#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz9 n ILE 1 N 0.00 2.03 -3.01 2.02 -0.00 -1.26 -4.92 119.36 114.21 1bz9 n ILE 1 Ca 0.00 -0.61 -0.37 0.00 -0.00 0.00 0.00 62.75 61.77 1bz9 n ILE 1 Cb 0.00 -1.44 -0.06 0.00 -0.00 0.00 0.00 39.64 38.14 1bz9 n ILE 1 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1bz9 s GLN 2 N -0.24 4.38 -0.05 6.28 -1.52 -1.26 -4.31 119.66 122.95 1bz9 s GLN 2 Ca 0.04 1.02 0.02 0.00 -1.95 0.00 0.00 55.36 54.49 1bz9 s GLN 2 Cb 0.03 -2.93 0.01 0.00 -0.22 0.00 0.00 33.01 29.90 1bz9 s GLN 2 CO -0.00 0.40 -0.11 0.21 -0.25 0.00 0.00 175.29 175.54 1bz9 s LYS 3 N -1.84 1.37 -0.19 2.91 2.20 0.15 -4.93 119.74 119.41 1bz9 s LYS 3 Ca 0.43 -0.37 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 1bz9 s LYS 3 Cb -0.18 -1.20 0.00 0.00 -1.51 0.00 0.00 37.83 34.94 1bz9 s LYS 3 CO 0.22 0.07 1.05 0.95 -0.36 0.00 0.00 175.35 177.28 1bz9 s THR 4 N 0.46 4.68 0.49 3.43 -4.23 -1.26 -2.93 115.64 116.28 1bz9 s THR 4 Ca -0.09 2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 62.20 1bz9 s THR 4 Cb -0.13 -4.29 -0.08 0.00 1.34 0.00 0.00 72.50 69.34 1bz9 s THR 4 CO 0.02 -0.13 0.99 -0.81 -0.54 0.00 0.00 174.62 174.15 1bz9 n PRO 5 N 6.00 1.20 -4.40 3.99 -0.04 -1.26 -4.70 135.00 135.79 1bz9 n PRO 5 Ca 0.11 0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 63.68 1bz9 n PRO 5 Cb 0.47 -2.10 -0.14 0.00 -0.04 0.00 0.00 33.50 31.68 1bz9 n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1bz9 s GLN 6 N -2.30 3.37 -0.05 0.54 -1.52 0.06 -4.90 119.66 114.86 1bz9 s GLN 6 Ca 0.68 -0.67 0.02 0.00 -1.95 0.00 0.00 55.36 53.44 1bz9 s GLN 6 Cb -0.49 -2.77 -0.03 0.00 -0.22 0.00 0.00 33.01 29.49 1bz9 s GLN 6 CO 0.53 0.04 -0.09 0.42 -0.25 0.00 0.00 175.29 175.95 1bz9 s ILE 7 N 0.81 3.52 -0.15 1.08 1.01 -1.26 -1.23 121.20 124.98 1bz9 s ILE 7 Ca -0.04 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1bz9 s ILE 7 Cb -0.15 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1bz9 s ILE 7 CO 0.01 0.57 0.04 -1.10 0.00 0.00 0.00 174.94 174.46 1bz9 s GLN 8 N -0.86 0.46 -0.21 2.79 -0.21 -1.14 -5.00 119.66 115.49 1bz9 s GLN 8 Ca 0.13 -0.15 -0.09 0.00 0.02 0.00 0.00 55.36 55.27 1bz9 s GLN 8 Cb -0.11 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.22 1bz9 s GLN 8 CO 0.02 -0.54 0.10 0.08 -2.12 0.00 0.00 175.29 172.83 1bz9 s VAL 9 N 1.97 5.04 0.06 1.09 1.01 -1.26 -1.53 120.40 126.78 1bz9 s VAL 9 Ca 0.02 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1bz9 s VAL 9 Cb -0.15 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 33.00 1bz9 s VAL 9 CO -0.07 0.42 0.70 -0.72 0.00 0.00 0.00 175.10 175.43 1bz9 s TYR 10 N 0.65 -0.51 0.33 5.22 1.13 -0.47 -4.64 117.35 119.07 1bz9 s TYR 10 Ca 0.06 0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 56.17 1bz9 s TYR 10 Cb -0.13 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.21 1bz9 s TYR 10 CO 0.01 -0.70 0.57 -1.54 -2.51 0.00 0.00 175.55 171.37 1bz9 s SER 11 N -2.29 6.35 0.25 -0.18 1.04 -1.26 0.11 113.70 117.71 1bz9 s SER 11 Ca -0.01 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.04 1bz9 s SER 11 Cb -0.01 -2.09 0.32 0.00 0.10 0.00 0.00 66.02 64.34 1bz9 s SER 11 CO -0.07 -0.28 1.63 -0.09 0.98 0.00 0.00 173.24 175.42 1bz9 h ARG 12 N 1.09 0.38 -5.80 4.02 2.43 -1.41 -3.45 114.38 111.65 1bz9 h ARG 12 Ca -0.49 -0.20 -0.50 0.00 -0.81 0.00 0.00 59.98 57.99 1bz9 h ARG 12 Cb 1.21 0.01 -0.16 0.00 -0.42 0.00 0.00 29.97 30.60 1bz9 h ARG 12 CO 0.63 0.75 -0.76 -1.01 -1.51 0.00 0.00 179.97 178.07 1bz9 s HIS 13 N -4.13 1.79 0.19 2.20 3.76 -1.26 -5.05 115.29 112.78 1bz9 s HIS 13 Ca -0.06 -0.50 -0.31 0.00 -0.15 0.00 0.00 55.06 54.04 1bz9 s HIS 13 Cb 0.13 -0.86 -0.11 0.00 1.11 0.00 0.00 32.58 32.85 1bz9 s HIS 13 CO 0.80 0.36 1.61 -1.25 -0.85 0.00 0.00 174.74 175.40 1bz9 s PRO 14 N -3.14 4.18 0.42 8.40 0.04 -1.26 -4.93 135.00 138.72 1bz9 s PRO 14 Ca 0.19 2.45 -0.26 0.00 0.04 0.00 0.00 61.00 63.41 1bz9 s PRO 14 Cb -0.04 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 1bz9 s PRO 14 CO 0.07 -0.64 1.40 -1.25 0.04 0.00 0.00 177.00 176.62 1bz9 s PRO 15 N 0.94 3.86 -0.18 0.56 0.04 -1.26 -5.05 135.00 133.91 1bz9 s PRO 15 Ca 0.70 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 64.06 1bz9 s PRO 15 Cb -0.46 -2.75 0.09 0.00 0.04 0.00 0.00 34.50 31.42 1bz9 s PRO 15 CO 0.33 -0.66 0.25 -2.00 0.04 0.00 0.00 177.00 174.97 1bz9 s GLU 16 N -2.31 0.19 -0.17 4.56 2.12 -1.26 -5.11 118.70 116.73 1bz9 s GLU 16 Ca 0.58 0.42 -0.39 0.00 0.36 0.00 0.00 54.97 55.94 1bz9 s GLU 16 Cb -0.42 -0.73 -0.16 0.00 0.26 0.00 0.00 34.13 33.08 1bz9 s GLU 16 CO 0.55 -0.53 1.64 0.09 -0.54 0.00 0.00 175.26 176.47 1bz9 n ASN 17 N 5.33 2.23 0.00 -1.70 4.13 -1.23 -0.86 115.26 123.16 1bz9 n ASN 17 Ca -0.05 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.29 1bz9 n ASN 17 Cb 0.50 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1bz9 n ASN 17 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bz9 n GLY 18 N 3.74 3.36 3.62 7.41 0.00 0.05 -4.97 105.19 118.40 1bz9 n GLY 18 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1bz9 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bz9 s LYS 19 N -0.73 4.03 0.65 1.61 2.36 -0.04 -4.95 119.74 122.68 1bz9 s LYS 19 Ca 0.00 0.63 -0.17 0.00 -2.55 0.00 0.00 55.97 53.88 1bz9 s LYS 19 Cb 0.00 -3.69 -0.06 0.00 -1.05 0.00 0.00 37.83 33.03 1bz9 s LYS 19 CO 0.00 -0.58 0.57 -2.30 1.55 0.00 0.00 175.35 174.59 1bz9 n PRO 20 N 6.03 0.44 -0.64 4.03 -0.02 -1.26 -4.20 135.00 139.38 1bz9 n PRO 20 Ca 0.03 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1bz9 n PRO 20 Cb 0.48 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1bz9 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1bz9 n ASN 21 N -0.05 0.00 -3.84 2.55 2.85 0.11 -4.96 115.26 111.92 1bz9 n ASN 21 Ca 0.11 -0.63 -0.20 0.00 -0.11 0.00 0.00 54.58 53.76 1bz9 n ASN 21 Cb 0.49 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.34 1bz9 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1bz9 s ILE 22 N -2.97 0.39 -0.11 -1.44 1.01 -1.26 -2.02 121.20 114.80 1bz9 s ILE 22 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.48 1bz9 s ILE 22 Cb 0.00 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1bz9 s ILE 22 CO 0.00 0.21 0.41 -0.22 0.00 0.00 0.00 174.94 175.34 1bz9 s LEU 23 N 1.19 4.30 0.07 2.97 2.96 0.11 -0.95 118.68 129.33 1bz9 s LEU 23 Ca -0.07 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.63 1bz9 s LEU 23 Cb -0.14 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.94 1bz9 s LEU 23 CO -0.02 0.08 -0.06 0.20 -1.32 0.00 0.00 176.35 175.24 1bz9 s ASN 24 N 0.31 4.66 -0.34 3.68 0.01 0.30 -1.51 114.94 122.04 1bz9 s ASN 24 Ca 0.23 -0.25 -0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1bz9 s ASN 24 Cb -0.15 -1.02 0.11 0.00 0.41 0.00 0.00 41.25 40.60 1bz9 s ASN 24 CO 0.09 0.21 0.13 0.00 -1.51 0.00 0.00 177.10 176.02 1bz9 s TYR 26 N 1.32 3.09 0.03 0.00 5.04 -0.59 -0.33 117.35 125.92 1bz9 s TYR 26 Ca 0.12 -1.28 -0.24 0.00 -2.44 0.00 0.00 57.07 53.23 1bz9 s TYR 26 Cb -0.19 -4.23 -0.05 0.00 0.35 0.00 0.00 41.96 37.83 1bz9 s TYR 26 CO -0.18 -1.46 0.72 0.08 -1.34 0.00 0.00 175.55 173.36 1bz9 s VAL 27 N 2.71 4.77 0.28 3.14 1.01 -0.46 -2.89 120.40 128.96 1bz9 s VAL 27 Ca 0.29 1.52 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1bz9 s VAL 27 Cb -0.08 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1bz9 s VAL 27 CO -0.06 0.38 0.31 -0.89 0.00 0.00 0.00 175.10 174.85 1bz9 s THR 28 N -0.12 0.00 -1.46 3.92 2.01 -0.37 -0.80 115.64 118.82 1bz9 s THR 28 Ca 0.36 -1.81 -0.10 0.00 0.31 0.00 0.00 61.69 60.45 1bz9 s THR 28 Cb -0.20 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.86 1bz9 s THR 28 CO 0.21 0.00 0.96 0.00 -0.69 0.00 0.00 174.62 175.11 1bz9 n GLN 29 N -0.45 -6.19 -4.43 4.92 3.00 -0.69 -0.76 117.38 112.77 1bz9 n GLN 29 Ca 0.03 0.72 -0.24 0.00 -0.01 0.00 0.00 57.00 57.50 1bz9 n GLN 29 Cb 0.63 -5.66 -0.11 0.00 0.00 0.00 0.00 30.24 25.10 1bz9 n GLN 29 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.06 176.47 1bz9 s PHE 30 N -3.26 2.19 -0.28 1.08 -0.12 -1.12 -4.01 117.98 112.46 1bz9 s PHE 30 Ca 0.56 -0.38 -0.19 0.00 -0.05 0.00 0.00 56.93 56.88 1bz9 s PHE 30 Cb -0.27 -1.01 0.10 0.00 -0.63 0.00 0.00 43.02 41.21 1bz9 s PHE 30 CO 0.70 0.57 0.81 -1.58 -0.05 0.00 0.00 175.22 175.67 1bz9 s HIS 31 N -2.23 -0.82 1.03 3.49 2.46 -1.15 -1.35 115.29 116.73 1bz9 s HIS 31 Ca 0.25 1.74 -0.12 0.00 0.47 0.00 0.00 55.06 57.40 1bz9 s HIS 31 Cb -0.06 0.46 0.21 0.00 -0.13 0.00 0.00 32.58 33.06 1bz9 s HIS 31 CO 0.12 -0.40 1.08 -2.14 -2.47 0.00 0.00 174.74 170.93 1bz9 s PRO 32 N 1.12 0.11 0.00 2.88 0.02 -1.26 0.29 135.00 138.16 1bz9 s PRO 32 Ca -0.06 1.11 0.09 0.00 0.02 0.00 0.00 61.00 62.17 1bz9 s PRO 32 Cb -0.05 -1.65 0.57 0.00 0.02 0.00 0.00 34.50 33.39 1bz9 s PRO 32 CO -0.13 -3.11 0.99 -0.35 -0.33 0.00 0.00 177.00 174.07 1bz9 n PRO 33 N -4.52 0.41 -3.44 5.54 -0.04 -1.26 -4.62 135.00 127.06 1bz9 n PRO 33 Ca 0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 1bz9 n PRO 33 Cb 0.53 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1bz9 n PRO 33 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1bz9 s HIS 34 N -2.00 3.23 0.22 0.54 2.46 -1.26 -5.04 115.29 113.43 1bz9 s HIS 34 Ca 0.14 0.20 -0.03 0.00 0.47 0.00 0.00 55.06 55.84 1bz9 s HIS 34 Cb 0.07 -2.55 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 1bz9 s HIS 34 CO 0.11 -0.28 0.21 -1.50 -2.47 0.00 0.00 174.74 170.82 1bz9 s ILE 35 N 1.98 0.00 -0.15 0.89 2.07 -1.26 -4.57 121.20 120.16 1bz9 s ILE 35 Ca 0.12 -1.88 -0.04 0.00 -1.41 0.00 0.00 60.65 57.44 1bz9 s ILE 35 Cb -0.16 -2.45 0.07 0.00 0.13 0.00 0.00 42.46 40.05 1bz9 s ILE 35 CO 0.11 0.00 0.15 -1.61 -1.91 0.00 0.00 174.94 171.68 1bz9 s GLU 36 N -4.07 0.08 -0.17 3.50 2.02 -0.35 -5.00 118.70 114.72 1bz9 s GLU 36 Ca 0.36 0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.54 1bz9 s GLU 36 Cb 0.05 -1.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 1bz9 s GLU 36 CO 0.12 -0.54 -0.06 0.42 0.02 0.00 0.00 175.26 175.22 1bz9 s ILE 37 N 2.24 3.55 -0.10 -1.63 1.01 -1.26 -0.77 121.20 124.24 1bz9 s ILE 37 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1bz9 s ILE 37 Cb -0.15 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1bz9 s ILE 37 CO -0.09 0.48 -0.16 -1.10 0.00 0.00 0.00 174.94 174.07 1bz9 s GLN 38 N 0.65 3.11 -0.21 2.79 -0.21 0.99 -4.96 119.66 121.82 1bz9 s GLN 38 Ca -0.03 -0.75 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 1bz9 s GLN 38 Cb -0.15 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.33 1bz9 s GLN 38 CO 0.02 0.29 0.13 -1.64 -2.12 0.00 0.00 175.29 171.97 1bz9 s MET 39 N 0.13 4.13 0.37 2.91 -1.94 -1.26 0.37 119.30 124.01 1bz9 s MET 39 Ca -0.08 -0.25 0.08 0.00 -1.71 0.00 0.00 55.69 53.73 1bz9 s MET 39 Cb -0.15 -3.44 -0.06 0.00 2.01 0.00 0.00 34.83 33.19 1bz9 s MET 39 CO 0.05 0.22 0.05 -0.51 -0.01 0.00 0.00 175.02 174.82 1bz9 s LEU 40 N 0.59 2.98 -0.19 -0.03 1.43 0.66 -0.56 118.68 123.55 1bz9 s LEU 40 Ca 0.07 -1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 52.01 1bz9 s LEU 40 Cb -0.12 -1.26 0.09 0.00 0.03 0.00 0.00 46.19 44.93 1bz9 s LEU 40 CO 0.00 -0.35 0.40 -0.75 0.23 0.00 0.00 176.35 175.88 1bz9 s LYS 41 N -3.75 0.31 -1.45 1.70 2.20 -0.20 -1.80 119.74 116.75 1bz9 s LYS 41 Ca 0.36 0.98 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1bz9 s LYS 41 Cb 0.03 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1bz9 s LYS 41 CO 0.20 -0.28 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1bz9 n ASN 42 N 5.39 -4.31 0.00 1.43 3.02 0.09 -0.16 115.26 120.72 1bz9 n ASN 42 Ca -0.08 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1bz9 n ASN 42 Cb 0.49 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1bz9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bz9 n GLY 43 N -0.59 0.67 3.31 7.41 0.00 -1.26 -5.05 105.19 109.67 1bz9 n GLY 43 Ca -0.17 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 1bz9 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bz9 s LYS 44 N -0.68 2.88 0.11 1.61 2.20 0.77 -5.08 119.74 121.55 1bz9 s LYS 44 Ca 0.00 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.48 1bz9 s LYS 44 Cb 0.00 -2.34 -0.10 0.00 -1.51 0.00 0.00 37.83 33.88 1bz9 s LYS 44 CO 0.00 0.32 1.87 0.21 -0.36 0.00 0.00 175.35 177.39 1bz9 s LYS 45 N 0.02 4.13 -0.13 4.03 2.20 -1.26 -1.03 119.74 127.69 1bz9 s LYS 45 Ca -0.07 2.62 -0.29 0.00 -0.36 0.00 0.00 55.97 57.86 1bz9 s LYS 45 Cb -0.15 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.43 1bz9 s LYS 45 CO 0.05 -0.87 1.28 0.42 -0.36 0.00 0.00 175.35 175.87 1bz9 s ILE 46 N 3.11 4.21 0.12 5.43 1.01 0.27 -4.91 121.20 130.43 1bz9 s ILE 46 Ca 0.83 1.48 -0.34 0.00 0.00 0.00 0.00 60.65 62.62 1bz9 s ILE 46 Cb -0.46 -3.95 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 1bz9 s ILE 46 CO 0.38 -0.10 1.56 1.55 0.00 0.00 0.00 174.94 178.32 1bz9 h PRO 47 N 8.15 -0.59 -4.28 2.79 0.13 -1.91 -3.38 132.00 132.91 1bz9 h PRO 47 Ca -0.29 0.04 -0.73 0.00 -0.87 0.00 0.00 66.00 64.15 1bz9 h PRO 47 Cb 1.12 0.13 -0.27 0.00 0.13 0.00 0.00 31.00 32.12 1bz9 h PRO 47 CO 0.95 -0.39 -0.36 0.21 -0.23 0.00 0.00 178.00 178.18 1bz9 s LYS 48 N -5.74 2.69 -0.24 0.86 2.20 -1.26 -5.01 119.74 113.24 1bz9 s LYS 48 Ca -0.16 -1.64 -0.02 0.00 -0.36 0.00 0.00 55.97 53.80 1bz9 s LYS 48 Cb 0.07 -4.01 0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1bz9 s LYS 48 CO 0.61 -1.16 -0.07 0.08 -0.36 0.00 0.00 175.35 174.46 1bz9 s VAL 49 N 1.47 2.91 -0.18 4.02 1.01 -1.26 -4.65 120.40 123.72 1bz9 s VAL 49 Ca 0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1bz9 s VAL 49 Cb -0.26 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1bz9 s VAL 49 CO 0.02 0.27 0.46 -1.61 0.00 0.00 0.00 175.10 174.23 1bz9 s GLU 50 N 1.35 4.21 0.06 2.72 2.02 0.00 -4.92 118.70 124.16 1bz9 s GLU 50 Ca 0.02 0.33 0.04 0.00 0.02 0.00 0.00 54.97 55.37 1bz9 s GLU 50 Cb -0.16 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 1bz9 s GLU 50 CO -0.05 -0.04 -0.00 -1.64 0.02 0.00 0.00 175.26 173.55 1bz9 s MET 51 N 1.28 2.61 0.76 1.61 -1.94 -1.26 -0.61 119.30 121.75 1bz9 s MET 51 Ca 0.22 -0.77 -0.10 0.00 -1.71 0.00 0.00 55.69 53.33 1bz9 s MET 51 Cb -0.15 -2.57 0.07 0.00 2.01 0.00 0.00 34.83 34.18 1bz9 s MET 51 CO 0.09 0.56 1.11 -1.54 -0.01 0.00 0.00 175.02 175.23 1bz9 s SER 52 N -2.08 4.72 0.58 3.03 1.04 -0.31 -5.00 113.70 115.67 1bz9 s SER 52 Ca 0.24 0.71 -0.17 0.00 0.48 0.00 0.00 55.95 57.21 1bz9 s SER 52 Cb -0.12 -1.30 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 1bz9 s SER 52 CO 0.16 -1.73 1.08 -1.81 0.98 0.00 0.00 173.24 171.91 1bz9 s ASP 53 N -4.53 5.75 -0.01 7.02 1.01 -1.26 -4.70 116.67 119.94 1bz9 s ASP 53 Ca 0.61 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 1bz9 s ASP 53 Cb -0.11 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1bz9 s ASP 53 CO 0.48 -1.19 1.40 -0.04 0.21 0.00 0.00 175.17 176.03 1bz9 s MET 54 N -3.78 4.28 0.08 8.23 -1.94 -1.26 -4.83 119.30 120.07 1bz9 s MET 54 Ca 0.67 1.96 0.02 0.00 -1.71 0.00 0.00 55.69 56.63 1bz9 s MET 54 Cb -0.18 -3.60 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 1bz9 s MET 54 CO 0.33 -0.59 -0.07 -1.12 -0.01 0.00 0.00 175.02 173.55 1bz9 s SER 55 N 1.94 1.04 0.15 3.03 0.01 -1.22 -5.04 113.70 113.61 1bz9 s SER 55 Ca 0.64 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1bz9 s SER 55 Cb -0.31 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1bz9 s SER 55 CO 0.26 -0.35 -0.11 0.72 0.41 0.00 0.00 173.24 174.17 1bz9 s PHE 56 N -2.66 1.31 0.11 2.43 -0.12 -1.26 -1.29 117.98 116.50 1bz9 s PHE 56 Ca 0.03 -0.74 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 1bz9 s PHE 56 Cb -0.01 -0.66 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 1bz9 s PHE 56 CO -0.02 0.11 0.10 -1.13 -0.05 0.00 0.00 175.22 174.22 1bz9 n SER 57 N -0.20 1.19 0.06 1.98 3.41 -0.03 -4.98 113.62 115.05 1bz9 n SER 57 Ca -0.10 -1.37 0.19 0.00 -0.26 0.00 0.00 58.87 57.33 1bz9 n SER 57 Cb 0.60 -0.02 0.72 0.00 -0.26 0.00 0.00 64.21 65.26 1bz9 n SER 57 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1bz9 h LYS 58 N 0.00 0.00 -0.82 4.33 2.10 -2.02 -0.10 116.57 120.06 1bz9 h LYS 58 Ca -0.07 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.46 1bz9 h LYS 58 Cb 0.26 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.51 1bz9 h LYS 58 CO 0.11 0.00 0.16 -0.40 -2.00 0.00 0.00 179.45 177.31 1bz9 n ASP 59 N -4.17 3.90 0.00 7.07 5.68 -1.26 -4.89 116.55 122.88 1bz9 n ASP 59 Ca 0.08 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.59 1bz9 n ASP 59 Cb 0.54 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1bz9 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bz9 n TRP 60 N 0.06 0.00 -2.69 2.11 7.02 -0.05 -4.97 117.44 118.92 1bz9 n TRP 60 Ca 0.26 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.40 1bz9 n TRP 60 Cb 1.02 -0.63 -0.05 0.00 -2.42 0.00 0.00 31.31 29.23 1bz9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1bz9 s SER 61 N -2.76 6.77 0.43 -0.99 1.04 -1.26 -4.69 113.70 112.24 1bz9 s SER 61 Ca 0.00 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.26 1bz9 s SER 61 Cb 0.00 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.55 1bz9 s SER 61 CO 0.00 -0.48 0.64 -0.36 0.98 0.00 0.00 173.24 174.02 1bz9 s PHE 62 N -1.99 3.30 0.03 5.02 0.40 -0.46 -0.86 117.98 123.43 1bz9 s PHE 62 Ca 0.62 0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 57.10 1bz9 s PHE 62 Cb -0.14 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.20 1bz9 s PHE 62 CO 0.18 -0.24 0.28 1.52 0.70 0.00 0.00 175.22 177.66 1bz9 s TYR 63 N -2.50 -0.08 -0.04 0.36 1.13 -0.41 -1.71 117.35 114.10 1bz9 s TYR 63 Ca 0.46 -0.03 -0.21 0.00 -1.41 0.00 0.00 57.07 55.88 1bz9 s TYR 63 Cb -0.10 0.06 0.04 0.00 -1.10 0.00 0.00 41.96 40.87 1bz9 s TYR 63 CO 0.38 -0.46 0.47 -1.50 -2.51 0.00 0.00 175.55 171.92 1bz9 s ILE 64 N -2.28 0.03 -0.27 -3.49 2.07 0.02 -3.40 121.20 113.88 1bz9 s ILE 64 Ca -0.07 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1bz9 s ILE 64 Cb -0.02 -0.77 0.05 0.00 0.13 0.00 0.00 42.46 41.85 1bz9 s ILE 64 CO -0.02 -0.14 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.59 1bz9 s LEU 65 N -1.17 3.55 -0.20 8.50 2.96 -1.26 -1.35 118.68 129.70 1bz9 s LEU 65 Ca -0.12 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.47 1bz9 s LEU 65 Cb -0.03 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1bz9 s LEU 65 CO 0.06 -0.20 0.13 0.00 -1.32 0.00 0.00 176.35 175.02 1bz9 s ALA 66 N 1.21 3.68 0.17 5.97 0.00 0.56 -1.17 121.76 132.19 1bz9 s ALA 66 Ca -0.05 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1bz9 s ALA 66 Cb -0.19 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 1bz9 s ALA 66 CO -0.03 0.16 0.03 -3.38 0.00 0.00 0.00 175.76 172.54 1bz9 s HIS 67 N 0.35 1.14 0.16 0.00 -3.43 0.22 0.13 115.29 113.86 1bz9 s HIS 67 Ca 0.08 -1.11 -0.24 0.00 -0.80 0.00 0.00 55.06 52.99 1bz9 s HIS 67 Cb -0.11 -0.65 0.06 0.00 -1.43 0.00 0.00 32.58 30.46 1bz9 s HIS 67 CO -0.02 -0.32 0.75 -0.08 -2.00 0.00 0.00 174.74 173.07 1bz9 s THR 68 N -3.79 0.00 -0.02 -5.38 -1.32 -0.57 -0.82 115.64 103.74 1bz9 s THR 68 Ca 0.26 -0.38 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 1bz9 s THR 68 Cb 0.07 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.58 1bz9 s THR 68 CO 0.04 0.00 0.75 -1.61 -2.21 0.00 0.00 174.62 171.60 1bz9 s GLU 69 N -3.58 4.47 0.05 7.08 0.41 -1.26 -0.71 118.70 125.15 1bz9 s GLU 69 Ca 0.06 1.00 -0.08 0.00 -0.41 0.00 0.00 54.97 55.55 1bz9 s GLU 69 Cb -0.02 -3.42 -0.01 0.00 -1.78 0.00 0.00 34.13 28.90 1bz9 s GLU 69 CO -0.04 0.12 0.15 -0.59 -0.49 0.00 0.00 175.26 174.41 1bz9 s PHE 70 N 0.55 0.16 -0.32 1.61 -0.71 -0.86 -4.85 117.98 113.56 1bz9 s PHE 70 Ca 0.40 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.80 1bz9 s PHE 70 Cb -0.19 -0.10 0.10 0.00 -1.21 0.00 0.00 43.02 41.62 1bz9 s PHE 70 CO 0.21 -0.44 0.08 0.99 -1.34 0.00 0.00 175.22 174.72 1bz9 s THR 71 N -3.08 1.32 0.18 -4.49 2.01 -1.26 0.08 115.64 110.40 1bz9 s THR 71 Ca -0.01 -1.71 -0.32 0.00 0.31 0.00 0.00 61.69 59.97 1bz9 s THR 71 Cb 0.01 -1.99 -0.11 0.00 0.01 0.00 0.00 72.50 70.42 1bz9 s THR 71 CO -0.07 -0.65 1.72 -2.16 -0.69 0.00 0.00 174.62 172.76 1bz9 s PRO 72 N 1.38 4.14 0.35 4.92 0.04 -1.26 -4.73 135.00 139.84 1bz9 s PRO 72 Ca 0.10 2.56 0.03 0.00 0.04 0.00 0.00 61.00 63.74 1bz9 s PRO 72 Cb -0.18 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1bz9 s PRO 72 CO -0.20 -0.75 0.13 0.95 0.04 0.00 0.00 177.00 177.17 1bz9 s THR 73 N 1.46 0.61 -0.08 1.26 -4.23 -1.26 -0.77 115.64 112.62 1bz9 s THR 73 Ca 0.75 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1bz9 s THR 73 Cb -0.48 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.81 1bz9 s THR 73 CO 0.33 0.00 1.26 -0.33 -0.54 0.00 0.00 174.62 175.33 1bz9 h GLU 74 N 2.02 0.00 0.00 3.99 5.08 -1.98 -3.38 114.58 120.31 1bz9 h GLU 74 Ca -0.36 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1bz9 h GLU 74 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1bz9 h GLU 74 CO 0.57 0.58 -0.26 1.15 -1.00 0.00 0.00 179.01 180.06 1bz9 h THR 75 N 0.00 1.62 -3.86 1.13 2.02 -2.01 -3.47 112.91 108.35 1bz9 h THR 75 Ca -0.05 -2.32 -0.51 0.00 0.77 0.00 0.00 66.41 64.30 1bz9 h THR 75 Cb 1.54 3.16 0.04 0.00 -1.74 0.00 0.00 68.15 71.16 1bz9 h THR 75 CO 0.08 0.55 0.55 -1.81 0.37 0.00 0.00 175.52 175.25 1bz9 s ASP 76 N -6.35 6.95 0.04 4.18 1.01 -1.26 -5.04 116.67 116.20 1bz9 s ASP 76 Ca -0.21 2.46 0.06 0.00 0.71 0.00 0.00 52.55 55.57 1bz9 s ASP 76 Cb -0.01 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1bz9 s ASP 76 CO 0.67 -0.39 -0.15 0.42 0.21 0.00 0.00 175.17 175.93 1bz9 s THR 77 N -1.19 3.02 0.21 -1.27 -4.23 -1.26 -4.67 115.64 106.25 1bz9 s THR 77 Ca 0.48 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 59.94 1bz9 s THR 77 Cb -0.35 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1bz9 s THR 77 CO 0.46 0.31 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.39 1bz9 s TYR 78 N -0.98 1.77 0.19 3.99 1.51 -1.26 -0.73 117.35 121.84 1bz9 s TYR 78 Ca 0.16 -0.54 -0.23 0.00 -1.01 0.00 0.00 57.07 55.45 1bz9 s TYR 78 Cb -0.11 -0.82 0.06 0.00 -0.11 0.00 0.00 41.96 40.99 1bz9 s TYR 78 CO 0.07 0.39 0.96 0.00 -1.11 0.00 0.00 175.55 175.86 1bz9 s ALA 79 N -2.86 -1.52 -0.08 3.71 0.00 -0.74 -1.25 121.76 119.02 1bz9 s ALA 79 Ca 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1bz9 s ALA 79 Cb -0.02 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1bz9 s ALA 79 CO 0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 175.76 174.70 1bz9 s ARG 81 N 1.04 2.82 -0.16 0.00 3.52 0.16 -0.26 118.95 126.07 1bz9 s ARG 81 Ca -0.08 -1.01 -0.05 0.00 -0.13 0.00 0.00 55.73 54.47 1bz9 s ARG 81 Cb -0.15 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1bz9 s ARG 81 CO -0.01 -0.47 -0.01 0.08 -0.81 0.00 0.00 175.30 174.09 1bz9 s VAL 82 N 1.37 4.18 -0.16 7.11 1.01 0.15 -0.01 120.40 134.05 1bz9 s VAL 82 Ca -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1bz9 s VAL 82 Cb -0.18 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1bz9 s VAL 82 CO -0.01 0.48 -0.17 -0.75 0.00 0.00 0.00 175.10 174.65 1bz9 s LYS 83 N 0.35 3.12 0.05 2.72 2.20 0.05 -1.51 119.74 126.73 1bz9 s LYS 83 Ca -0.02 -0.79 -0.07 0.00 -0.36 0.00 0.00 55.97 54.73 1bz9 s LYS 83 Cb -0.14 -2.59 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1bz9 s LYS 83 CO 0.02 -0.06 0.14 -1.58 -0.36 0.00 0.00 175.35 173.51 1bz9 s HIS 84 N 0.98 0.15 -0.61 4.03 2.46 -1.26 -1.21 115.29 119.83 1bz9 s HIS 84 Ca -0.02 -0.45 0.23 0.00 0.47 0.00 0.00 55.06 55.28 1bz9 s HIS 84 Cb -0.15 -0.10 0.91 0.00 -0.13 0.00 0.00 32.58 33.12 1bz9 s HIS 84 CO -0.04 -0.42 1.70 -0.25 -2.47 0.00 0.00 174.74 173.26 1bz9 n ASP 85 N 0.57 0.58 0.02 9.88 8.00 -1.26 -2.62 116.55 131.72 1bz9 n ASP 85 Ca -0.18 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.06 1bz9 n ASP 85 Cb 0.59 -0.75 0.49 0.00 -0.02 0.00 0.00 41.12 41.43 1bz9 n ASP 85 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bz9 n SER 86 N -2.12 0.16 -4.39 -2.24 3.41 -1.26 -4.81 113.62 102.37 1bz9 n SER 86 Ca 0.03 0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1bz9 n SER 86 Cb 0.26 -0.56 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 1bz9 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1bz9 s MET 87 N -3.04 1.75 0.12 4.33 -1.94 -1.08 -4.78 119.30 114.67 1bz9 s MET 87 Ca 0.11 -1.15 -0.06 0.00 -1.71 0.00 0.00 55.69 52.87 1bz9 s MET 87 Cb 0.14 -2.01 -0.13 0.00 2.01 0.00 0.00 34.83 34.84 1bz9 s MET 87 CO 0.45 0.50 1.28 0.00 -0.01 0.00 0.00 175.02 177.23 1bz9 h ALA 88 N 4.41 0.31 -2.21 3.03 0.00 -1.87 -3.45 119.26 119.48 1bz9 h ALA 88 Ca -0.48 -0.71 -0.36 0.00 0.00 0.00 0.00 54.91 53.36 1bz9 h ALA 88 Cb 1.15 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.80 1bz9 h ALA 88 CO 0.43 0.79 -0.68 -1.83 0.00 0.00 0.00 179.25 177.96 1bz9 s GLU 89 N -3.27 1.22 0.76 0.00 4.04 -1.26 -5.10 118.70 115.09 1bz9 s GLU 89 Ca -0.07 -1.58 -0.12 0.00 0.04 0.00 0.00 54.97 53.24 1bz9 s GLU 89 Cb 0.08 -0.62 0.06 0.00 0.02 0.00 0.00 34.13 33.67 1bz9 s GLU 89 CO 0.88 -0.03 1.13 -2.14 -1.84 0.00 0.00 175.26 173.26 1bz9 s PRO 90 N -3.82 2.13 -0.15 -4.83 0.02 -1.26 -4.87 135.00 122.22 1bz9 s PRO 90 Ca 0.24 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.67 1bz9 s PRO 90 Cb 0.04 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.70 1bz9 s PRO 90 CO 0.05 -1.77 -0.16 0.21 -0.33 0.00 0.00 177.00 175.00 1bz9 s LYS 91 N -4.47 3.21 -0.21 5.54 2.20 -0.57 -4.93 119.74 120.51 1bz9 s LYS 91 Ca 0.66 -0.76 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1bz9 s LYS 91 Cb -0.21 -2.60 0.05 0.00 -1.51 0.00 0.00 37.83 33.56 1bz9 s LYS 91 CO 0.51 0.04 -0.10 0.99 -0.36 0.00 0.00 175.35 176.43 1bz9 s THR 92 N 0.75 1.72 -0.03 3.43 2.01 -1.25 0.32 115.64 122.60 1bz9 s THR 92 Ca -0.07 -1.15 0.02 0.00 0.31 0.00 0.00 61.69 60.80 1bz9 s THR 92 Cb -0.15 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1bz9 s THR 92 CO 0.01 0.10 -0.06 0.68 -0.69 0.00 0.00 174.62 174.66 1bz9 s VAL 93 N 1.34 3.77 0.11 3.82 -7.23 0.64 -4.89 120.40 117.97 1bz9 s VAL 93 Ca -0.03 -0.59 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 1bz9 s VAL 93 Cb -0.17 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.11 1bz9 s VAL 93 CO -0.07 0.50 0.45 -0.31 -0.31 0.00 0.00 175.10 175.35 1bz9 s TYR 94 N -0.91 3.57 0.26 2.82 1.51 -1.26 0.16 117.35 123.49 1bz9 s TYR 94 Ca 0.15 0.85 -0.30 0.00 -1.01 0.00 0.00 57.07 56.77 1bz9 s TYR 94 Cb -0.11 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.43 1bz9 s TYR 94 CO 0.05 0.47 1.23 -0.46 -1.11 0.00 0.00 175.55 175.73 1bz9 s TRP 95 N -1.46 3.32 -0.12 2.71 -0.00 -0.38 -4.86 118.94 118.14 1bz9 s TRP 95 Ca 0.36 1.44 0.03 0.00 -0.00 0.00 0.00 56.10 57.93 1bz9 s TRP 95 Cb -0.14 -3.51 0.01 0.00 -0.00 0.00 0.00 33.47 29.83 1bz9 s TRP 95 CO 0.19 -1.39 -0.21 0.34 -0.00 0.00 0.00 176.95 175.88 1bz9 s ASP 96 N -0.27 2.94 0.25 5.86 -1.08 -1.26 -4.74 116.67 118.37 1bz9 s ASP 96 Ca 0.50 -0.55 -0.06 0.00 -0.52 0.00 0.00 52.55 51.93 1bz9 s ASP 96 Cb -0.35 -1.35 0.28 0.00 -1.46 0.00 0.00 42.92 40.03 1bz9 s ASP 96 CO 0.43 0.10 1.93 0.03 0.52 0.00 0.00 175.17 178.17 1bz9 h ARG 97 N 7.12 1.31 0.00 4.34 3.08 -1.98 -2.78 114.38 125.46 1bz9 h ARG 97 Ca -0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1bz9 h ARG 97 Cb 1.20 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1bz9 h ARG 97 CO 0.51 0.86 0.00 -0.25 -1.07 0.00 0.00 179.97 180.03 1bz9 n ASP 98 N -4.39 0.00 0.00 7.04 8.00 -1.26 -4.89 116.55 121.05 1bz9 n ASP 98 Ca 0.12 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1bz9 n ASP 98 Cb 0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1bz9 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04