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 3lf5 h TYR 117 N 5.86 0.26 -0.51 1.20 -0.00 -1.97 -1.65 116.97 120.16 3lf5 h TYR 117 Ca 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 58.73 59.18 3lf5 h TYR 117 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.26 3lf5 h TYR 117 CO 1.40 0.43 0.21 0.93 -0.00 0.00 0.00 178.16 181.13 3lf5 h GLU 118 N 0.23 0.76 -0.05 0.10 5.08 -1.96 0.47 114.58 119.21 3lf5 h GLU 118 Ca 0.04 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3lf5 h GLU 118 Cb 0.48 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3lf5 h GLU 118 CO 0.03 0.67 -0.13 1.03 -1.00 0.00 0.00 179.01 179.61 3lf5 h SER 119 N 0.69 0.21 -0.88 1.42 0.87 -1.94 -2.84 113.55 111.07 3lf5 h SER 119 Ca 0.17 -0.60 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 3lf5 h SER 119 Cb 0.19 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 3lf5 h SER 119 CO -0.01 0.77 0.45 0.24 -0.53 0.00 0.00 176.83 177.75 3lf5 h MET 120 N -0.34 1.25 -0.56 2.24 2.86 -1.10 -3.06 114.93 116.22 3lf5 h MET 120 Ca -0.00 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3lf5 h MET 120 Cb 0.74 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3lf5 h MET 120 CO 0.03 0.93 0.00 1.28 1.06 0.00 0.00 176.91 180.21 3lf5 n LEU 121 N -4.32 4.22 -0.28 1.22 4.77 0.14 -4.67 117.00 118.10 3lf5 n LEU 121 Ca 0.09 -2.37 0.10 0.00 -0.03 0.00 0.00 56.01 53.80 3lf5 n LEU 121 Cb 0.12 -0.50 0.35 0.00 -2.33 0.00 0.00 43.42 41.06 3lf5 n LEU 121 CO 0.39 0.81 1.22 0.50 -1.33 0.00 0.00 177.39 178.99 3lf5 h LYS 122 N 3.48 0.74 0.00 3.23 1.63 -1.39 0.70 116.57 124.96 3lf5 h LYS 122 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3lf5 h LYS 122 Cb 1.26 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3lf5 h LYS 122 CO 0.16 0.49 0.00 0.39 -3.45 0.00 0.00 179.45 177.04 3lf5 n GLU 123 N -4.56 0.26 -0.15 1.90 -0.58 -1.26 -2.68 120.64 113.57 3lf5 n GLU 123 Ca 0.17 0.05 0.09 0.00 -0.42 0.00 0.00 57.16 57.05 3lf5 n GLU 123 Cb 0.41 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.94 3lf5 n GLU 123 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lf5 s LEU 125 N -2.82 4.34 -0.10 0.00 2.96 -1.09 -0.86 118.68 121.11 3lf5 s LEU 125 Ca 0.34 2.30 -0.09 0.00 -0.22 0.00 0.00 54.13 56.45 3lf5 s LEU 125 Cb 0.29 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 43.15 3lf5 s LEU 125 CO 0.04 -0.88 0.46 0.58 -1.32 0.00 0.00 176.35 175.24 3lf5 h VAL 126 N 5.22 0.75 0.00 1.68 2.07 -0.88 -3.47 116.25 121.62 3lf5 h VAL 126 Ca -0.40 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.73 3lf5 h VAL 126 Cb 1.19 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3lf5 h VAL 126 CO 0.94 0.86 0.00 0.61 0.02 0.00 0.00 177.57 180.00 3lf5 n GLY 127 N 1.93 -0.18 3.23 2.17 0.00 -1.19 -1.53 105.19 109.61 3lf5 n GLY 127 Ca -0.29 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 3lf5 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lf5 s ARG 128 N -2.00 1.06 0.38 1.61 1.81 -0.68 -0.91 118.95 120.23 3lf5 s ARG 128 Ca 0.00 -1.01 -0.27 0.00 -1.72 0.00 0.00 55.73 52.73 3lf5 s ARG 128 Cb 0.00 -1.20 -0.09 0.00 -0.45 0.00 0.00 34.95 33.20 3lf5 s ARG 128 CO 0.00 0.29 1.32 -1.64 -0.68 0.00 0.00 175.30 174.59 3lf5 s MET 129 N -1.62 4.12 0.80 3.54 -1.94 -0.49 -0.68 119.30 123.02 3lf5 s MET 129 Ca 0.04 2.21 -0.13 0.00 -1.71 0.00 0.00 55.69 56.10 3lf5 s MET 129 Cb -0.09 -2.89 0.08 0.00 2.01 0.00 0.00 34.83 33.94 3lf5 s MET 129 CO 0.03 -0.39 1.19 0.00 -0.01 0.00 0.00 175.02 175.84 3lf5 s ALA 130 N -1.21 1.87 0.20 3.03 0.00 0.04 -4.77 121.76 120.93 3lf5 s ALA 130 Ca 0.54 0.80 0.10 0.00 0.00 0.00 0.00 51.96 53.39 3lf5 s ALA 130 Cb -0.39 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.21 3lf5 s ALA 130 CO 0.52 -2.24 -0.19 0.96 0.00 0.00 0.00 175.76 174.81 3lf5 s ILE 131 N -2.21 2.07 0.25 0.00 -4.36 -1.26 -4.99 121.20 110.71 3lf5 s ILE 131 Ca 0.72 -2.10 -0.26 0.00 -0.26 0.00 0.00 60.65 58.76 3lf5 s ILE 131 Cb -0.27 -2.04 -0.09 0.00 1.25 0.00 0.00 42.46 41.31 3lf5 s ILE 131 CO 0.50 -0.33 0.86 -0.54 0.24 0.00 0.00 174.94 175.67 3lf5 s LYS 132 N -3.06 4.58 0.50 0.37 3.01 -1.26 -4.96 119.74 118.92 3lf5 s LYS 132 Ca 0.21 1.23 0.24 0.00 -1.01 0.00 0.00 55.97 56.65 3lf5 s LYS 132 Cb -0.05 -3.03 1.31 0.00 -1.01 0.00 0.00 37.83 35.05 3lf5 s LYS 132 CO 0.09 0.43 1.93 -1.35 0.51 0.00 0.00 175.35 176.96 3lf5 h PRO 133 N 3.72 0.13 0.00 -1.68 0.11 -2.03 -0.69 132.00 131.56 3lf5 h PRO 133 Ca -0.47 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3lf5 h PRO 133 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3lf5 h PRO 133 CO 0.66 0.09 -0.06 0.00 -0.21 0.00 0.00 178.00 178.47 3lf5 h ALA 134 N 1.64 1.26 -0.39 -0.75 0.00 -2.00 -1.93 119.26 117.09 3lf5 h ALA 134 Ca 0.36 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.33 3lf5 h ALA 134 Cb 1.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3lf5 h ALA 134 CO -0.05 0.08 0.34 0.28 0.00 0.00 0.00 179.25 179.90 3lf5 h VAL 135 N 0.00 0.58 -0.11 0.00 2.07 -1.51 -1.83 116.25 115.45 3lf5 h VAL 135 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3lf5 h VAL 135 Cb 0.22 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3lf5 h VAL 135 CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 3lf5 n LEU 136 N -4.06 2.16 0.00 2.57 4.77 -0.73 -5.10 117.00 116.61 3lf5 n LEU 136 Ca 0.07 -0.80 0.06 0.00 -0.03 0.00 0.00 56.01 55.31 3lf5 n LEU 136 Cb 0.52 -0.06 0.37 0.00 -2.33 0.00 0.00 43.42 41.92 3lf5 n LEU 136 CO 0.32 0.40 0.58 0.29 -1.33 0.00 0.00 177.39 177.65