#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ld9 s GLN 2 N 0.00 0.39 -0.05 0.38 0.74 -1.26 -4.92 119.66 114.94 1ld9 s GLN 2 Ca 0.00 -0.27 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 1ld9 s GLN 2 Cb 0.00 -0.34 -0.03 0.00 1.10 0.00 0.00 33.01 33.74 1ld9 s GLN 2 CO 0.00 0.09 0.02 0.15 -0.55 0.00 0.00 175.29 175.00 1ld9 s LYS 3 N -0.37 2.96 -0.31 1.67 -0.14 -0.69 -4.88 119.74 117.98 1ld9 s LYS 3 Ca -0.01 -0.46 -0.15 0.00 -1.36 0.00 0.00 55.97 53.99 1ld9 s LYS 3 Cb -0.03 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1ld9 s LYS 3 CO -0.00 0.68 0.36 0.95 -0.76 0.00 0.00 175.35 176.58 1ld9 s THR 4 N -0.99 5.17 1.17 2.17 -4.23 -1.26 -3.65 115.64 114.02 1ld9 s THR 4 Ca 0.16 0.27 -0.16 0.00 -1.18 0.00 0.00 61.69 60.79 1ld9 s THR 4 Cb -0.11 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.23 1ld9 s THR 4 CO 0.06 0.02 1.05 -2.16 -0.54 0.00 0.00 174.62 173.05 1ld9 s PRO 5 N 2.04 -0.92 -0.14 3.99 0.05 -1.26 -4.81 135.00 133.95 1ld9 s PRO 5 Ca 0.13 0.40 0.00 0.00 0.05 0.00 0.00 61.00 61.58 1ld9 s PRO 5 Cb -0.16 -1.59 0.03 0.00 0.05 0.00 0.00 34.50 32.82 1ld9 s PRO 5 CO 0.11 -3.61 -0.11 -1.14 0.05 0.00 0.00 177.00 172.30 1ld9 s GLN 6 N -4.93 1.94 0.30 4.56 -0.44 -0.92 -4.97 119.66 115.19 1ld9 s GLN 6 Ca 0.68 -0.45 0.07 0.00 -2.50 0.00 0.00 55.36 53.16 1ld9 s GLN 6 Cb -0.18 -1.92 -0.03 0.00 -1.64 0.00 0.00 33.01 29.24 1ld9 s GLN 6 CO 0.59 -0.27 0.22 0.42 0.50 0.00 0.00 175.29 176.76 1ld9 s ILE 7 N 1.58 3.85 -0.18 -2.34 1.09 -1.26 -2.18 121.20 121.75 1ld9 s ILE 7 Ca 0.04 -1.44 -0.11 0.00 -1.10 0.00 0.00 60.65 58.04 1ld9 s ILE 7 Cb -0.13 -3.23 0.06 0.00 -1.06 0.00 0.00 42.46 38.10 1ld9 s ILE 7 CO -0.09 -0.26 0.45 -1.10 -0.10 0.00 0.00 174.94 173.84 1ld9 s GLN 8 N -3.90 0.45 -0.06 2.79 -0.21 -1.00 -4.99 119.66 112.73 1ld9 s GLN 8 Ca 0.37 0.83 0.03 0.00 0.02 0.00 0.00 55.36 56.61 1ld9 s GLN 8 Cb -0.06 0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 1ld9 s GLN 8 CO 0.25 -0.15 -0.16 0.08 -2.12 0.00 0.00 175.29 173.20 1ld9 s VAL 9 N 1.30 2.93 -0.16 1.09 1.01 -1.26 -1.90 120.40 123.41 1ld9 s VAL 9 Ca -0.09 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 1ld9 s VAL 9 Cb -0.07 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.25 1ld9 s VAL 9 CO -0.12 0.58 0.82 -0.72 0.00 0.00 0.00 175.10 175.66 1ld9 s TYR 10 N -0.49 -0.59 -0.16 5.22 -0.85 -0.93 -4.66 117.35 114.89 1ld9 s TYR 10 Ca 0.06 1.19 -0.29 0.00 -0.52 0.00 0.00 57.07 57.51 1ld9 s TYR 10 Cb -0.12 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1ld9 s TYR 10 CO 0.02 -0.43 1.76 -1.54 -1.52 0.00 0.00 175.55 173.84 1ld9 s SER 11 N -0.59 6.28 0.49 -0.18 1.04 -1.26 -2.37 113.70 117.11 1ld9 s SER 11 Ca -0.04 1.89 0.25 0.00 0.48 0.00 0.00 55.95 58.53 1ld9 s SER 11 Cb -0.02 -2.53 1.29 0.00 0.10 0.00 0.00 66.02 64.86 1ld9 s SER 11 CO 0.03 -1.30 2.01 -0.09 0.98 0.00 0.00 173.24 174.88 1ld9 h ARG 12 N 11.23 0.00 -4.08 4.02 1.12 -1.73 -3.42 114.38 121.52 1ld9 h ARG 12 Ca -0.38 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 58.34 1ld9 h ARG 12 Cb 1.18 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 30.96 1ld9 h ARG 12 CO 0.98 0.16 -0.69 -1.01 -3.11 0.00 0.00 179.97 176.30 1ld9 s HIS 13 N -4.15 0.36 0.41 2.20 3.76 -1.26 -4.92 115.29 111.69 1ld9 s HIS 13 Ca -0.02 -0.74 -0.27 0.00 -0.15 0.00 0.00 55.06 53.88 1ld9 s HIS 13 Cb 0.13 -0.27 -0.09 0.00 1.11 0.00 0.00 32.58 33.46 1ld9 s HIS 13 CO 0.61 -0.26 1.40 -2.14 -0.85 0.00 0.00 174.74 173.49 1ld9 s PRO 14 N -2.43 3.94 0.32 8.40 0.01 -1.26 -4.81 135.00 139.17 1ld9 s PRO 14 Ca -0.07 2.37 -0.28 0.00 0.01 0.00 0.00 61.00 63.04 1ld9 s PRO 14 Cb -0.03 -2.81 -0.09 0.00 0.01 0.00 0.00 34.50 31.58 1ld9 s PRO 14 CO -0.05 -0.59 1.13 -1.25 0.01 0.00 0.00 177.00 176.25 1ld9 s PRO 15 N -2.23 4.43 -0.18 5.54 0.04 -1.26 -5.00 135.00 136.34 1ld9 s PRO 15 Ca 0.56 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 63.39 1ld9 s PRO 15 Cb -0.43 -2.99 0.08 0.00 0.04 0.00 0.00 34.50 31.20 1ld9 s PRO 15 CO 0.56 0.02 0.16 -1.21 0.04 0.00 0.00 177.00 176.57 1ld9 s GLU 16 N -1.79 0.12 -0.41 4.56 2.02 -1.26 -5.06 118.70 116.89 1ld9 s GLU 16 Ca 0.49 0.12 -0.26 0.00 0.02 0.00 0.00 54.97 55.34 1ld9 s GLU 16 Cb -0.31 -1.37 0.02 0.00 0.10 0.00 0.00 34.13 32.57 1ld9 s GLU 16 CO 0.40 -0.63 0.96 0.54 0.02 0.00 0.00 175.26 176.56 1ld9 s ASN 17 N 2.25 6.64 0.00 -0.19 6.03 -1.26 -3.03 114.94 125.37 1ld9 s ASN 17 Ca 0.05 0.46 0.00 0.00 -1.03 0.00 0.00 52.86 52.34 1ld9 s ASN 17 Cb -0.15 -2.48 0.00 0.00 -3.03 0.00 0.00 41.25 35.59 1ld9 s ASN 17 CO -0.10 -0.97 0.00 0.61 -2.03 0.00 0.00 177.10 174.61 1ld9 n GLY 18 N 4.58 0.83 3.81 0.45 0.00 -1.14 -4.91 105.19 108.80 1ld9 n GLY 18 Ca 0.08 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.26 1ld9 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ld9 s LYS 19 N -1.82 1.65 0.74 1.61 1.02 -1.17 -5.08 119.74 116.70 1ld9 s LYS 19 Ca 0.00 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1ld9 s LYS 19 Cb 0.00 0.58 0.17 0.00 -0.52 0.00 0.00 37.83 38.06 1ld9 s LYS 19 CO 0.00 -0.76 0.97 -0.35 -0.92 0.00 0.00 175.35 174.30 1ld9 n PRO 20 N -0.45 -1.12 0.00 -1.68 -0.05 -1.26 -4.63 135.00 125.81 1ld9 n PRO 20 Ca -0.05 -1.51 0.00 0.00 -0.05 0.00 0.00 63.50 61.89 1ld9 n PRO 20 Cb 0.60 -1.04 0.00 0.00 -0.05 0.00 0.00 33.50 33.01 1ld9 n PRO 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1ld9 n ASN 21 N -3.71 0.00 -4.77 3.54 3.02 -1.03 -4.83 115.26 107.48 1ld9 n ASN 21 Ca 0.12 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.36 1ld9 n ASN 21 Cb 0.43 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.53 1ld9 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ld9 s ILE 22 N -2.00 4.55 -0.10 2.41 1.09 -1.26 -2.11 121.20 123.78 1ld9 s ILE 22 Ca 0.00 -0.68 0.03 0.00 -1.10 0.00 0.00 60.65 58.89 1ld9 s ILE 22 Cb 0.00 -3.16 -0.01 0.00 -1.06 0.00 0.00 42.46 38.23 1ld9 s ILE 22 CO 0.00 0.19 -0.19 -0.22 -0.10 0.00 0.00 174.94 174.61 1ld9 s LEU 23 N -2.21 2.39 -0.06 2.97 0.20 -0.78 -1.77 118.68 119.42 1ld9 s LEU 23 Ca 0.27 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.71 1ld9 s LEU 23 Cb -0.12 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.13 1ld9 s LEU 23 CO 0.20 0.19 -0.18 0.20 -0.29 0.00 0.00 176.35 176.47 1ld9 s ASN 24 N 0.15 3.68 -0.33 3.68 -0.87 -1.00 -1.50 114.94 118.76 1ld9 s ASN 24 Ca -0.10 -0.33 -0.05 0.00 -1.57 0.00 0.00 52.86 50.81 1ld9 s ASN 24 Cb -0.16 -0.93 0.04 0.00 -0.02 0.00 0.00 41.25 40.18 1ld9 s ASN 24 CO 0.06 0.28 0.07 0.00 -2.57 0.00 0.00 177.10 174.95 1ld9 s TYR 26 N 1.36 3.35 -0.28 0.00 5.04 -0.80 -1.15 117.35 124.87 1ld9 s TYR 26 Ca -0.03 -1.55 -0.09 0.00 -2.44 0.00 0.00 57.07 52.96 1ld9 s TYR 26 Cb -0.20 -3.26 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 1ld9 s TYR 26 CO 0.02 -0.91 0.12 0.08 -1.34 0.00 0.00 175.55 173.51 1ld9 s VAL 27 N 1.45 4.47 0.30 3.14 1.01 -1.21 -2.37 120.40 127.20 1ld9 s VAL 27 Ca 0.04 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1ld9 s VAL 27 Cb -0.25 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1ld9 s VAL 27 CO 0.02 0.18 -0.10 -0.89 0.00 0.00 0.00 175.10 174.30 1ld9 s THR 28 N 1.61 2.62 -0.55 3.92 2.01 -0.92 -2.86 115.64 121.46 1ld9 s THR 28 Ca 0.05 -2.20 -0.24 0.00 0.31 0.00 0.00 61.69 59.62 1ld9 s THR 28 Cb -0.16 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.82 1ld9 s THR 28 CO 0.05 -0.32 0.64 0.00 -0.69 0.00 0.00 174.62 174.31 1ld9 n GLN 29 N -0.77 -1.88 -3.96 4.92 1.13 -1.06 -2.17 117.38 113.59 1ld9 n GLN 29 Ca -0.05 1.40 -0.09 0.00 -1.94 0.00 0.00 57.00 56.32 1ld9 n GLN 29 Cb 0.61 -3.00 -0.09 0.00 0.11 0.00 0.00 30.24 27.87 1ld9 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1ld9 s PHE 30 N -2.12 0.28 -0.31 1.08 -0.12 -1.26 -4.23 117.98 111.30 1ld9 s PHE 30 Ca 0.25 -0.69 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 1ld9 s PHE 30 Cb -0.03 -0.19 0.19 0.00 -0.63 0.00 0.00 43.02 42.36 1ld9 s PHE 30 CO 0.85 -0.41 0.57 -1.58 -0.05 0.00 0.00 175.22 174.60 1ld9 s HIS 31 N -3.29 -1.71 0.22 3.49 2.46 -1.24 -1.84 115.29 113.38 1ld9 s HIS 31 Ca 0.01 0.82 0.10 0.00 0.47 0.00 0.00 55.06 56.46 1ld9 s HIS 31 Cb 0.03 0.24 -0.05 0.00 -0.13 0.00 0.00 32.58 32.68 1ld9 s HIS 31 CO -0.08 -1.09 -0.19 -1.25 -2.47 0.00 0.00 174.74 169.66 1ld9 s PRO 32 N 2.61 1.48 0.00 2.88 0.05 -1.26 -1.70 135.00 139.06 1ld9 s PRO 32 Ca 0.11 -1.60 0.00 0.00 0.05 0.00 0.00 61.00 59.56 1ld9 s PRO 32 Cb -0.09 -1.56 0.00 0.00 0.05 0.00 0.00 34.50 32.90 1ld9 s PRO 32 CO -0.23 0.30 0.60 -0.35 0.05 0.00 0.00 177.00 177.37 1ld9 n PRO 33 N -0.16 0.40 -3.81 0.56 -0.04 -1.26 -4.72 135.00 125.96 1ld9 n PRO 33 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1ld9 n PRO 33 Cb 0.58 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.61 1ld9 n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ld9 s HIS 34 N 0.91 3.16 -0.01 0.54 3.76 -1.26 -5.10 115.29 117.30 1ld9 s HIS 34 Ca 0.00 -1.28 0.02 0.00 -0.15 0.00 0.00 55.06 53.65 1ld9 s HIS 34 Cb 0.00 -2.20 -0.00 0.00 1.11 0.00 0.00 32.58 31.49 1ld9 s HIS 34 CO 0.00 -0.66 -0.05 -1.50 -0.85 0.00 0.00 174.74 171.68 1ld9 s ILE 35 N 1.42 0.42 -0.11 0.60 1.10 -1.26 -4.51 121.20 118.86 1ld9 s ILE 35 Ca 0.00 -0.21 -0.00 0.00 -0.51 0.00 0.00 60.65 59.93 1ld9 s ILE 35 Cb -0.18 -0.37 -0.02 0.00 0.15 0.00 0.00 42.46 42.04 1ld9 s ILE 35 CO 0.01 0.13 -0.10 -0.70 -2.11 0.00 0.00 174.94 172.17 1ld9 s GLU 36 N -0.01 3.13 -0.18 3.50 -6.30 0.75 -4.93 118.70 114.65 1ld9 s GLU 36 Ca 0.01 -0.62 -0.02 0.00 -2.50 0.00 0.00 54.97 51.84 1ld9 s GLU 36 Cb -0.03 -2.64 0.05 0.00 0.00 0.00 0.00 34.13 31.51 1ld9 s GLU 36 CO -0.00 0.41 0.01 0.42 0.02 0.00 0.00 175.26 176.12 1ld9 s ILE 37 N -0.14 0.70 -0.27 -3.70 1.09 -1.23 -0.88 121.20 116.77 1ld9 s ILE 37 Ca 0.00 -0.57 -0.05 0.00 -1.10 0.00 0.00 60.65 58.93 1ld9 s ILE 37 Cb -0.13 -1.10 0.01 0.00 -1.06 0.00 0.00 42.46 40.18 1ld9 s ILE 37 CO 0.03 -0.11 0.02 -1.58 -0.10 0.00 0.00 174.94 173.20 1ld9 s GLN 38 N 1.79 3.07 0.18 2.79 2.00 0.86 -4.92 119.66 125.43 1ld9 s GLN 38 Ca -0.01 -0.85 -0.04 0.00 -2.00 0.00 0.00 55.36 52.46 1ld9 s GLN 38 Cb -0.17 -3.20 -0.05 0.00 0.80 0.00 0.00 33.01 30.39 1ld9 s GLN 38 CO -0.07 -0.39 0.41 -1.64 -0.50 0.00 0.00 175.29 173.11 1ld9 s MET 39 N 1.45 3.62 -0.03 1.67 -1.94 -1.26 -0.58 119.30 122.22 1ld9 s MET 39 Ca 0.02 -0.09 0.01 0.00 -1.71 0.00 0.00 55.69 53.93 1ld9 s MET 39 Cb -0.17 -2.80 0.01 0.00 2.01 0.00 0.00 34.83 33.88 1ld9 s MET 39 CO -0.00 0.41 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.85 1ld9 s LEU 40 N -2.89 1.56 0.00 -0.03 1.43 0.21 -1.81 118.68 117.15 1ld9 s LEU 40 Ca 0.41 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1ld9 s LEU 40 Cb -0.12 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.67 1ld9 s LEU 40 CO 0.26 -0.01 0.00 1.17 0.23 0.00 0.00 176.35 178.00 1ld9 n LYS 41 N 3.67 0.00 0.00 1.70 4.81 -0.99 -0.97 118.16 126.39 1ld9 n LYS 41 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1ld9 n LYS 41 Cb 0.53 -0.28 0.00 0.00 0.02 0.00 0.00 35.03 35.30 1ld9 n LYS 41 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1ld9 n ASN 42 N 0.00 0.00 0.00 3.14 2.85 -1.07 -2.06 115.26 118.13 1ld9 n ASN 42 Ca 0.00 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1ld9 n ASN 42 Cb 0.00 -0.19 0.00 0.00 1.24 0.00 0.00 39.78 40.83 1ld9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ld9 n GLY 43 N 2.30 0.93 2.49 8.20 0.00 -1.26 -4.56 105.19 113.29 1ld9 n GLY 43 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ld9 n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ld9 n LYS 44 N -0.81 0.94 -1.49 1.61 2.85 -1.26 -5.00 118.16 115.00 1ld9 n LYS 44 Ca 0.00 -2.22 -0.32 0.00 -1.05 0.00 0.00 58.31 54.72 1ld9 n LYS 44 Cb 0.00 0.19 0.07 0.00 -0.65 0.00 0.00 35.03 34.65 1ld9 n LYS 44 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1ld9 s LYS 45 N -3.50 2.49 -0.24 -1.58 0.00 -1.26 -2.35 119.74 113.30 1ld9 s LYS 45 Ca 0.23 1.30 -0.05 0.00 0.00 0.00 0.00 55.97 57.45 1ld9 s LYS 45 Cb -0.02 -1.92 -0.01 0.00 0.00 0.00 0.00 37.83 35.89 1ld9 s LYS 45 CO 0.14 -1.48 -0.01 0.96 0.00 0.00 0.00 175.35 174.96 1ld9 s ILE 46 N -2.61 3.55 0.12 3.79 -5.25 -0.75 -4.62 121.20 115.44 1ld9 s ILE 46 Ca 0.64 -0.52 -0.25 0.00 -0.99 0.00 0.00 60.65 59.54 1ld9 s ILE 46 Cb -0.19 -2.67 -0.05 0.00 2.95 0.00 0.00 42.46 42.50 1ld9 s ILE 46 CO 0.49 0.34 1.65 -0.65 -1.79 0.00 0.00 174.94 174.98 1ld9 h PRO 47 N 8.14 -0.32 -5.05 0.37 0.10 -1.97 -3.40 132.00 129.87 1ld9 h PRO 47 Ca -0.39 0.02 -0.68 0.00 0.10 0.00 0.00 66.00 65.05 1ld9 h PRO 47 Cb 1.15 0.07 -0.17 0.00 0.10 0.00 0.00 31.00 32.15 1ld9 h PRO 47 CO 0.60 -0.21 0.73 0.21 0.10 0.00 0.00 178.00 179.42 1ld9 s LYS 48 N -6.09 3.49 -0.36 1.05 2.20 -1.26 -4.89 119.74 113.87 1ld9 s LYS 48 Ca -0.15 -1.59 0.00 0.00 -0.36 0.00 0.00 55.97 53.87 1ld9 s LYS 48 Cb 0.09 -4.75 0.09 0.00 -1.51 0.00 0.00 37.83 31.75 1ld9 s LYS 48 CO 0.66 -1.76 0.10 0.14 -0.36 0.00 0.00 175.35 174.13 1ld9 s VAL 49 N 2.87 2.79 -0.34 4.02 -7.23 -1.26 -4.38 120.40 116.87 1ld9 s VAL 49 Ca 0.29 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 58.15 1ld9 s VAL 49 Cb -0.08 -2.90 0.01 0.00 0.56 0.00 0.00 36.38 33.97 1ld9 s VAL 49 CO -0.05 -0.53 0.96 -1.61 -0.31 0.00 0.00 175.10 173.55 1ld9 s GLU 50 N 1.06 3.95 -0.77 4.82 8.01 -1.18 -4.93 118.70 129.67 1ld9 s GLU 50 Ca 0.06 0.77 0.01 0.00 0.01 0.00 0.00 54.97 55.83 1ld9 s GLU 50 Cb -0.21 -3.76 0.19 0.00 -4.31 0.00 0.00 34.13 26.04 1ld9 s GLU 50 CO -0.05 -0.88 0.60 -1.64 0.01 0.00 0.00 175.26 173.30 1ld9 s MET 51 N 3.45 2.81 0.35 1.61 -1.94 -1.26 -1.31 119.30 123.01 1ld9 s MET 51 Ca 0.40 -3.16 -0.26 0.00 -1.71 0.00 0.00 55.69 50.95 1ld9 s MET 51 Cb -0.12 -3.70 -0.12 0.00 2.01 0.00 0.00 34.83 32.90 1ld9 s MET 51 CO 0.16 -1.25 1.03 -1.13 -0.01 0.00 0.00 175.02 173.82 1ld9 n SER 52 N 2.40 1.39 -2.37 3.03 3.41 0.14 -4.80 113.62 116.83 1ld9 n SER 52 Ca 0.18 1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 59.85 1ld9 n SER 52 Cb 0.36 -1.33 0.04 0.00 -0.26 0.00 0.00 64.21 63.01 1ld9 n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ld9 n ASP 53 N 0.90 0.05 -4.69 4.04 8.00 -1.26 -2.94 116.55 120.66 1ld9 n ASP 53 Ca 0.09 -1.11 -0.40 0.00 0.71 0.00 0.00 54.79 54.08 1ld9 n ASP 53 Cb 0.35 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.23 1ld9 n ASP 53 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ld9 s MET 54 N -3.45 4.32 0.29 -1.24 -1.94 -1.26 -4.79 119.30 111.23 1ld9 s MET 54 Ca 0.14 0.81 0.09 0.00 -1.71 0.00 0.00 55.69 55.01 1ld9 s MET 54 Cb -0.00 -3.52 -0.06 0.00 2.01 0.00 0.00 34.83 33.26 1ld9 s MET 54 CO 0.10 -0.14 -0.11 -1.12 -0.01 0.00 0.00 175.02 173.74 1ld9 s SER 55 N 1.02 3.15 0.15 3.03 0.01 -1.14 -5.00 113.70 114.92 1ld9 s SER 55 Ca 0.34 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.50 1ld9 s SER 55 Cb -0.17 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.78 1ld9 s SER 55 CO 0.14 -0.21 -0.08 0.72 0.41 0.00 0.00 173.24 174.22 1ld9 s PHE 56 N -2.80 1.23 0.52 2.43 -0.12 -1.26 -2.25 117.98 115.72 1ld9 s PHE 56 Ca 0.29 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1ld9 s PHE 56 Cb 0.01 -0.65 0.01 0.00 -0.63 0.00 0.00 43.02 41.76 1ld9 s PHE 56 CO 0.13 0.01 0.20 -1.54 -0.05 0.00 0.00 175.22 173.97 1ld9 s SER 57 N -3.16 4.38 0.16 1.98 1.04 0.22 -4.93 113.70 113.39 1ld9 s SER 57 Ca 0.17 -1.42 0.04 0.00 0.48 0.00 0.00 55.95 55.22 1ld9 s SER 57 Cb 0.04 0.40 0.23 0.00 0.10 0.00 0.00 66.02 66.78 1ld9 s SER 57 CO 0.01 -0.94 0.90 2.29 0.98 0.00 0.00 173.24 176.47 1ld9 n LYS 58 N -1.49 0.03 -0.49 4.02 2.85 -1.26 0.97 118.16 122.79 1ld9 n LYS 58 Ca -0.10 0.36 0.08 0.00 -1.05 0.00 0.00 58.31 57.61 1ld9 n LYS 58 Cb 0.66 -1.98 0.28 0.00 -0.65 0.00 0.00 35.03 33.33 1ld9 n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ld9 n ASP 59 N -1.57 4.10 0.00 -5.58 5.75 -1.26 -4.92 116.55 113.08 1ld9 n ASP 59 Ca -0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 1ld9 n ASP 59 Cb 0.39 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1ld9 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ld9 n TRP 60 N -0.13 0.00 -2.02 2.11 7.02 0.27 -4.98 117.44 119.72 1ld9 n TRP 60 Ca 0.21 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.30 1ld9 n TRP 60 Cb 0.88 -0.62 -0.00 0.00 -2.42 0.00 0.00 31.31 29.15 1ld9 n TRP 60 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1ld9 s SER 61 N -2.63 6.34 0.73 -0.99 0.15 -1.22 -4.48 113.70 111.61 1ld9 s SER 61 Ca 0.00 2.72 -0.02 0.00 0.70 0.00 0.00 55.95 59.35 1ld9 s SER 61 Cb 0.00 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 1ld9 s SER 61 CO 0.00 -0.83 1.01 -0.36 1.20 0.00 0.00 173.24 174.25 1ld9 s PHE 62 N -1.22 1.72 0.00 3.44 0.40 -0.77 0.70 117.98 122.25 1ld9 s PHE 62 Ca 0.56 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1ld9 s PHE 62 Cb -0.40 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.06 1ld9 s PHE 62 CO 0.52 -1.72 0.00 2.48 0.70 0.00 0.00 175.22 177.20 1ld9 n TYR 63 N -2.88 0.00 -3.82 0.36 4.11 -0.96 -2.57 117.16 111.41 1ld9 n TYR 63 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.90 57.93 1ld9 n TYR 63 Cb 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.86 1ld9 n TYR 63 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1ld9 s ILE 64 N -1.71 0.09 -0.41 -3.48 2.07 -1.14 -2.89 121.20 113.74 1ld9 s ILE 64 Ca 0.00 -0.76 -0.11 0.00 -1.41 0.00 0.00 60.65 58.37 1ld9 s ILE 64 Cb 0.00 -0.80 0.06 0.00 0.13 0.00 0.00 42.46 41.85 1ld9 s ILE 64 CO 0.00 -0.42 0.26 -0.22 -1.91 0.00 0.00 174.94 172.66 1ld9 s LEU 65 N -1.86 5.06 0.19 8.50 1.98 -1.15 -3.28 118.68 128.12 1ld9 s LEU 65 Ca -0.08 -1.26 -0.02 0.00 -2.89 0.00 0.00 54.13 49.88 1ld9 s LEU 65 Cb -0.03 -2.04 -0.05 0.00 0.66 0.00 0.00 46.19 44.74 1ld9 s LEU 65 CO -0.02 -0.49 0.40 0.00 -1.89 0.00 0.00 176.35 174.35 1ld9 s ALA 66 N 1.52 3.80 0.00 5.97 0.00 -0.30 0.27 121.76 133.01 1ld9 s ALA 66 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1ld9 s ALA 66 Cb -0.22 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1ld9 s ALA 66 CO 0.05 0.49 0.00 -2.39 0.00 0.00 0.00 175.76 173.91 1ld9 n HIS 67 N -0.45 0.00 -2.57 0.00 -0.00 -0.42 -0.13 115.22 111.64 1ld9 n HIS 67 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1ld9 n HIS 67 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 1ld9 n HIS 67 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1ld9 n THR 68 N -0.26 0.00 -5.22 0.61 5.66 -0.56 -3.11 114.28 111.40 1ld9 n THR 68 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1ld9 n THR 68 Cb 0.00 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.62 1ld9 n THR 68 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 1ld9 s GLU 69 N 1.43 2.38 -0.22 1.09 2.12 -1.26 -1.87 118.70 122.37 1ld9 s GLU 69 Ca 0.00 -0.88 -0.20 0.00 0.36 0.00 0.00 54.97 54.26 1ld9 s GLU 69 Cb 0.00 -2.07 0.06 0.00 0.26 0.00 0.00 34.13 32.38 1ld9 s GLU 69 CO 0.00 0.40 0.57 -0.59 -0.54 0.00 0.00 175.26 175.10 1ld9 s PHE 70 N -0.22 -0.64 -0.69 5.30 -0.71 -0.90 -4.96 117.98 115.17 1ld9 s PHE 70 Ca -0.01 1.54 -0.20 0.00 -1.04 0.00 0.00 56.93 57.22 1ld9 s PHE 70 Cb -0.13 0.22 0.10 0.00 -1.21 0.00 0.00 43.02 42.00 1ld9 s PHE 70 CO 0.03 -0.31 0.90 0.95 -1.34 0.00 0.00 175.22 175.45 1ld9 s THR 71 N 0.34 4.61 0.70 -4.49 -4.23 -1.26 -2.45 115.64 108.86 1ld9 s THR 71 Ca -0.00 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.46 1ld9 s THR 71 Cb -0.04 -4.63 -0.07 0.00 1.34 0.00 0.00 72.50 69.10 1ld9 s THR 71 CO 0.00 -1.34 0.27 -0.81 -0.54 0.00 0.00 174.62 172.20 1ld9 n PRO 72 N 6.89 0.22 -3.29 3.99 -0.04 -1.26 -4.78 135.00 136.73 1ld9 n PRO 72 Ca -0.00 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1ld9 n PRO 72 Cb 0.45 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1ld9 n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ld9 n THR 73 N -2.19 0.00 -0.03 0.52 -2.24 -1.26 -2.88 114.28 106.19 1ld9 n THR 73 Ca 0.08 -1.41 -0.22 0.00 -2.27 0.00 0.00 64.05 60.24 1ld9 n THR 73 Cb 0.50 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.32 1ld9 n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ld9 h GLU 74 N 0.00 0.17 0.00 -0.78 5.08 -1.93 -3.44 114.58 113.67 1ld9 h GLU 74 Ca -0.14 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ld9 h GLU 74 Cb 0.72 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ld9 h GLU 74 CO 0.21 1.14 0.00 0.25 -1.00 0.00 0.00 179.01 179.61 1ld9 n THR 75 N -3.88 0.00 -1.81 1.13 -2.24 -1.26 -5.01 114.28 101.21 1ld9 n THR 75 Ca -0.31 0.61 -0.42 0.00 -2.27 0.00 0.00 64.05 61.66 1ld9 n THR 75 Cb 0.90 -1.21 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 1ld9 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ld9 s ASP 76 N -1.65 6.44 -0.13 3.42 1.01 -1.26 -5.05 116.67 119.45 1ld9 s ASP 76 Ca 0.00 2.83 -0.13 0.00 0.71 0.00 0.00 52.55 55.96 1ld9 s ASP 76 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1ld9 s ASP 76 CO 0.00 -0.90 0.28 -0.89 0.21 0.00 0.00 175.17 173.87 1ld9 s THR 77 N 0.65 5.29 0.13 -1.27 2.01 -1.26 -4.70 115.64 116.50 1ld9 s THR 77 Ca 0.68 0.53 0.11 0.00 0.31 0.00 0.00 61.69 63.33 1ld9 s THR 77 Cb -0.47 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1ld9 s THR 77 CO 0.38 0.45 -0.27 -0.31 -0.69 0.00 0.00 174.62 174.19 1ld9 s TYR 78 N 0.02 2.31 0.23 4.92 1.51 -0.87 -2.59 117.35 122.88 1ld9 s TYR 78 Ca 0.17 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 1ld9 s TYR 78 Cb -0.13 -1.25 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1ld9 s TYR 78 CO 0.05 0.35 0.48 0.00 -1.11 0.00 0.00 175.55 175.31 1ld9 s ALA 79 N -1.09 -0.37 0.19 3.71 0.00 -0.14 -2.50 121.76 121.57 1ld9 s ALA 79 Ca 0.14 -0.75 0.10 0.00 0.00 0.00 0.00 51.96 51.45 1ld9 s ALA 79 Cb -0.10 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1ld9 s ALA 79 CO 0.06 -0.84 -0.18 0.00 0.00 0.00 0.00 175.76 174.81 1ld9 s ARG 81 N -2.76 0.11 -0.28 0.00 3.52 0.25 -0.07 118.95 119.72 1ld9 s ARG 81 Ca 0.23 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.38 1ld9 s ARG 81 Cb -0.08 -0.17 0.06 0.00 -1.56 0.00 0.00 34.95 33.20 1ld9 s ARG 81 CO 0.12 -0.23 -0.07 0.08 -0.81 0.00 0.00 175.30 174.39 1ld9 s VAL 82 N 1.76 2.39 0.07 7.11 1.01 0.42 -0.10 120.40 133.07 1ld9 s VAL 82 Ca -0.04 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.08 1ld9 s VAL 82 Cb -0.12 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1ld9 s VAL 82 CO -0.07 -0.09 0.71 -0.54 0.00 0.00 0.00 175.10 175.11 1ld9 s LYS 83 N 1.12 4.44 -0.25 2.72 3.01 -0.06 -3.32 119.74 127.41 1ld9 s LYS 83 Ca -0.07 0.99 -0.23 0.00 -1.01 0.00 0.00 55.97 55.65 1ld9 s LYS 83 Cb -0.20 -3.31 0.07 0.00 -1.01 0.00 0.00 37.83 33.37 1ld9 s LYS 83 CO -0.04 0.43 0.67 -1.58 0.51 0.00 0.00 175.35 175.34 1ld9 s HIS 84 N -0.53 -0.76 -1.45 3.18 2.46 -1.26 -0.18 115.29 116.75 1ld9 s HIS 84 Ca 0.35 1.82 0.00 0.00 0.47 0.00 0.00 55.06 57.70 1ld9 s HIS 84 Cb -0.21 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.51 1ld9 s HIS 84 CO 0.22 -0.36 0.72 -0.25 -2.47 0.00 0.00 174.74 172.60 1ld9 n ASP 85 N 2.80 0.00 0.03 9.88 8.00 -1.26 -1.74 116.55 134.26 1ld9 n ASP 85 Ca -0.14 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.44 1ld9 n ASP 85 Cb 0.55 -0.23 -0.14 0.00 -0.02 0.00 0.00 41.12 41.28 1ld9 n ASP 85 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ld9 h SER 86 N 0.00 0.29 -3.55 -2.24 4.64 -1.91 -3.46 113.55 107.33 1ld9 h SER 86 Ca 0.00 -0.49 -0.52 0.00 -0.47 0.00 0.00 61.79 60.31 1ld9 h SER 86 Cb 0.02 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1ld9 h SER 86 CO 0.00 1.42 0.25 -0.04 -0.87 0.00 0.00 176.83 177.59 1ld9 s MET 87 N -2.60 4.63 0.00 4.77 -1.94 -0.71 -4.94 119.30 118.51 1ld9 s MET 87 Ca -0.11 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1ld9 s MET 87 Cb 0.07 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1ld9 s MET 87 CO 0.83 0.40 0.85 0.00 -0.01 0.00 0.00 175.02 177.09 1ld9 n ALA 88 N 2.20 -0.38 -2.49 3.03 0.00 -1.26 -4.75 120.51 116.86 1ld9 n ALA 88 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1ld9 n ALA 88 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1ld9 n ALA 88 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ld9 s GLU 89 N -2.49 2.39 1.14 0.00 -6.30 -1.26 -5.02 118.70 107.16 1ld9 s GLU 89 Ca 0.00 -1.56 -0.16 0.00 -2.50 0.00 0.00 54.97 50.75 1ld9 s GLU 89 Cb 0.00 -2.19 0.18 0.00 0.00 0.00 0.00 34.13 32.12 1ld9 s GLU 89 CO 0.00 0.07 0.43 -2.30 0.02 0.00 0.00 175.26 173.48 1ld9 n PRO 90 N -1.20 -1.95 -4.26 4.30 -0.02 -1.26 -4.97 135.00 125.65 1ld9 n PRO 90 Ca -0.02 -0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 60.58 1ld9 n PRO 90 Cb 0.61 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 32.04 1ld9 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ld9 s LYS 91 N -3.84 3.04 -0.13 -0.52 2.20 -1.21 -4.99 119.74 114.29 1ld9 s LYS 91 Ca 0.61 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 55.43 1ld9 s LYS 91 Cb -0.18 -2.57 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1ld9 s LYS 91 CO 0.66 -0.15 -0.20 0.99 -0.36 0.00 0.00 175.35 176.28 1ld9 s THR 92 N 1.17 1.91 0.03 3.43 2.01 -1.26 -0.44 115.64 122.50 1ld9 s THR 92 Ca 0.02 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1ld9 s THR 92 Cb -0.14 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.65 1ld9 s THR 92 CO -0.09 0.52 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.44 1ld9 s VAL 93 N 0.82 1.88 0.04 3.82 1.01 0.91 -4.95 120.40 123.92 1ld9 s VAL 93 Ca -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 1ld9 s VAL 93 Cb -0.16 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 1ld9 s VAL 93 CO -0.01 0.33 0.26 -0.31 0.00 0.00 0.00 175.10 175.37 1ld9 s TYR 94 N -0.74 3.54 -0.19 5.22 2.02 -1.26 -1.38 117.35 124.56 1ld9 s TYR 94 Ca 0.09 0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 56.97 1ld9 s TYR 94 Cb -0.09 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1ld9 s TYR 94 CO 0.01 0.58 1.01 -0.46 -1.57 0.00 0.00 175.55 175.12 1ld9 s TRP 95 N -1.41 3.40 -0.15 2.71 -0.00 -1.04 -4.70 118.94 117.75 1ld9 s TRP 95 Ca 0.31 1.48 -0.01 0.00 -0.00 0.00 0.00 56.10 57.88 1ld9 s TRP 95 Cb -0.13 -3.22 -0.01 0.00 -0.00 0.00 0.00 33.47 30.11 1ld9 s TRP 95 CO 0.21 -0.38 -0.12 0.34 -0.00 0.00 0.00 176.95 176.99 1ld9 s ASP 96 N 1.17 4.02 0.66 5.86 2.15 -1.26 -4.84 116.67 124.44 1ld9 s ASP 96 Ca 0.44 -0.35 0.32 0.00 0.43 0.00 0.00 52.55 53.40 1ld9 s ASP 96 Cb -0.16 -1.63 1.76 0.00 -0.30 0.00 0.00 42.92 42.60 1ld9 s ASP 96 CO 0.10 0.13 2.00 0.03 -0.17 0.00 0.00 175.17 177.26 1ld9 h ARG 97 N 7.00 0.00 0.00 4.34 3.08 -1.97 -2.06 114.38 124.77 1ld9 h ARG 97 Ca -0.29 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.57 1ld9 h ARG 97 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1ld9 h ARG 97 CO 0.57 0.00 -1.92 -0.25 -1.07 0.00 0.00 179.97 177.30 1ld9 n ASP 98 N -2.97 0.30 -0.88 7.04 8.00 -1.26 -5.00 116.55 121.79 1ld9 n ASP 98 Ca -0.02 0.13 0.12 0.00 0.71 0.00 0.00 54.79 55.74 1ld9 n ASP 98 Cb 0.34 1.01 0.17 0.00 -0.02 0.00 0.00 41.12 42.62 1ld9 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04