#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r57 n SER 2 N 0.00 0.00 -1.10 7.83 2.88 -1.26 -5.03 113.62 116.93 1r57 n SER 2 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1r57 n SER 2 Cb 0.00 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 1r57 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1r57 n ASN 3 N -1.16 -5.38 -1.69 -3.46 4.13 -1.26 -4.83 115.26 101.60 1r57 n ASN 3 Ca 0.00 0.36 -0.09 0.00 1.68 0.00 0.00 54.58 56.53 1r57 n ASN 3 Cb 0.00 -4.15 0.02 0.00 -1.54 0.00 0.00 39.78 34.11 1r57 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r57 n LEU 4 N -1.64 5.83 -4.68 3.41 4.77 -1.26 -4.60 117.00 118.84 1r57 n LEU 4 Ca -0.14 -2.85 -0.41 0.00 -0.03 0.00 0.00 56.01 52.58 1r57 n LEU 4 Cb 0.58 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 1r57 n LEU 4 CO 0.22 1.10 0.54 -0.70 -1.33 0.00 0.00 177.39 177.22 1r57 s GLU 5 N -1.01 4.33 -0.12 3.23 2.12 -1.26 -5.02 118.70 120.97 1r57 s GLU 5 Ca 0.17 0.96 -0.27 0.00 0.36 0.00 0.00 54.97 56.19 1r57 s GLU 5 Cb 0.14 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 1r57 s GLU 5 CO -0.00 -0.22 0.89 0.42 -0.54 0.00 0.00 175.26 175.81 1r57 s ILE 6 N 1.78 4.87 -0.11 -3.70 1.01 -1.26 -3.82 121.20 119.96 1r57 s ILE 6 Ca 0.38 1.78 -0.08 0.00 0.00 0.00 0.00 60.65 62.73 1r57 s ILE 6 Cb -0.17 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1r57 s ILE 6 CO 0.14 0.06 0.16 -0.54 0.00 0.00 0.00 174.94 174.77 1r57 s LYS 7 N 1.81 3.52 0.00 2.79 -0.14 0.27 -4.96 119.74 123.03 1r57 s LYS 7 Ca 0.43 -0.09 0.01 0.00 -1.36 0.00 0.00 55.97 54.96 1r57 s LYS 7 Cb -0.18 -3.20 -0.04 0.00 -1.68 0.00 0.00 37.83 32.73 1r57 s LYS 7 CO 0.16 0.75 0.00 1.14 -0.76 0.00 0.00 175.35 176.65 1r57 s GLN 8 N -0.96 2.79 0.24 1.68 -2.07 -1.26 -0.79 119.66 119.29 1r57 s GLN 8 Ca 0.15 -0.61 0.05 0.00 -1.82 0.00 0.00 55.36 53.13 1r57 s GLN 8 Cb -0.12 -2.67 -0.02 0.00 -1.09 0.00 0.00 33.01 29.11 1r57 s GLN 8 CO 0.04 0.62 0.22 0.41 -1.32 0.00 0.00 175.29 175.27 1r57 n GLY 9 N 1.37 3.15 3.62 2.60 0.00 0.30 -4.98 105.19 111.25 1r57 n GLY 9 Ca -0.14 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1r57 n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r57 s GLU 10 N -2.93 3.70 -0.74 1.61 2.12 -1.26 -2.85 118.70 118.35 1r57 s GLU 10 Ca 0.28 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.96 1r57 s GLU 10 Cb 0.01 -4.02 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1r57 s GLU 10 CO 0.20 -1.41 0.00 0.09 -0.54 0.00 0.00 175.26 173.60 1r57 n ASN 11 N 8.63 -4.75 -3.80 -1.70 4.13 -1.26 -4.96 115.26 111.54 1r57 n ASN 11 Ca 0.18 0.17 -0.12 0.00 1.68 0.00 0.00 54.58 56.49 1r57 n ASN 11 Cb 0.46 -2.86 -0.10 0.00 -1.54 0.00 0.00 39.78 35.74 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1r57 s LYS 12 N -2.24 0.44 -0.09 3.52 -2.85 -1.13 -1.10 119.74 116.28 1r57 s LYS 12 Ca 0.00 0.03 0.02 0.00 -1.00 0.00 0.00 55.97 55.02 1r57 s LYS 12 Cb 0.00 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.98 1r57 s LYS 12 CO 0.00 -0.09 -0.16 -0.06 0.10 0.00 0.00 175.35 175.14 1r57 s PHE 13 N -0.61 1.94 -0.05 1.78 0.08 0.35 -0.54 117.98 120.94 1r57 s PHE 13 Ca -0.07 -0.83 0.01 0.00 0.12 0.00 0.00 56.93 56.16 1r57 s PHE 13 Cb -0.04 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 41.06 1r57 s PHE 13 CO 0.02 -0.40 -0.05 1.52 -0.10 0.00 0.00 175.22 176.20 1r57 s TYR 14 N 0.73 0.85 -0.32 0.36 1.13 0.03 -0.72 117.35 119.42 1r57 s TYR 14 Ca -0.12 -0.26 -0.21 0.00 -1.41 0.00 0.00 57.07 55.07 1r57 s TYR 14 Cb -0.16 -0.73 -0.00 0.00 -1.10 0.00 0.00 41.96 39.97 1r57 s TYR 14 CO 0.03 -0.21 0.67 0.42 -2.51 0.00 0.00 175.55 173.94 1r57 s ILE 15 N 0.92 4.89 0.00 -3.49 1.01 0.11 -0.56 121.20 124.07 1r57 s ILE 15 Ca -0.11 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.39 1r57 s ILE 15 Cb -0.14 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1r57 s ILE 15 CO 0.00 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.34 1r57 n GLY 16 N 4.45 0.56 0.07 6.18 0.00 -1.25 -0.72 105.19 114.48 1r57 n GLY 16 Ca -0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1r57 n GLY 16 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1r57 h ASP 17 N 0.00 0.04 -2.60 1.61 3.32 -1.89 -3.44 116.42 113.45 1r57 h ASP 17 Ca 0.00 -0.85 -0.54 0.00 0.02 0.00 0.00 57.03 55.67 1r57 h ASP 17 Cb 0.00 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 39.40 1r57 h ASP 17 CO 0.00 0.88 -0.63 -0.62 -1.72 0.00 0.00 179.24 177.15 1r57 s ASP 18 N -6.11 3.03 0.34 6.45 -1.08 -1.22 -5.00 116.67 113.08 1r57 s ASP 18 Ca -0.18 -1.31 0.11 0.00 -0.52 0.00 0.00 52.55 50.65 1r57 s ASP 18 Cb -0.01 -0.22 0.62 0.00 -1.46 0.00 0.00 42.92 41.85 1r57 s ASP 18 CO 0.69 -0.45 1.78 -0.33 0.52 0.00 0.00 175.17 177.38 1r57 h GLU 19 N 2.05 0.06 -0.33 4.34 5.08 -2.00 -1.90 114.58 121.89 1r57 h GLU 19 Ca -0.42 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1r57 h GLU 19 Cb 1.24 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1r57 h GLU 19 CO 0.72 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 179.28 1r57 n ASN 20 N -4.05 1.59 -2.97 1.42 4.13 -1.26 -4.19 115.26 109.92 1r57 n ASN 20 Ca -0.02 -2.03 -0.16 0.00 1.68 0.00 0.00 54.58 54.05 1r57 n ASN 20 Cb 0.44 -0.22 -0.01 0.00 -1.54 0.00 0.00 39.78 38.46 1r57 n ASN 20 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1r57 n ASN 21 N 0.30 -1.27 -4.48 6.41 4.05 -0.72 -5.11 115.26 114.45 1r57 n ASN 21 Ca 0.09 -3.04 -0.35 0.00 0.45 0.00 0.00 54.58 51.73 1r57 n ASN 21 Cb 0.27 0.59 -0.12 0.00 1.23 0.00 0.00 39.78 41.75 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1r57 s ALA 22 N -0.37 3.13 -0.17 5.20 0.00 -1.21 -2.85 121.76 125.50 1r57 s ALA 22 Ca 0.33 -0.98 0.19 0.00 0.00 0.00 0.00 51.96 51.50 1r57 s ALA 22 Cb 0.22 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 1r57 s ALA 22 CO -0.16 -0.18 0.90 1.28 0.00 0.00 0.00 175.76 177.59 1r57 n LEU 23 N 4.30 0.82 -3.44 0.00 4.32 0.11 -4.74 117.00 118.37 1r57 n LEU 23 Ca -0.17 0.34 -0.19 0.00 -0.02 0.00 0.00 56.01 55.98 1r57 n LEU 23 Cb 0.52 0.02 -0.11 0.00 -1.62 0.00 0.00 43.42 42.23 1r57 n LEU 23 CO 0.32 0.00 -0.20 0.00 -1.22 0.00 0.00 177.39 176.30 1r57 s ALA 24 N -3.12 -0.31 -0.19 -1.18 0.00 -1.06 0.00 121.76 115.91 1r57 s ALA 24 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 1r57 s ALA 24 Cb 0.09 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.58 1r57 s ALA 24 CO 0.81 -1.58 -0.16 -2.00 0.00 0.00 0.00 175.76 172.82 1r57 s GLU 25 N 2.33 3.11 -0.05 0.00 2.12 0.23 0.04 118.70 126.47 1r57 s GLU 25 Ca 0.09 -0.77 0.06 0.00 0.36 0.00 0.00 54.97 54.70 1r57 s GLU 25 Cb -0.15 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 1r57 s GLU 25 CO -0.28 -0.18 -0.23 -1.50 -0.54 0.00 0.00 175.26 172.53 1r57 s ILE 26 N 1.28 1.86 0.23 -3.70 2.07 0.11 -0.32 121.20 122.72 1r57 s ILE 26 Ca 0.04 -0.96 0.11 0.00 -1.41 0.00 0.00 60.65 58.43 1r57 s ILE 26 Cb -0.14 -1.58 -0.05 0.00 0.13 0.00 0.00 42.46 40.83 1r57 s ILE 26 CO -0.09 0.52 -0.15 0.42 -1.91 0.00 0.00 174.94 173.73 1r57 s THR 27 N -0.10 2.78 -0.14 4.00 -4.23 0.16 -0.49 115.64 117.61 1r57 s THR 27 Ca -0.04 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.27 1r57 s THR 27 Cb -0.13 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.34 1r57 s THR 27 CO 0.03 -0.25 0.45 -0.72 -0.54 0.00 0.00 174.62 173.59 1r57 s TYR 28 N -2.05 -0.47 0.09 3.99 1.13 -0.26 -3.75 117.35 116.04 1r57 s TYR 28 Ca 0.26 1.09 0.06 0.00 -1.41 0.00 0.00 57.07 57.07 1r57 s TYR 28 Cb -0.07 0.18 -0.03 0.00 -1.10 0.00 0.00 41.96 40.93 1r57 s TYR 28 CO 0.14 -0.28 -0.17 0.50 -2.51 0.00 0.00 175.55 173.23 1r57 s ARG 29 N -0.06 0.97 -0.73 -3.49 3.52 0.06 -4.69 118.95 114.54 1r57 s ARG 29 Ca -0.03 -1.08 -0.24 0.00 -0.13 0.00 0.00 55.73 54.25 1r57 s ARG 29 Cb -0.03 -1.05 0.06 0.00 -1.56 0.00 0.00 34.95 32.36 1r57 s ARG 29 CO 0.02 0.23 1.13 -0.06 -0.81 0.00 0.00 175.30 175.81 1r57 s PHE 30 N -1.38 2.54 0.08 5.12 0.40 -1.26 -0.14 117.98 123.34 1r57 s PHE 30 Ca 0.03 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.81 1r57 s PHE 30 Cb -0.09 -4.45 -0.22 0.00 0.51 0.00 0.00 43.02 38.78 1r57 s PHE 30 CO 0.03 -1.82 1.20 -0.39 0.70 0.00 0.00 175.22 174.94 1r57 h VAL 31 N 6.04 1.31 -1.43 -0.44 -1.51 -1.67 -3.42 116.25 115.13 1r57 h VAL 31 Ca -0.23 -2.35 -0.34 0.00 -1.23 0.00 0.00 66.70 62.56 1r57 h VAL 31 Cb 1.06 2.46 -0.25 0.00 -2.13 0.00 0.00 31.29 32.43 1r57 h VAL 31 CO 1.23 0.72 -0.70 -0.67 -1.23 0.00 0.00 177.57 176.92 1r57 n ASP 32 N -3.81 -2.15 0.00 4.19 2.03 -1.00 -5.02 116.55 110.79 1r57 n ASP 32 Ca -0.11 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1r57 n ASP 32 Cb 0.90 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 42.11 1r57 n ASP 32 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1r57 n ASN 33 N 2.66 0.00 -0.13 1.67 5.15 -1.26 -0.62 115.26 122.73 1r57 n ASN 33 Ca 0.21 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.26 1r57 n ASN 33 Cb 0.54 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 40.13 1r57 n ASN 33 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1r57 n ASN 34 N 1.07 0.39 -4.04 1.20 2.04 -1.26 -4.72 115.26 109.95 1r57 n ASN 34 Ca 0.00 -1.67 -0.30 0.00 -0.44 0.00 0.00 54.58 52.17 1r57 n ASN 34 Cb 0.00 -0.03 -0.17 0.00 -2.53 0.00 0.00 39.78 37.05 1r57 n ASN 34 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 1r57 s GLU 35 N -1.93 2.30 -0.08 -3.83 2.12 0.21 0.11 118.70 117.59 1r57 s GLU 35 Ca 0.20 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.00 1r57 s GLU 35 Cb 0.10 -2.05 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 1r57 s GLU 35 CO 0.16 -0.17 -0.21 0.96 -0.54 0.00 0.00 175.26 175.46 1r57 s ILE 36 N 1.29 2.37 -0.05 -3.70 -4.36 0.49 -1.66 121.20 115.58 1r57 s ILE 36 Ca 0.01 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.42 1r57 s ILE 36 Cb -0.14 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1r57 s ILE 36 CO -0.07 0.56 0.16 0.54 0.24 0.00 0.00 174.94 176.37 1r57 s ASN 37 N 0.02 6.32 -0.35 4.36 4.22 0.81 -1.96 114.94 128.35 1r57 s ASN 37 Ca -0.08 0.37 -0.04 0.00 -2.14 0.00 0.00 52.86 50.98 1r57 s ASN 37 Cb -0.15 -1.99 0.07 0.00 1.28 0.00 0.00 41.25 40.46 1r57 s ASN 37 CO 0.05 0.31 0.11 -0.63 -2.04 0.00 0.00 177.10 174.91 1r57 s ILE 38 N -1.21 3.33 -0.23 0.54 1.09 0.71 -0.76 121.20 124.67 1r57 s ILE 38 Ca 0.23 -1.58 -0.16 0.00 -1.10 0.00 0.00 60.65 58.03 1r57 s ILE 38 Cb -0.12 -3.05 -0.12 0.00 -1.06 0.00 0.00 42.46 38.10 1r57 s ILE 38 CO 0.13 -0.36 -0.17 -0.90 -0.10 0.00 0.00 174.94 173.54 1r57 n ASP 39 N 4.67 1.91 -4.58 3.58 5.68 -1.25 0.13 116.55 126.70 1r57 n ASP 39 Ca -0.09 0.39 -0.35 0.00 -0.50 0.00 0.00 54.79 54.24 1r57 n ASP 39 Cb 0.43 -0.86 -0.11 0.00 -1.14 0.00 0.00 41.12 39.44 1r57 n ASP 39 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1r57 s HIS 40 N -2.50 3.20 -0.28 2.11 5.04 -1.26 -3.46 115.29 118.14 1r57 s HIS 40 Ca -0.32 -0.05 -0.02 0.00 -1.54 0.00 0.00 55.06 53.12 1r57 s HIS 40 Cb 0.10 -2.16 0.12 0.00 0.04 0.00 0.00 32.58 30.67 1r57 s HIS 40 CO 0.49 -0.03 0.23 0.99 -2.34 0.00 0.00 174.74 174.08 1r57 s THR 41 N 0.89 -0.28 -0.40 0.89 2.01 -1.26 -0.67 115.64 116.82 1r57 s THR 41 Ca 0.04 -0.52 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 1r57 s THR 41 Cb -0.14 -0.94 0.11 0.00 0.01 0.00 0.00 72.50 71.55 1r57 s THR 41 CO 0.03 -0.51 0.19 -0.83 -0.69 0.00 0.00 174.62 172.81 1r57 s GLY 42 N 2.27 1.99 -0.12 4.40 0.00 0.56 -4.88 107.32 111.54 1r57 s GLY 42 Ca 0.09 -2.54 0.03 0.00 0.00 0.00 0.00 44.72 42.29 1r57 s GLY 42 CO -0.31 1.02 -0.22 0.14 0.00 0.00 0.00 173.10 173.73 1r57 s VAL 43 N 1.12 2.14 0.10 1.40 1.01 -1.26 -0.60 120.40 124.31 1r57 s VAL 43 Ca 0.08 -0.97 -0.31 0.00 0.00 0.00 0.00 61.98 60.79 1r57 s VAL 43 Cb -0.22 -1.84 -0.07 0.00 0.00 0.00 0.00 36.38 34.24 1r57 s VAL 43 CO -0.05 0.55 1.30 -0.44 0.00 0.00 0.00 175.10 176.46 1r57 s SER 44 N 0.58 6.95 0.00 3.32 0.01 0.10 -4.91 113.70 119.75 1r57 s SER 44 Ca -0.13 2.19 0.07 0.00 1.31 0.00 0.00 55.95 59.40 1r57 s SER 44 Cb -0.17 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.63 1r57 s SER 44 CO 0.03 -0.56 1.02 -0.90 0.41 0.00 0.00 173.24 173.25 1r57 n ASP 45 N 3.80 2.27 0.28 2.44 5.68 -1.26 -4.54 116.55 125.22 1r57 n ASP 45 Ca 0.10 -1.77 0.13 0.00 -0.50 0.00 0.00 54.79 52.75 1r57 n ASP 45 Cb 0.44 -0.10 0.80 0.00 -1.14 0.00 0.00 41.12 41.12 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1r57 h GLU 46 N 1.37 0.00 -0.69 0.11 3.07 -1.98 -2.11 114.58 114.35 1r57 h GLU 46 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1r57 h GLU 46 Cb 0.54 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.41 1r57 h GLU 46 CO 0.00 0.04 0.37 -0.07 -1.40 0.00 0.00 179.01 177.95 1r57 h LEU 47 N 0.00 0.87 0.00 1.33 3.38 -2.01 -3.46 115.31 115.41 1r57 h LEU 47 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1r57 h LEU 47 Cb 0.10 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1r57 h LEU 47 CO 0.01 0.72 0.00 0.61 0.09 0.00 0.00 178.44 179.87 1r57 n GLY 48 N -1.05 2.93 0.00 0.83 0.00 -0.80 -4.91 105.19 102.19 1r57 n GLY 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1r57 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r57 n GLY 49 N -2.00 5.04 0.88 -0.02 0.00 -1.26 -5.14 105.19 102.70 1r57 n GLY 49 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1r57 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r57 n GLN 50 N 0.00 -2.53 -0.88 1.61 3.00 -1.26 -4.59 117.38 112.72 1r57 n GLN 50 Ca 0.00 1.89 -0.09 0.00 -0.01 0.00 0.00 57.00 58.79 1r57 n GLN 50 Cb 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 30.24 27.97 1r57 n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r57 n GLY 51 N -1.02 2.90 0.27 1.08 0.00 -1.26 -4.50 105.19 102.66 1r57 n GLY 51 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 1r57 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r57 h VAL 52 N 1.75 0.50 -0.21 1.61 2.07 -1.98 -1.99 116.25 117.99 1r57 h VAL 52 Ca 0.15 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1r57 h VAL 52 Cb 1.38 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1r57 h VAL 52 CO 0.18 0.06 0.07 1.23 0.02 0.00 0.00 177.57 179.14 1r57 h GLY 53 N -0.85 0.35 2.00 2.17 0.00 -1.94 -2.92 103.07 101.88 1r57 h GLY 53 Ca -0.06 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1r57 h GLY 53 CO 0.10 0.19 -0.28 0.50 0.00 0.00 0.00 176.54 177.05 1r57 h LYS 54 N 0.18 0.00 -0.20 4.80 1.57 -1.90 0.90 116.57 121.91 1r57 h LYS 54 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1r57 h LYS 54 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1r57 h LYS 54 CO -0.00 0.28 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.84 1r57 h LYS 55 N 0.00 0.42 -0.26 3.15 3.64 -1.21 0.27 116.57 122.59 1r57 h LYS 55 Ca -0.00 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1r57 h LYS 55 Cb 0.61 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1r57 h LYS 55 CO 0.04 0.70 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.85 1r57 h LEU 56 N 0.12 0.44 -0.14 5.20 3.38 -1.30 -2.15 115.31 120.86 1r57 h LEU 56 Ca 0.05 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1r57 h LEU 56 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1r57 h LEU 56 CO 0.03 0.65 0.04 -0.07 0.09 0.00 0.00 178.44 179.17 1r57 h LEU 57 N 0.23 0.03 -1.22 1.67 4.07 -0.80 -1.87 115.31 117.42 1r57 h LEU 57 Ca 0.07 0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.07 1r57 h LEU 57 Cb 0.42 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 1r57 h LEU 57 CO 0.01 0.04 0.53 0.50 -1.08 0.00 0.00 178.44 178.45 1r57 h LYS 58 N 0.10 1.02 -0.41 1.13 3.64 -0.42 0.26 116.57 121.89 1r57 h LYS 58 Ca 0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1r57 h LYS 58 Cb 0.04 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1r57 h LYS 58 CO -0.07 0.68 0.15 0.00 -2.27 0.00 0.00 179.45 177.93 1r57 h ALA 59 N 1.51 0.54 -0.25 5.00 0.00 -0.98 0.39 119.26 125.48 1r57 h ALA 59 Ca 0.30 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1r57 h ALA 59 Cb -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1r57 h ALA 59 CO -0.08 0.16 -0.63 0.28 0.00 0.00 0.00 179.25 178.99 1r57 h VAL 60 N 0.52 1.27 -0.21 0.00 2.07 -0.71 -1.53 116.25 117.66 1r57 h VAL 60 Ca 0.14 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 65.71 1r57 h VAL 60 Cb 0.23 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1r57 h VAL 60 CO -0.01 0.59 -0.41 0.58 0.02 0.00 0.00 177.57 178.33 1r57 h VAL 61 N 0.63 1.30 -0.03 2.57 2.07 -0.41 0.24 116.25 122.63 1r57 h VAL 61 Ca -0.01 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1r57 h VAL 61 Cb 1.24 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1r57 h VAL 61 CO 0.14 0.49 0.02 -0.08 0.02 0.00 0.00 177.57 178.16 1r57 h GLU 62 N 0.41 0.04 -0.71 1.57 4.81 -0.16 0.54 114.58 121.08 1r57 h GLU 62 Ca 0.03 -0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1r57 h GLU 62 Cb 0.90 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.18 1r57 h GLU 62 CO 0.08 0.05 0.23 1.25 -0.73 0.00 0.00 179.01 179.89 1r57 h HIS 63 N 0.01 0.38 -0.41 0.92 2.76 -0.97 0.15 115.15 117.99 1r57 h HIS 63 Ca 0.01 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 1r57 h HIS 63 Cb 0.02 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1r57 h HIS 63 CO -0.07 -0.00 -0.32 0.00 -1.30 0.00 0.00 177.93 176.24 1r57 h ALA 64 N 1.55 0.66 -0.44 5.26 0.00 -0.40 -3.04 119.26 122.85 1r57 h ALA 64 Ca 0.39 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1r57 h ALA 64 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1r57 h ALA 64 CO -0.43 0.67 -0.17 0.00 0.00 0.00 0.00 179.25 179.32 1r57 h ARG 65 N 0.77 0.88 0.09 0.00 2.47 0.11 0.48 114.38 119.19 1r57 h ARG 65 Ca 0.08 -0.37 0.02 0.00 -1.26 0.00 0.00 59.98 58.45 1r57 h ARG 65 Cb 0.90 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.15 1r57 h ARG 65 CO 0.08 1.01 -0.20 0.93 0.56 0.00 0.00 179.97 182.35 1r57 h GLU 66 N 0.71 -0.36 -0.71 0.04 5.08 -0.74 -3.02 114.58 115.58 1r57 h GLU 66 Ca 0.10 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1r57 h GLU 66 Cb 0.73 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r57 h GLU 66 CO 0.06 -0.24 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 1r57 n ASN 67 N -5.33 3.93 -3.82 1.42 3.02 -1.15 -4.95 115.26 108.39 1r57 n ASN 67 Ca -0.06 -2.02 -0.24 0.00 -0.03 0.00 0.00 54.58 52.23 1r57 n ASN 67 Cb 0.24 -0.48 0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1r57 n ASN 67 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r57 n ASN 68 N 1.55 -1.13 -4.79 6.41 3.02 0.91 -4.95 115.26 116.27 1r57 n ASN 68 Ca 0.24 -0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 53.51 1r57 n ASN 68 Cb 0.62 -3.64 -0.06 0.00 -0.61 0.00 0.00 39.78 36.09 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r57 s LEU 69 N -6.84 4.48 0.22 3.41 1.43 0.13 -4.96 118.68 116.56 1r57 s LEU 69 Ca 0.07 1.22 -0.28 0.00 -1.03 0.00 0.00 54.13 54.11 1r57 s LEU 69 Cb -0.03 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 1r57 s LEU 69 CO 0.84 0.21 0.88 -0.54 0.23 0.00 0.00 176.35 177.97 1r57 s LYS 70 N -0.74 4.72 -0.17 1.70 1.02 0.12 -4.72 119.74 121.67 1r57 s LYS 70 Ca 0.30 1.35 -0.02 0.00 0.02 0.00 0.00 55.97 57.61 1r57 s LYS 70 Cb -0.19 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 1r57 s LYS 70 CO 0.18 0.51 -0.07 0.42 -0.92 0.00 0.00 175.35 175.47 1r57 s ILE 71 N -1.22 3.40 -0.09 2.17 1.01 0.23 -0.38 121.20 126.32 1r57 s ILE 71 Ca 0.40 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1r57 s ILE 71 Cb -0.24 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1r57 s ILE 71 CO 0.29 0.48 -0.19 0.27 0.00 0.00 0.00 174.94 175.79 1r57 s ILE 72 N 0.76 1.70 -0.13 2.92 -4.36 -0.83 0.02 121.20 121.29 1r57 s ILE 72 Ca -0.03 -0.80 -0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1r57 s ILE 72 Cb -0.15 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 1r57 s ILE 72 CO 0.02 0.48 -0.01 0.00 0.24 0.00 0.00 174.94 175.67 1r57 s ALA 73 N 0.51 3.19 -0.79 2.27 0.00 -1.26 -0.21 121.76 125.46 1r57 s ALA 73 Ca -0.16 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.09 1r57 s ALA 73 Cb -0.17 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1r57 s ALA 73 CO 0.06 0.38 0.57 0.45 0.00 0.00 0.00 175.76 177.23 1r57 n SER 74 N 2.89 1.05 -4.56 0.00 2.88 0.12 -4.93 113.62 111.07 1r57 n SER 74 Ca -0.18 -1.03 -0.40 0.00 -1.33 0.00 0.00 58.87 55.94 1r57 n SER 74 Cb 0.53 0.55 -0.10 0.00 -0.75 0.00 0.00 64.21 64.44 1r57 n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r57 h SER 76 N 8.38 0.43 0.10 0.00 0.87 -1.92 0.69 113.55 122.10 1r57 h SER 76 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1r57 h SER 76 Cb 1.15 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1r57 h SER 76 CO 0.66 0.28 -0.10 0.15 -0.53 0.00 0.00 176.83 177.29 1r57 h PHE 77 N 0.49 -0.25 -0.02 2.24 3.57 -1.93 -1.52 116.94 119.52 1r57 h PHE 77 Ca 0.23 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.48 1r57 h PHE 77 Cb 0.29 0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.14 1r57 h PHE 77 CO -0.00 -0.15 -0.98 0.00 -2.23 0.00 0.00 178.31 174.95 1r57 h ALA 78 N 0.67 0.23 -0.78 2.41 0.00 -1.79 -3.27 119.26 116.72 1r57 h ALA 78 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 54.91 54.32 1r57 h ALA 78 Cb 0.21 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1r57 h ALA 78 CO -0.02 0.72 0.43 -0.22 0.00 0.00 0.00 179.25 180.16 1r57 h LYS 79 N 0.37 0.69 0.00 0.00 3.64 -0.76 0.23 116.57 120.74 1r57 h LYS 79 Ca -0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.19 1r57 h LYS 79 Cb 1.62 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 1r57 h LYS 79 CO 0.19 0.46 -0.21 0.45 -2.27 0.00 0.00 179.45 178.07 1r57 h HIS 80 N 0.71 0.00 0.00 1.91 3.86 -1.33 -1.57 115.15 118.73 1r57 h HIS 80 Ca 0.38 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.37 1r57 h HIS 80 Cb 0.38 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1r57 h HIS 80 CO -0.08 0.21 -1.24 0.52 0.86 0.00 0.00 177.93 178.20 1r57 h MET 81 N 0.00 0.00 -0.25 2.45 2.86 -1.16 -2.67 114.93 116.16 1r57 h MET 81 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1r57 h MET 81 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1r57 h MET 81 CO 0.03 0.66 -0.46 -0.07 1.06 0.00 0.00 176.91 178.13 1r57 h LEU 82 N 0.00 0.83 -0.26 1.22 3.38 -0.50 -2.78 115.31 117.21 1r57 h LEU 82 Ca -0.13 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1r57 h LEU 82 Cb 1.78 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1r57 h LEU 82 CO 0.09 1.22 0.00 -0.33 0.09 0.00 0.00 178.44 179.51 1r57 h GLU 83 N 0.48 0.00 -0.14 1.13 5.08 -1.42 -3.28 114.58 116.42 1r57 h GLU 83 Ca 0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1r57 h GLU 83 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1r57 h GLU 83 CO 0.10 0.00 -0.15 -0.22 -1.00 0.00 0.00 179.01 177.74 1r57 h LYS 84 N 0.00 0.35 -6.46 2.33 3.64 -1.29 -3.45 116.57 111.69 1r57 h LYS 84 Ca 0.00 -0.19 -0.65 0.00 -1.27 0.00 0.00 60.65 58.54 1r57 h LYS 84 Cb 0.83 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.52 1r57 h LYS 84 CO 0.00 0.74 -0.71 -2.00 -2.27 0.00 0.00 179.45 175.22 1r57 s GLU 85 N -4.28 2.28 0.03 1.90 2.12 -1.07 -5.01 118.70 114.67 1r57 s GLU 85 Ca -0.14 -0.99 0.28 0.00 0.36 0.00 0.00 54.97 54.48 1r57 s GLU 85 Cb 0.05 -2.38 1.06 0.00 0.26 0.00 0.00 34.13 33.13 1r57 s GLU 85 CO 0.75 0.51 1.83 -0.40 -0.54 0.00 0.00 175.26 177.41 1r57 n ASP 86 N 0.54 0.19 0.00 -1.70 5.75 -1.26 -3.79 116.55 116.28 1r57 n ASP 86 Ca -0.12 0.40 0.10 0.00 -0.01 0.00 0.00 54.79 55.17 1r57 n ASP 86 Cb 0.53 -0.42 0.51 0.00 -1.03 0.00 0.00 41.12 40.70 1r57 n ASP 86 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1r57 n SER 87 N -1.62 0.00 -0.00 -1.12 7.64 -1.26 -2.90 113.62 114.36 1r57 n SER 87 Ca 0.07 0.20 0.03 0.00 1.01 0.00 0.00 58.87 60.17 1r57 n SER 87 Cb 0.35 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.14 1r57 n SER 87 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1r57 n TYR 88 N -1.38 0.00 0.93 1.43 4.01 -1.25 -4.72 117.16 116.18 1r57 n TYR 88 Ca 0.08 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.94 1r57 n TYR 88 Cb 0.20 -0.05 0.54 0.00 -0.31 0.00 0.00 39.34 39.73 1r57 n TYR 88 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1r57 n GLN 89 N -1.34 0.13 -0.05 -0.72 6.02 -1.14 -1.20 117.38 119.08 1r57 n GLN 89 Ca 0.00 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.93 1r57 n GLN 89 Cb 0.10 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.79 1r57 n GLN 89 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1r57 h ASP 90 N 0.00 0.55 0.00 1.08 1.82 -1.85 -3.37 116.42 114.66 1r57 h ASP 90 Ca 0.00 -0.58 -0.15 0.00 -0.39 0.00 0.00 57.03 55.91 1r57 h ASP 90 Cb 0.33 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.16 1r57 h ASP 90 CO 0.00 1.03 -2.02 1.33 -1.61 0.00 0.00 179.24 177.97 1r57 n VAL 91 N -4.34 0.56 -2.52 2.25 0.24 -1.11 -4.93 118.33 108.47 1r57 n VAL 91 Ca -0.07 -0.57 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 1r57 n VAL 91 Cb 0.51 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 1r57 n VAL 91 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1r57 s TYR 92 N -2.89 3.22 0.00 6.34 5.04 -0.34 -0.60 117.35 128.10 1r57 s TYR 92 Ca -0.08 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 1r57 s TYR 92 Cb 0.09 -3.37 0.00 0.00 0.35 0.00 0.00 41.96 39.03 1r57 s TYR 92 CO 0.75 -1.06 0.00 1.28 -1.34 0.00 0.00 175.55 175.18 1r57 n LEU 93 N 5.50 0.00 -3.70 6.97 4.77 0.10 -4.76 117.00 125.89 1r57 n LEU 93 Ca 0.11 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 1r57 n LEU 93 Cb 0.46 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1r57 n LEU 93 CO 0.54 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.26 1r57 n GLY 94 N 5.00 -0.39 0.07 -0.72 0.00 -1.26 -4.86 105.19 103.03 1r57 n GLY 94 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1r57 n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r57 h LEU 95 N -2.05 0.08 -9.38 0.99 6.46 -1.98 -3.45 115.31 105.99 1r57 h LEU 95 Ca -0.59 -0.68 -0.60 0.00 -0.12 0.00 0.00 57.88 55.89 1r57 h LEU 95 Cb 1.36 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 41.18 1r57 h LEU 95 CO 0.58 0.75 -0.31 -0.70 -0.62 0.00 0.00 178.44 178.14 1r57 s GLU 96 N -3.48 4.16 -1.33 1.25 2.12 -1.26 -4.99 118.70 115.16 1r57 s GLU 96 Ca -0.17 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.15 1r57 s GLU 96 Cb 0.01 -3.38 0.08 0.00 0.26 0.00 0.00 34.13 31.10 1r57 s GLU 96 CO 0.70 0.33 1.85 1.58 -0.54 0.00 0.00 175.26 179.18 1r57 n HIS 97 N 3.24 4.25 -1.82 5.30 -0.00 -1.26 -4.88 115.22 120.04 1r57 n HIS 97 Ca -0.12 -2.95 -0.40 0.00 -0.00 0.00 0.00 57.72 54.24 1r57 n HIS 97 Cb 0.52 -2.50 -0.01 0.00 -0.00 0.00 0.00 29.99 28.00 1r57 n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r57 n HIS 98 N 6.99 2.71 -3.62 1.57 -0.00 -1.26 -4.79 115.22 116.82 1r57 n HIS 98 Ca 0.47 -2.91 0.03 0.00 0.46 0.00 0.00 57.72 55.77 1r57 n HIS 98 Cb 0.43 -2.13 -0.00 0.00 -0.12 0.00 0.00 29.99 28.17 1r57 n HIS 98 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1r57 s HIS 99 N 0.58 -0.02 -2.30 1.57 3.76 -1.26 -4.97 115.29 112.65 1r57 s HIS 99 Ca 0.55 -0.04 0.22 0.00 -0.15 0.00 0.00 55.06 55.64 1r57 s HIS 99 Cb 0.16 0.53 0.77 0.00 1.11 0.00 0.00 32.58 35.15 1r57 s HIS 99 CO -0.07 -0.15 1.56 1.58 -0.85 0.00 0.00 174.74 176.82 1r57 n HIS 100 N -0.53 0.19 0.11 1.40 -0.00 -1.26 -4.65 115.22 110.49 1r57 n HIS 100 Ca -0.08 -0.10 0.00 0.00 0.46 0.00 0.00 57.72 58.00 1r57 n HIS 100 Cb 0.63 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.50 1r57 n HIS 100 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1r57 n HIS 101 N 0.33 -3.29 -1.79 1.57 1.44 -1.26 -5.28 115.22 106.94 1r57 n HIS 101 Ca 0.16 0.72 0.00 0.00 -2.01 0.00 0.00 57.72 56.59 1r57 n HIS 101 Cb 0.34 2.01 0.00 0.00 0.12 0.00 0.00 29.99 32.46 1r57 n HIS 101 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11