#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xz0 s GLN 2 N 0.00 2.17 -0.00 6.28 -0.21 -1.26 -4.67 119.66 121.97 1xz0 s GLN 2 Ca 0.00 -0.90 0.05 0.00 0.02 0.00 0.00 55.36 54.52 1xz0 s GLN 2 Cb 0.00 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.81 1xz0 s GLN 2 CO 0.00 0.57 -0.15 1.03 -2.12 0.00 0.00 175.29 174.62 1xz0 s ARG 3 N -1.04 1.15 0.09 2.91 0.52 -0.25 -4.93 118.95 117.40 1xz0 s ARG 3 Ca 0.12 -0.58 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 1xz0 s ARG 3 Cb -0.10 -1.13 -0.06 0.00 0.52 0.00 0.00 34.95 34.18 1xz0 s ARG 3 CO 0.02 0.30 0.43 -0.08 0.02 0.00 0.00 175.30 176.00 1xz0 s THR 4 N -0.45 5.05 0.59 0.02 -1.32 -1.26 -2.10 115.64 116.17 1xz0 s THR 4 Ca 0.05 0.53 -0.19 0.00 -1.21 0.00 0.00 61.69 60.87 1xz0 s THR 4 Cb -0.06 -3.66 -0.03 0.00 -1.51 0.00 0.00 72.50 67.23 1xz0 s THR 4 CO -0.00 0.28 1.25 -2.16 -2.21 0.00 0.00 174.62 171.78 1xz0 s PRO 5 N -1.91 2.96 -0.14 7.08 0.04 -1.26 -4.47 135.00 137.29 1xz0 s PRO 5 Ca 0.34 1.95 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 1xz0 s PRO 5 Cb -0.14 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1xz0 s PRO 5 CO 0.18 -1.25 -0.04 0.21 0.04 0.00 0.00 177.00 176.14 1xz0 s LYS 6 N -3.22 3.55 -0.20 4.56 2.20 0.60 -4.94 119.74 122.27 1xz0 s LYS 6 Ca 0.77 -0.53 0.01 0.00 -0.36 0.00 0.00 55.97 55.87 1xz0 s LYS 6 Cb -0.34 -2.86 0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1xz0 s LYS 6 CO 0.37 0.30 -0.13 0.42 -0.36 0.00 0.00 175.35 175.95 1xz0 s ILE 7 N 0.19 1.87 -0.12 5.43 1.01 -1.26 -1.81 121.20 126.52 1xz0 s ILE 7 Ca -0.02 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1xz0 s ILE 7 Cb -0.14 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.48 1xz0 s ILE 7 CO 0.03 0.25 -0.22 -1.10 0.00 0.00 0.00 174.94 173.91 1xz0 s GLN 8 N 1.31 2.92 -0.07 2.79 -0.21 -0.88 -5.02 119.66 120.50 1xz0 s GLN 8 Ca -0.01 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.58 1xz0 s GLN 8 Cb -0.16 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.52 1xz0 s GLN 8 CO -0.09 0.05 -0.13 0.08 -2.12 0.00 0.00 175.29 173.08 1xz0 s VAL 9 N 0.66 3.13 0.06 1.09 1.01 -1.26 -1.53 120.40 123.56 1xz0 s VAL 9 Ca -0.11 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 1xz0 s VAL 9 Cb -0.16 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1xz0 s VAL 9 CO 0.02 0.58 0.64 -0.72 0.00 0.00 0.00 175.10 175.62 1xz0 s TYR 10 N -0.51 -0.59 0.15 5.22 1.13 -1.11 -4.97 117.35 116.67 1xz0 s TYR 10 Ca 0.07 0.69 0.01 0.00 -1.41 0.00 0.00 57.07 56.43 1xz0 s TYR 10 Cb -0.12 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1xz0 s TYR 10 CO 0.02 -0.74 0.30 -1.54 -2.51 0.00 0.00 175.55 171.08 1xz0 s SER 11 N -2.04 6.36 0.09 -0.18 1.04 -1.26 -1.32 113.70 116.38 1xz0 s SER 11 Ca -0.04 0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.51 1xz0 s SER 11 Cb -0.01 -1.95 -0.20 0.00 0.10 0.00 0.00 66.02 63.97 1xz0 s SER 11 CO -0.03 0.04 1.24 -0.09 0.98 0.00 0.00 173.24 175.38 1xz0 h ARG 12 N 2.24 0.73 -6.14 4.02 9.65 -1.81 -3.46 114.38 119.60 1xz0 h ARG 12 Ca -0.48 -0.71 -0.58 0.00 -1.10 0.00 0.00 59.98 57.11 1xz0 h ARG 12 Cb 1.19 0.18 -0.15 0.00 -1.39 0.00 0.00 29.97 29.80 1xz0 h ARG 12 CO 0.69 1.30 -0.77 -1.01 2.80 0.00 0.00 179.97 182.98 1xz0 s HIS 13 N -3.48 2.14 0.46 2.20 3.76 -1.26 -5.04 115.29 114.07 1xz0 s HIS 13 Ca -0.10 -0.39 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 1xz0 s HIS 13 Cb 0.08 -0.98 -0.08 0.00 1.11 0.00 0.00 32.58 32.71 1xz0 s HIS 13 CO 0.91 0.57 1.42 -0.35 -0.85 0.00 0.00 174.74 176.44 1xz0 n PRO 14 N -0.31 2.19 -1.87 8.40 -0.04 -1.26 -4.92 135.00 137.19 1xz0 n PRO 14 Ca -0.08 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1xz0 n PRO 14 Cb 0.59 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1xz0 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xz0 s ALA 15 N -1.20 3.75 -0.24 0.55 0.00 -1.26 -5.00 121.76 118.36 1xz0 s ALA 15 Ca 0.62 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 54.00 1xz0 s ALA 15 Cb -0.45 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.13 1xz0 s ALA 15 CO 0.57 -0.86 0.12 -2.00 0.00 0.00 0.00 175.76 173.58 1xz0 s GLU 16 N 0.17 0.14 0.14 0.00 2.12 -1.26 -5.11 118.70 114.90 1xz0 s GLU 16 Ca 0.66 -0.35 -0.35 0.00 0.36 0.00 0.00 54.97 55.29 1xz0 s GLU 16 Cb -0.46 -1.41 -0.15 0.00 0.26 0.00 0.00 34.13 32.37 1xz0 s GLU 16 CO 0.40 -0.89 1.44 0.09 -0.54 0.00 0.00 175.26 175.77 1xz0 n ASN 17 N 5.26 2.39 0.00 -1.70 3.02 -1.26 -1.71 115.26 121.25 1xz0 n ASN 17 Ca -0.06 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1xz0 n ASN 17 Cb 0.45 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1xz0 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xz0 n GLY 18 N 2.85 0.69 3.39 7.41 0.00 -0.61 -5.02 105.19 113.90 1xz0 n GLY 18 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1xz0 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xz0 s LYS 19 N -0.67 2.74 0.72 1.61 2.20 -0.70 -5.01 119.74 120.64 1xz0 s LYS 19 Ca 0.00 -0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 54.71 1xz0 s LYS 19 Cb 0.00 -2.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.97 1xz0 s LYS 19 CO 0.00 0.45 1.17 0.45 -0.36 0.00 0.00 175.35 177.06 1xz0 s SER 20 N -0.29 4.41 0.24 1.43 0.15 -1.26 -4.19 113.70 114.18 1xz0 s SER 20 Ca 0.02 2.22 -0.15 0.00 0.70 0.00 0.00 55.95 58.73 1xz0 s SER 20 Cb -0.13 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.66 1xz0 s SER 20 CO 0.03 -2.11 0.75 -3.20 1.20 0.00 0.00 173.24 169.91 1xz0 n ASN 21 N -2.74 -1.66 -3.98 5.45 2.85 -0.41 -4.98 115.26 109.79 1xz0 n ASN 21 Ca 0.12 -2.03 -0.25 0.00 -0.11 0.00 0.00 54.58 52.31 1xz0 n ASN 21 Cb 0.51 2.74 -0.17 0.00 1.24 0.00 0.00 39.78 44.10 1xz0 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xz0 s PHE 22 N -3.07 1.44 -0.14 1.20 0.08 -1.26 -2.28 117.98 113.95 1xz0 s PHE 22 Ca 0.16 -0.59 -0.15 0.00 0.12 0.00 0.00 56.93 56.47 1xz0 s PHE 22 Cb -0.03 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1xz0 s PHE 22 CO 0.07 -0.35 0.33 -1.17 -0.10 0.00 0.00 175.22 174.00 1xz0 s LEU 23 N 1.02 4.27 0.19 -0.37 2.96 -0.83 -2.04 118.68 123.89 1xz0 s LEU 23 Ca -0.08 0.61 0.11 0.00 -0.22 0.00 0.00 54.13 54.54 1xz0 s LEU 23 Cb -0.15 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1xz0 s LEU 23 CO -0.00 0.11 -0.20 0.20 -1.32 0.00 0.00 176.35 175.14 1xz0 s ASN 24 N 0.32 3.67 -0.27 3.68 -0.87 -0.44 -2.69 114.94 118.34 1xz0 s ASN 24 Ca 0.19 -0.79 -0.03 0.00 -1.57 0.00 0.00 52.86 50.65 1xz0 s ASN 24 Cb -0.14 -0.39 0.10 0.00 -0.02 0.00 0.00 41.25 40.81 1xz0 s ASN 24 CO 0.06 0.11 0.16 0.00 -2.57 0.00 0.00 177.10 174.86 1xz0 s TYR 26 N 2.16 3.33 -0.20 0.00 5.04 -0.59 -1.55 117.35 125.54 1xz0 s TYR 26 Ca 0.08 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 1xz0 s TYR 26 Cb -0.16 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.43 1xz0 s TYR 26 CO -0.32 -0.22 -0.11 0.08 -1.34 0.00 0.00 175.55 173.64 1xz0 s VAL 27 N 2.07 1.74 0.10 3.14 1.01 -0.36 -2.07 120.40 126.03 1xz0 s VAL 27 Ca 0.26 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xz0 s VAL 27 Cb -0.16 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1xz0 s VAL 27 CO 0.09 0.19 0.07 -0.94 0.00 0.00 0.00 175.10 174.51 1xz0 s SER 28 N 1.35 0.32 -1.05 3.32 1.04 -0.75 -0.68 113.70 117.27 1xz0 s SER 28 Ca -0.01 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1xz0 s SER 28 Cb -0.16 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1xz0 s SER 28 CO -0.08 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1xz0 n GLY 29 N -0.03 0.77 3.86 7.32 0.00 -0.69 -0.29 105.19 116.13 1xz0 n GLY 29 Ca -0.10 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1xz0 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xz0 s PHE 30 N -2.44 3.40 -0.26 1.61 -0.71 -1.15 -4.22 117.98 114.21 1xz0 s PHE 30 Ca 0.00 0.20 -0.17 0.00 -1.04 0.00 0.00 56.93 55.92 1xz0 s PHE 30 Cb 0.00 -1.72 0.07 0.00 -1.21 0.00 0.00 43.02 40.16 1xz0 s PHE 30 CO 0.00 0.57 0.65 -1.58 -1.34 0.00 0.00 175.22 173.52 1xz0 s HIS 31 N -1.43 -0.91 1.11 3.49 2.46 -0.89 -1.11 115.29 118.01 1xz0 s HIS 31 Ca 0.31 1.93 -0.18 0.00 0.47 0.00 0.00 55.06 57.60 1xz0 s HIS 31 Cb -0.13 0.47 0.25 0.00 -0.13 0.00 0.00 32.58 33.05 1xz0 s HIS 31 CO 0.24 -0.45 1.16 -1.25 -2.47 0.00 0.00 174.74 171.97 1xz0 s PRO 32 N 1.21 -0.51 0.44 2.88 0.04 -1.26 -1.09 135.00 136.71 1xz0 s PRO 32 Ca -0.07 -0.10 0.24 0.00 0.04 0.00 0.00 61.00 61.11 1xz0 s PRO 32 Cb -0.05 -1.68 0.56 0.00 0.04 0.00 0.00 34.50 33.37 1xz0 s PRO 32 CO -0.13 -3.23 1.68 0.66 0.04 0.00 0.00 177.00 176.03 1xz0 h SER 33 N -2.23 0.00 -1.68 6.66 4.64 -2.00 -3.45 113.55 115.49 1xz0 h SER 33 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1xz0 h SER 33 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1xz0 h SER 33 CO 0.38 0.07 1.48 -0.67 -0.87 0.00 0.00 176.83 177.23 1xz0 n ASP 34 N -3.13 2.86 -3.76 4.97 2.03 -1.26 -4.96 116.55 113.30 1xz0 n ASP 34 Ca 0.03 0.23 -0.13 0.00 0.52 0.00 0.00 54.79 55.44 1xz0 n ASP 34 Cb 0.50 -1.47 -0.09 0.00 -0.72 0.00 0.00 41.12 39.35 1xz0 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xz0 s ILE 35 N 8.22 0.06 -0.20 5.18 2.07 -1.26 -4.58 121.20 130.69 1xz0 s ILE 35 Ca 1.04 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 59.78 1xz0 s ILE 35 Cb -0.49 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.49 1xz0 s ILE 35 CO 0.39 -0.27 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.32 1xz0 s GLU 36 N -1.39 3.08 -0.09 3.50 2.12 -0.72 -5.02 118.70 120.18 1xz0 s GLU 36 Ca -0.13 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.43 1xz0 s GLU 36 Cb -0.05 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 1xz0 s GLU 36 CO 0.04 -0.23 -0.16 0.08 -0.54 0.00 0.00 175.26 174.44 1xz0 s VAL 37 N 1.35 2.82 0.11 3.70 1.01 -1.26 -1.74 120.40 126.39 1xz0 s VAL 37 Ca 0.04 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.30 1xz0 s VAL 37 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1xz0 s VAL 37 CO -0.09 0.56 -0.12 -1.81 0.00 0.00 0.00 175.10 173.64 1xz0 s ASP 38 N -0.11 1.76 -0.09 3.32 1.11 -0.26 -5.01 116.67 117.39 1xz0 s ASP 38 Ca -0.02 -0.80 0.01 0.00 0.18 0.00 0.00 52.55 51.91 1xz0 s ASP 38 Cb -0.14 -0.04 -0.03 0.00 1.07 0.00 0.00 42.92 43.79 1xz0 s ASP 38 CO 0.04 -0.19 -0.10 -0.76 1.18 0.00 0.00 175.17 175.34 1xz0 s LEU 39 N -2.41 2.97 -0.05 1.23 1.43 -1.26 -1.22 118.68 119.37 1xz0 s LEU 39 Ca 0.07 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 1xz0 s LEU 39 Cb -0.04 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1xz0 s LEU 39 CO 0.02 0.29 -0.14 -0.76 0.23 0.00 0.00 176.35 175.98 1xz0 s LEU 40 N -0.38 2.73 -0.28 1.79 1.43 -0.93 -1.79 118.68 121.25 1xz0 s LEU 40 Ca 0.05 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1xz0 s LEU 40 Cb -0.12 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.54 1xz0 s LEU 40 CO 0.02 0.34 0.06 -0.75 0.23 0.00 0.00 176.35 176.26 1xz0 s LYS 41 N -0.76 3.20 -1.46 1.70 2.20 -0.13 -2.26 119.74 122.22 1xz0 s LYS 41 Ca 0.12 -0.78 -0.09 0.00 -0.36 0.00 0.00 55.97 54.86 1xz0 s LYS 41 Cb -0.11 -3.32 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1xz0 s LYS 41 CO 0.01 -0.38 0.86 0.09 -0.36 0.00 0.00 175.35 175.56 1xz0 n ASN 42 N 4.87 -3.37 0.00 1.43 3.02 0.51 -2.15 115.26 119.56 1xz0 n ASN 42 Ca -0.15 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1xz0 n ASN 42 Cb 0.49 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 1xz0 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xz0 n GLY 43 N -1.67 0.36 3.59 7.41 0.00 -1.26 -4.99 105.19 108.63 1xz0 n GLY 43 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1xz0 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xz0 s GLU 44 N -0.71 2.23 0.83 1.61 0.41 -0.92 -5.03 118.70 117.11 1xz0 s GLU 44 Ca 0.00 -0.96 -0.11 0.00 -0.41 0.00 0.00 54.97 53.49 1xz0 s GLU 44 Cb 0.00 -2.35 0.09 0.00 -1.78 0.00 0.00 34.13 30.09 1xz0 s GLU 44 CO 0.00 0.53 1.14 0.50 -0.49 0.00 0.00 175.26 176.93 1xz0 s ARG 45 N -2.07 1.68 -0.19 1.61 3.52 -1.26 -0.96 118.95 121.28 1xz0 s ARG 45 Ca 0.21 1.45 -0.02 0.00 -0.13 0.00 0.00 55.73 57.24 1xz0 s ARG 45 Cb -0.11 -1.81 -0.00 0.00 -1.56 0.00 0.00 34.95 31.47 1xz0 s ARG 45 CO 0.13 -2.12 -0.10 0.42 -0.81 0.00 0.00 175.30 172.82 1xz0 s ILE 46 N -2.62 3.02 0.75 4.11 1.01 -0.74 -4.63 121.20 122.10 1xz0 s ILE 46 Ca 0.66 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 1xz0 s ILE 46 Cb -0.22 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 39.96 1xz0 s ILE 46 CO 0.55 0.47 1.08 -1.61 0.00 0.00 0.00 174.94 175.42 1xz0 s GLU 47 N 1.18 2.52 -0.95 2.79 0.41 -1.26 -4.34 118.70 119.04 1xz0 s GLU 47 Ca 0.02 0.90 -0.11 0.00 -0.41 0.00 0.00 54.97 55.37 1xz0 s GLU 47 Cb -0.14 -1.95 -0.00 0.00 -1.78 0.00 0.00 34.13 30.26 1xz0 s GLU 47 CO -0.03 -1.38 0.71 1.63 -0.49 0.00 0.00 175.26 175.69 1xz0 n LYS 48 N -3.31 -1.28 -4.50 1.61 4.76 -1.26 -5.01 118.16 109.16 1xz0 n LYS 48 Ca 0.08 0.77 -0.33 0.00 -2.87 0.00 0.00 58.31 55.96 1xz0 n LYS 48 Cb 0.54 -3.84 -0.11 0.00 -1.84 0.00 0.00 35.03 29.78 1xz0 n LYS 48 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xz0 s VAL 49 N -3.21 3.71 0.25 -0.18 -7.23 -1.26 -4.96 120.40 107.52 1xz0 s VAL 49 Ca 0.22 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1xz0 s VAL 49 Cb -0.08 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1xz0 s VAL 49 CO 0.85 0.46 0.20 -0.70 -0.31 0.00 0.00 175.10 175.61 1xz0 s GLU 50 N -1.22 2.95 0.02 4.82 2.56 -1.04 -4.97 118.70 121.82 1xz0 s GLU 50 Ca 0.16 -1.05 -0.17 0.00 0.00 0.00 0.00 54.97 53.91 1xz0 s GLU 50 Cb -0.11 -2.58 0.03 0.00 2.00 0.00 0.00 34.13 33.47 1xz0 s GLU 50 CO 0.06 0.40 0.37 -3.38 -0.56 0.00 0.00 175.26 172.15 1xz0 s HIS 51 N -2.13 -0.22 0.92 5.30 -3.43 -1.26 -2.29 115.29 112.17 1xz0 s HIS 51 Ca 0.33 0.22 -0.10 0.00 -0.80 0.00 0.00 55.06 54.71 1xz0 s HIS 51 Cb -0.08 0.17 0.15 0.00 -1.43 0.00 0.00 32.58 31.38 1xz0 s HIS 51 CO 0.25 -0.51 1.14 -1.13 -2.00 0.00 0.00 174.74 172.49 1xz0 n SER 52 N 0.74 0.32 -4.77 7.38 3.41 -0.67 -4.97 113.62 115.05 1xz0 n SER 52 Ca -0.19 0.42 -0.40 0.00 -0.26 0.00 0.00 58.87 58.44 1xz0 n SER 52 Cb 0.59 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1xz0 n SER 52 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xz0 s ASP 53 N -2.62 6.15 0.24 4.04 1.01 -1.26 -4.78 116.67 119.45 1xz0 s ASP 53 Ca 0.67 2.84 -0.31 0.00 0.71 0.00 0.00 52.55 56.46 1xz0 s ASP 53 Cb -0.23 -2.65 -0.12 0.00 1.01 0.00 0.00 42.92 40.93 1xz0 s ASP 53 CO 0.58 -0.98 1.67 -0.22 0.21 0.00 0.00 175.17 176.43 1xz0 s LEU 54 N -2.46 4.36 0.20 1.23 2.96 -1.26 -4.93 118.68 118.78 1xz0 s LEU 54 Ca 0.57 2.89 -0.05 0.00 -0.22 0.00 0.00 54.13 57.33 1xz0 s LEU 54 Cb -0.42 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.63 1xz0 s LEU 54 CO 0.55 -0.95 0.23 -0.55 -1.32 0.00 0.00 176.35 174.31 1xz0 s SER 55 N 0.93 0.09 0.11 3.68 0.15 -1.24 -5.07 113.70 112.34 1xz0 s SER 55 Ca 0.70 -1.21 0.02 0.00 0.70 0.00 0.00 55.95 56.16 1xz0 s SER 55 Cb -0.49 0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1xz0 s SER 55 CO 0.38 -0.91 -0.07 0.72 1.20 0.00 0.00 173.24 174.55 1xz0 s PHE 56 N -4.10 0.95 0.58 3.44 -0.71 -1.26 -1.85 117.98 115.03 1xz0 s PHE 56 Ca 0.32 -0.89 -0.01 0.00 -1.04 0.00 0.00 56.93 55.31 1xz0 s PHE 56 Cb 0.05 -0.54 0.11 0.00 -1.21 0.00 0.00 43.02 41.44 1xz0 s PHE 56 CO 0.09 -0.11 0.79 0.43 -1.34 0.00 0.00 175.22 175.08 1xz0 n SER 57 N -0.06 1.03 0.27 1.98 7.64 -0.06 -4.95 113.62 119.47 1xz0 n SER 57 Ca -0.12 -1.87 0.18 0.00 1.01 0.00 0.00 58.87 58.06 1xz0 n SER 57 Cb 0.61 -0.51 0.78 0.00 -1.01 0.00 0.00 64.21 64.07 1xz0 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1xz0 h LYS 58 N 0.00 0.00 -0.65 1.43 3.64 -2.03 -1.20 116.57 117.76 1xz0 h LYS 58 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1xz0 h LYS 58 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1xz0 h LYS 58 CO 0.28 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.06 1xz0 n ASP 59 N -2.97 4.59 0.00 4.20 5.75 -1.26 -4.93 116.55 121.93 1xz0 n ASP 59 Ca -0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1xz0 n ASP 59 Cb 0.24 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 1xz0 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1xz0 n TRP 60 N 0.61 0.00 -2.55 2.11 7.02 -0.45 -5.01 117.44 119.16 1xz0 n TRP 60 Ca 0.22 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.39 1xz0 n TRP 60 Cb 0.94 -0.11 -0.03 0.00 -2.42 0.00 0.00 31.31 29.69 1xz0 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1xz0 s SER 61 N -3.40 6.58 0.18 -0.99 1.04 -1.26 -4.68 113.70 111.16 1xz0 s SER 61 Ca 0.00 1.40 -0.01 0.00 0.48 0.00 0.00 55.95 57.82 1xz0 s SER 61 Cb 0.00 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 1xz0 s SER 61 CO 0.00 -0.53 0.37 -0.36 0.98 0.00 0.00 173.24 173.70 1xz0 s PHE 62 N -2.55 3.48 -0.02 5.02 0.08 -0.27 -0.88 117.98 122.85 1xz0 s PHE 62 Ca 0.56 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.90 1xz0 s PHE 62 Cb -0.10 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1xz0 s PHE 62 CO 0.32 0.41 0.16 1.52 -0.10 0.00 0.00 175.22 177.53 1xz0 s TYR 63 N -1.80 -0.04 0.04 0.36 -0.85 -0.77 -1.70 117.35 112.59 1xz0 s TYR 63 Ca 0.38 0.08 0.03 0.00 -0.52 0.00 0.00 57.07 57.04 1xz0 s TYR 63 Cb -0.11 -0.01 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 1xz0 s TYR 63 CO 0.28 -0.23 -0.09 -0.51 -1.52 0.00 0.00 175.55 173.48 1xz0 s LEU 64 N -0.93 2.21 -0.17 -3.49 1.43 0.15 -3.69 118.68 114.19 1xz0 s LEU 64 Ca -0.10 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1xz0 s LEU 64 Cb -0.06 -0.28 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1xz0 s LEU 64 CO 0.01 -0.12 -0.01 -0.22 0.23 0.00 0.00 176.35 176.25 1xz0 s LEU 65 N -1.32 3.37 -0.08 1.79 2.96 -1.26 -1.23 118.68 122.90 1xz0 s LEU 65 Ca -0.06 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1xz0 s LEU 65 Cb -0.08 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1xz0 s LEU 65 CO 0.01 0.14 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.70 1xz0 s TYR 66 N 0.53 2.67 0.13 5.38 1.51 -0.60 -1.68 117.35 125.29 1xz0 s TYR 66 Ca -0.01 -0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 55.38 1xz0 s TYR 66 Cb -0.14 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1xz0 s TYR 66 CO 0.02 -0.10 0.34 1.52 -1.11 0.00 0.00 175.55 176.22 1xz0 s TYR 67 N -0.11 -0.00 -0.09 2.71 1.13 -0.97 -0.52 117.35 119.50 1xz0 s TYR 67 Ca -0.03 -0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 1xz0 s TYR 67 Cb -0.14 0.14 0.09 0.00 -1.10 0.00 0.00 41.96 40.95 1xz0 s TYR 67 CO 0.04 -0.69 0.81 -0.08 -2.51 0.00 0.00 175.55 173.12 1xz0 s THR 68 N -3.85 0.00 0.44 -3.49 -1.32 -1.10 -2.48 115.64 103.83 1xz0 s THR 68 Ca 0.06 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.30 1xz0 s THR 68 Cb 0.03 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 1xz0 s THR 68 CO -0.09 0.00 1.19 -1.61 -2.21 0.00 0.00 174.62 171.90 1xz0 s GLU 69 N -1.31 3.86 -0.02 7.08 2.02 -1.26 -1.97 118.70 127.09 1xz0 s GLU 69 Ca -0.06 1.87 -0.29 0.00 0.02 0.00 0.00 54.97 56.50 1xz0 s GLU 69 Cb -0.00 -2.54 0.08 0.00 0.10 0.00 0.00 34.13 31.77 1xz0 s GLU 69 CO 0.05 -0.49 0.71 -0.59 0.02 0.00 0.00 175.26 174.96 1xz0 s PHE 70 N -1.45 -0.59 -0.33 1.61 -0.71 -0.97 -4.89 117.98 110.65 1xz0 s PHE 70 Ca 0.61 0.88 0.04 0.00 -1.04 0.00 0.00 56.93 57.42 1xz0 s PHE 70 Cb -0.31 0.45 0.10 0.00 -1.21 0.00 0.00 43.02 42.05 1xz0 s PHE 70 CO 0.38 -0.62 0.04 0.99 -1.34 0.00 0.00 175.22 174.67 1xz0 s THR 71 N -1.75 2.16 0.50 -4.49 2.01 -1.26 -1.29 115.64 111.52 1xz0 s THR 71 Ca -0.07 -2.22 -0.22 0.00 0.31 0.00 0.00 61.69 59.48 1xz0 s THR 71 Cb -0.00 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.87 1xz0 s THR 71 CO 0.04 -0.57 1.25 -2.16 -0.69 0.00 0.00 174.62 172.49 1xz0 s PRO 72 N 0.97 3.48 0.05 4.92 0.04 -1.26 -4.78 135.00 138.43 1xz0 s PRO 72 Ca 0.10 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1xz0 s PRO 72 Cb -0.19 -2.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 1xz0 s PRO 72 CO -0.09 -0.83 -0.11 0.99 0.04 0.00 0.00 177.00 177.00 1xz0 s THR 73 N -1.45 0.79 0.16 1.26 2.01 -1.26 -1.58 115.64 115.58 1xz0 s THR 73 Ca 0.67 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1xz0 s THR 73 Cb -0.33 -0.80 0.23 0.00 0.01 0.00 0.00 72.50 71.60 1xz0 s THR 73 CO 0.40 -0.28 0.84 1.21 -0.69 0.00 0.00 174.62 176.10 1xz0 n GLU 74 N 1.46 -0.04 -0.04 4.92 2.13 -1.26 -2.20 120.64 125.60 1xz0 n GLU 74 Ca -0.22 0.81 0.02 0.00 0.66 0.00 0.00 57.16 58.43 1xz0 n GLU 74 Cb 0.55 -1.27 0.04 0.00 0.27 0.00 0.00 31.44 31.02 1xz0 n GLU 74 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1xz0 n LYS 75 N -4.68 2.08 -3.17 5.31 0.00 -1.26 -5.03 118.16 111.41 1xz0 n LYS 75 Ca 0.12 -1.42 -0.39 0.00 -0.00 0.00 0.00 58.31 56.62 1xz0 n LYS 75 Cb 0.39 -1.08 -0.06 0.00 -0.00 0.00 0.00 35.03 34.29 1xz0 n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1xz0 s ASP 76 N -0.82 7.01 -0.25 -5.58 1.01 -0.93 -5.07 116.67 112.04 1xz0 s ASP 76 Ca 0.06 1.21 -0.08 0.00 0.71 0.00 0.00 52.55 54.45 1xz0 s ASP 76 Cb 0.03 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 1xz0 s ASP 76 CO 0.05 0.09 0.09 -1.61 0.21 0.00 0.00 175.17 173.99 1xz0 s GLU 77 N -0.16 3.73 -0.05 8.23 2.02 -1.26 -4.74 118.70 126.47 1xz0 s GLU 77 Ca 0.32 -0.44 0.05 0.00 0.02 0.00 0.00 54.97 54.92 1xz0 s GLU 77 Cb -0.19 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 1xz0 s GLU 77 CO 0.18 -0.16 -0.18 0.71 0.02 0.00 0.00 175.26 175.83 1xz0 s TYR 78 N 1.57 2.59 0.29 1.61 1.51 -1.26 -0.36 117.35 123.30 1xz0 s TYR 78 Ca 0.06 -0.36 -0.00 0.00 -1.01 0.00 0.00 57.07 55.76 1xz0 s TYR 78 Cb -0.15 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1xz0 s TYR 78 CO 0.05 0.03 0.37 0.00 -1.11 0.00 0.00 175.55 174.89 1xz0 n ALA 79 N 2.57 -0.12 -3.70 3.71 0.00 -0.96 -1.01 120.51 120.99 1xz0 n ALA 79 Ca -0.17 -1.39 -0.22 0.00 0.00 0.00 0.00 53.44 51.66 1xz0 n ALA 79 Cb 0.52 1.12 -0.18 0.00 0.00 0.00 0.00 19.45 20.91 1xz0 n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xz0 s ARG 81 N 2.08 3.51 -0.06 0.00 3.52 -0.36 -0.91 118.95 126.74 1xz0 s ARG 81 Ca 0.04 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.12 1xz0 s ARG 81 Cb -0.13 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1xz0 s ARG 81 CO -0.05 -0.00 -0.22 0.08 -0.81 0.00 0.00 175.30 174.30 1xz0 s VAL 82 N 0.99 1.82 -0.05 7.11 1.01 0.39 -1.10 120.40 130.57 1xz0 s VAL 82 Ca 0.01 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1xz0 s VAL 82 Cb -0.15 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1xz0 s VAL 82 CO 0.01 0.51 -0.24 0.21 0.00 0.00 0.00 175.10 175.58 1xz0 s ASN 83 N -0.01 2.97 -0.13 3.32 2.47 -0.71 -1.22 114.94 121.63 1xz0 s ASN 83 Ca -0.06 -0.49 -0.20 0.00 0.42 0.00 0.00 52.86 52.53 1xz0 s ASN 83 Cb -0.14 -0.79 0.05 0.00 -1.45 0.00 0.00 41.25 38.93 1xz0 s ASN 83 CO 0.04 0.24 0.51 -2.28 -3.72 0.00 0.00 177.10 171.89 1xz0 s HIS 84 N -0.17 -0.51 0.59 0.43 5.65 -1.26 -1.75 115.29 118.27 1xz0 s HIS 84 Ca -0.03 1.12 0.29 0.00 0.25 0.00 0.00 55.06 56.69 1xz0 s HIS 84 Cb -0.13 0.21 1.46 0.00 -1.18 0.00 0.00 32.58 32.95 1xz0 s HIS 84 CO 0.03 -0.36 1.88 -0.24 -0.65 0.00 0.00 174.74 175.40 1xz0 h VAL 85 N 3.99 0.33 0.00 0.89 3.04 -1.95 -0.20 116.25 122.35 1xz0 h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1xz0 h VAL 85 Cb 1.17 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1xz0 h VAL 85 CO 0.26 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.17 1xz0 n THR 86 N -3.65 0.72 -4.58 3.17 -2.24 -1.26 -4.80 114.28 101.64 1xz0 n THR 86 Ca 0.08 0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.71 1xz0 n THR 86 Cb 0.68 -0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 67.82 1xz0 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xz0 s LEU 87 N -2.69 2.54 0.55 3.22 1.43 -0.09 -5.00 118.68 118.64 1xz0 s LEU 87 Ca 0.12 -0.44 0.33 0.00 -1.03 0.00 0.00 54.13 53.11 1xz0 s LEU 87 Cb 0.10 -1.58 1.53 0.00 0.03 0.00 0.00 46.19 46.27 1xz0 s LEU 87 CO 0.23 0.10 2.06 0.77 0.23 0.00 0.00 176.35 179.74 1xz0 h SER 88 N 7.18 0.00 -5.13 2.29 4.64 -1.87 -3.44 113.55 117.23 1xz0 h SER 88 Ca -0.31 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 1xz0 h SER 88 Cb 1.20 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1xz0 h SER 88 CO 0.56 0.06 -0.09 0.00 -0.87 0.00 0.00 176.83 176.49 1xz0 s GLN 89 N -3.87 1.26 0.46 4.77 -2.07 -1.26 -5.16 119.66 113.80 1xz0 s GLN 89 Ca -0.01 -0.92 -0.24 0.00 -1.82 0.00 0.00 55.36 52.37 1xz0 s GLN 89 Cb 0.11 0.47 -0.09 0.00 -1.09 0.00 0.00 33.01 32.41 1xz0 s GLN 89 CO 0.54 -0.51 1.15 -0.35 -1.32 0.00 0.00 175.29 174.80 1xz0 n PRO 90 N -0.28 1.55 -4.65 9.60 -0.04 -1.26 -4.93 135.00 134.99 1xz0 n PRO 90 Ca -0.10 0.56 -0.33 0.00 -0.04 0.00 0.00 63.50 63.58 1xz0 n PRO 90 Cb 0.63 -2.26 -0.13 0.00 -0.04 0.00 0.00 33.50 31.70 1xz0 n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1xz0 s LYS 91 N -2.31 3.10 -0.07 0.54 2.20 -0.36 -4.94 119.74 117.89 1xz0 s LYS 91 Ca 0.65 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1xz0 s LYS 91 Cb -0.50 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1xz0 s LYS 91 CO 0.55 0.44 -0.10 0.42 -0.36 0.00 0.00 175.35 176.30 1xz0 s ILE 92 N -0.22 3.43 -0.18 5.43 1.09 -1.26 -0.46 121.20 129.03 1xz0 s ILE 92 Ca 0.02 -0.57 -0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1xz0 s ILE 92 Cb -0.13 -2.39 0.04 0.00 -1.06 0.00 0.00 42.46 38.92 1xz0 s ILE 92 CO 0.03 0.58 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.71 1xz0 s VAL 93 N -0.58 1.15 0.43 2.92 1.01 -0.09 -4.95 120.40 120.28 1xz0 s VAL 93 Ca 0.09 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.13 1xz0 s VAL 93 Cb -0.12 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 1xz0 s VAL 93 CO 0.02 0.08 1.01 -0.75 0.00 0.00 0.00 175.10 175.46 1xz0 s LYS 94 N 1.61 4.09 -0.26 2.72 2.47 -1.26 -1.43 119.74 127.68 1xz0 s LYS 94 Ca -0.00 1.35 -0.13 0.00 -1.56 0.00 0.00 55.97 55.62 1xz0 s LYS 94 Cb -0.16 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.85 1xz0 s LYS 94 CO -0.08 -0.18 0.29 -0.46 0.16 0.00 0.00 175.35 175.09 1xz0 s TRP 95 N -1.89 3.27 -0.12 4.03 -0.00 -0.18 -4.92 118.94 119.13 1xz0 s TRP 95 Ca 0.62 0.34 0.02 0.00 -0.00 0.00 0.00 56.10 57.08 1xz0 s TRP 95 Cb -0.17 -2.46 0.01 0.00 -0.00 0.00 0.00 33.47 30.85 1xz0 s TRP 95 CO 0.21 -0.12 -0.19 0.34 -0.00 0.00 0.00 176.95 177.19 1xz0 s ASP 96 N 1.46 2.77 0.15 5.86 -1.08 -1.26 -4.68 116.67 119.89 1xz0 s ASP 96 Ca 0.12 -0.51 -0.14 0.00 -0.52 0.00 0.00 52.55 51.50 1xz0 s ASP 96 Cb -0.15 -1.26 0.03 0.00 -1.46 0.00 0.00 42.92 40.07 1xz0 s ASP 96 CO 0.09 0.05 1.69 0.08 0.52 0.00 0.00 175.17 177.61 1xz0 h ARG 97 N 7.31 0.73 -0.01 4.34 0.11 -2.01 -3.51 114.38 121.34 1xz0 h ARG 97 Ca -0.31 -0.14 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1xz0 h ARG 97 Cb 1.19 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1xz0 h ARG 97 CO 0.52 0.66 0.00 -0.25 0.10 0.00 0.00 179.97 181.00