#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 8.27 -0.95 7.83 2.88 -1.26 -4.31 113.62 126.08 1r57 n SER 2 Ca 0.00 -2.78 0.11 0.00 -1.33 0.00 0.00 58.87 54.87 1r57 n SER 2 Cb 0.00 -1.50 0.12 0.00 -0.75 0.00 0.00 64.21 62.08 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 3.07 3.00 -4.53 -3.46 4.13 -1.26 -4.81 115.26 111.41 1r57 n ASN 3 Ca 0.72 -1.95 -0.42 0.00 1.68 0.00 0.00 54.58 54.60 1r57 n ASN 3 Cb 0.24 -0.05 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 1r57 n ASN 3 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1r57 s LEU 4 N -1.78 4.08 0.31 3.41 1.43 -1.26 -4.98 118.68 119.89 1r57 s LEU 4 Ca 0.29 -1.93 -0.22 0.00 -1.03 0.00 0.00 54.13 51.24 1r57 s LEU 4 Cb 0.19 -2.52 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 1r57 s LEU 4 CO 0.29 -1.26 0.85 -0.70 0.23 0.00 0.00 176.35 175.76 1r57 s GLU 5 N 3.97 4.34 -0.52 1.70 2.56 -1.26 -5.00 118.70 124.49 1r57 s GLU 5 Ca 0.44 1.07 -0.28 0.00 0.00 0.00 0.00 54.97 56.20 1r57 s GLU 5 Cb -0.01 -2.65 0.01 0.00 2.00 0.00 0.00 34.13 33.49 1r57 s GLU 5 CO -0.05 0.24 1.38 0.42 -0.56 0.00 0.00 175.26 176.68 1r57 s ILE 6 N -1.75 3.86 -0.31 -3.70 1.01 -1.26 -4.72 121.20 114.32 1r57 s ILE 6 Ca 0.51 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.71 1r57 s ILE 6 Cb -0.15 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1r57 s ILE 6 CO 0.20 -1.07 0.80 -0.54 0.00 0.00 0.00 174.94 174.33 1r57 s LYS 7 N 5.27 3.96 -0.11 2.79 -0.14 -0.70 -4.91 119.74 125.89 1r57 s LYS 7 Ca 0.54 0.59 -0.30 0.00 -1.36 0.00 0.00 55.97 55.44 1r57 s LYS 7 Cb -0.11 -3.73 -0.03 0.00 -1.68 0.00 0.00 37.83 32.28 1r57 s LYS 7 CO 0.27 -0.70 1.34 -0.65 -0.76 0.00 0.00 175.35 174.86 1r57 s GLN 8 N 2.99 4.25 0.00 1.68 -0.21 -1.26 -1.39 119.66 125.72 1r57 s GLN 8 Ca 0.33 1.80 0.00 0.00 0.02 0.00 0.00 55.36 57.51 1r57 s GLN 8 Cb -0.14 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1r57 s GLN 8 CO 0.13 -0.68 0.00 0.41 -2.12 0.00 0.00 175.29 173.03 1r57 n GLY 9 N 3.68 7.42 3.55 3.09 0.00 0.71 -4.98 105.19 118.66 1r57 n GLY 9 Ca 0.14 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 1r57 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r57 s GLU 10 N 0.63 2.59 -2.07 1.61 1.03 -1.26 -2.89 118.70 118.35 1r57 s GLU 10 Ca 0.00 0.21 0.00 0.00 0.03 0.00 0.00 54.97 55.21 1r57 s GLU 10 Cb 0.00 -4.69 0.00 0.00 -0.80 0.00 0.00 34.13 28.64 1r57 s GLU 10 CO 0.00 -3.03 0.00 -1.71 -1.33 0.00 0.00 175.26 169.19 1r57 n ASN 11 N 13.34 -5.65 -4.09 0.83 4.05 -1.26 -4.94 115.26 117.55 1r57 n ASN 11 Ca 0.29 0.33 -0.07 0.00 0.45 0.00 0.00 54.58 55.58 1r57 n ASN 11 Cb 0.50 -4.87 -0.10 0.00 1.23 0.00 0.00 39.78 36.54 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 177.26 172.62 1r57 s LYS 12 N -4.20 0.64 -0.21 1.20 -2.85 -1.14 -2.68 119.74 110.50 1r57 s LYS 12 Ca 0.00 -1.23 0.01 0.00 -1.00 0.00 0.00 55.97 53.75 1r57 s LYS 12 Cb 0.00 0.22 0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1r57 s LYS 12 CO 0.00 -0.13 -0.12 -0.06 0.10 0.00 0.00 175.35 175.14 1r57 s PHE 13 N -3.93 2.66 0.08 1.78 0.08 -0.17 -0.21 117.98 118.28 1r57 s PHE 13 Ca 0.08 -1.76 0.06 0.00 0.12 0.00 0.00 56.93 55.44 1r57 s PHE 13 Cb 0.08 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 1r57 s PHE 13 CO -0.09 -0.78 -0.17 1.52 -0.10 0.00 0.00 175.22 175.60 1r57 s TYR 14 N 1.32 1.41 0.01 0.36 1.13 -0.48 -2.16 117.35 118.93 1r57 s TYR 14 Ca -0.02 -0.45 -0.04 0.00 -1.41 0.00 0.00 57.07 55.16 1r57 s TYR 14 Cb -0.16 -0.79 -0.01 0.00 -1.10 0.00 0.00 41.96 39.90 1r57 s TYR 14 CO -0.08 0.11 0.06 0.42 -2.51 0.00 0.00 175.55 173.54 1r57 s ILE 15 N -1.24 0.09 -4.06 -3.49 1.01 -0.03 -1.72 121.20 111.77 1r57 s ILE 15 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1r57 s ILE 15 Cb -0.10 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1r57 s ILE 15 CO 0.03 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.16 1r57 n GLY 16 N 1.59 -2.44 0.20 6.18 0.00 -1.26 -0.67 105.19 108.79 1r57 n GLY 16 Ca -0.23 -1.25 0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -5.10 1.61 3.32 -1.98 -3.46 116.42 110.82 1r57 h ASP 17 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r57 h ASP 17 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1r57 h ASP 17 CO 0.00 0.35 0.07 -0.62 -1.72 0.00 0.00 179.24 177.31 1r57 s ASP 18 N -6.71 -0.22 0.29 6.45 2.15 -1.26 -5.01 116.67 112.35 1r57 s ASP 18 Ca -0.02 -0.65 0.13 0.00 0.43 0.00 0.00 52.55 52.44 1r57 s ASP 18 Cb 0.13 0.64 0.37 0.00 -0.30 0.00 0.00 42.92 43.77 1r57 s ASP 18 CO 0.70 -1.19 1.60 -0.08 -0.17 0.00 0.00 175.17 176.03 1r57 h GLU 19 N 2.14 0.00 -0.10 4.34 4.81 -1.95 -2.41 114.58 121.40 1r57 h GLU 19 Ca -0.24 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 1r57 h GLU 19 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1r57 h GLU 19 CO 0.31 0.58 -0.66 -0.97 -0.73 0.00 0.00 179.01 177.54 1r57 h ASN 20 N 0.00 0.46 -1.31 1.04 -0.73 -2.00 -3.24 115.58 109.79 1r57 h ASN 20 Ca -0.01 -0.28 -0.66 0.00 1.87 0.00 0.00 56.30 57.22 1r57 h ASN 20 Cb 1.13 -0.13 -0.34 0.00 0.27 0.00 0.00 38.32 39.25 1r57 h ASN 20 CO 0.08 0.99 0.27 0.59 -0.37 0.00 0.00 177.43 178.99 1r57 n ASN 21 N -3.87 6.53 -4.64 1.15 4.13 -1.07 -5.01 115.26 112.48 1r57 n ASN 21 Ca -0.04 -3.78 -0.42 0.00 1.68 0.00 0.00 54.58 52.02 1r57 n ASN 21 Cb 0.67 -0.77 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r57 s ALA 22 N -3.80 3.34 -1.83 5.41 0.00 -0.93 -4.02 121.76 119.93 1r57 s ALA 22 Ca 0.55 0.93 0.27 0.00 0.00 0.00 0.00 51.96 53.72 1r57 s ALA 22 Cb 0.45 -3.87 0.97 0.00 0.00 0.00 0.00 23.12 20.66 1r57 s ALA 22 CO -0.14 -1.88 1.70 1.28 0.00 0.00 0.00 175.76 176.72 1r57 n LEU 23 N 8.51 0.90 -3.73 0.00 4.77 0.04 -4.72 117.00 122.77 1r57 n LEU 23 Ca 0.21 -0.21 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 1r57 n LEU 23 Cb 0.43 -0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.23 1r57 n LEU 23 CO 0.66 0.16 -0.33 0.00 -1.33 0.00 0.00 177.39 176.55 1r57 s ALA 24 N -2.41 0.10 -0.25 -1.18 0.00 0.16 -0.11 121.76 118.06 1r57 s ALA 24 Ca 0.28 0.31 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1r57 s ALA 24 Cb 0.20 -0.44 0.13 0.00 0.00 0.00 0.00 23.12 23.01 1r57 s ALA 24 CO 0.48 -0.28 0.49 -2.00 0.00 0.00 0.00 175.76 174.44 1r57 s GLU 25 N 1.56 0.43 -0.07 0.00 2.56 -0.15 -0.85 118.70 122.19 1r57 s GLU 25 Ca -0.03 0.94 -0.04 0.00 0.00 0.00 0.00 54.97 55.84 1r57 s GLU 25 Cb -0.12 0.22 0.03 0.00 2.00 0.00 0.00 34.13 36.26 1r57 s GLU 25 CO -0.03 -0.45 0.16 -1.50 -0.56 0.00 0.00 175.26 172.88 1r57 s ILE 26 N 2.70 -0.02 -0.02 -3.70 2.07 -0.92 0.43 121.20 121.73 1r57 s ILE 26 Ca 0.07 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.47 1r57 s ILE 26 Cb -0.14 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 1r57 s ILE 26 CO -0.17 0.04 -0.22 0.42 -1.91 0.00 0.00 174.94 173.10 1r57 s THR 27 N 0.64 1.73 -0.33 4.00 -4.23 -0.54 -0.99 115.64 115.92 1r57 s THR 27 Ca -0.05 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 1r57 s THR 27 Cb -0.06 -1.44 0.10 0.00 1.34 0.00 0.00 72.50 72.43 1r57 s THR 27 CO -0.03 0.49 0.07 -0.72 -0.54 0.00 0.00 174.62 173.89 1r57 s TYR 28 N -0.47 2.88 -0.09 3.99 1.13 -1.09 -1.76 117.35 121.94 1r57 s TYR 28 Ca 0.07 -2.45 -0.13 0.00 -1.41 0.00 0.00 57.07 53.15 1r57 s TYR 28 Cb -0.09 -2.40 -0.05 0.00 -1.10 0.00 0.00 41.96 38.32 1r57 s TYR 28 CO -0.00 -0.92 0.31 1.03 -2.51 0.00 0.00 175.55 173.46 1r57 s ARG 29 N 1.21 3.93 -0.15 -3.49 0.52 0.26 -4.72 118.95 116.51 1r57 s ARG 29 Ca 0.10 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.20 1r57 s ARG 29 Cb -0.18 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1r57 s ARG 29 CO -0.15 0.54 1.23 -0.06 0.02 0.00 0.00 175.30 176.88 1r57 s PHE 30 N -0.49 2.96 -0.24 -0.53 0.40 -1.26 0.03 117.98 118.85 1r57 s PHE 30 Ca 0.19 1.09 -0.11 0.00 -0.60 0.00 0.00 56.93 57.50 1r57 s PHE 30 Cb -0.14 -3.47 -0.10 0.00 0.51 0.00 0.00 43.02 39.82 1r57 s PHE 30 CO 0.08 -1.51 -0.30 1.33 0.70 0.00 0.00 175.22 175.52 1r57 n VAL 31 N 5.22 1.29 0.00 -0.44 0.24 -0.99 -4.96 118.33 118.69 1r57 n VAL 31 Ca 0.13 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1r57 n VAL 31 Cb 0.45 -1.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 1r57 n VAL 31 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1r57 n ASP 32 N -4.01 0.00 0.00 -1.34 -0.08 -1.26 -5.06 116.55 104.81 1r57 n ASP 32 Ca -0.46 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 1r57 n ASP 32 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1r57 n ASP 32 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1r57 n ASN 33 N -0.92 0.18 0.00 1.67 0.23 -1.26 -4.91 115.26 110.25 1r57 n ASN 33 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1r57 n ASN 33 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1r57 n ASN 33 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1r57 n ASN 34 N -2.23 0.52 -4.58 0.53 3.02 -1.26 -5.02 115.26 106.24 1r57 n ASN 34 Ca 0.00 -1.02 -0.43 0.00 -0.03 0.00 0.00 54.58 53.10 1r57 n ASN 34 Cb 0.06 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1r57 s GLU 35 N -0.02 3.55 -0.44 3.52 8.01 -1.25 -0.57 118.70 131.50 1r57 s GLU 35 Ca 0.00 0.26 -0.22 0.00 0.01 0.00 0.00 54.97 55.03 1r57 s GLU 35 Cb 0.00 -3.98 0.02 0.00 -4.31 0.00 0.00 34.13 25.86 1r57 s GLU 35 CO 0.00 -1.53 0.71 0.96 0.01 0.00 0.00 175.26 175.40 1r57 s ILE 36 N 4.58 4.75 -0.41 -1.63 -4.36 0.11 -2.35 121.20 121.89 1r57 s ILE 36 Ca 0.42 0.27 -0.24 0.00 -0.26 0.00 0.00 60.65 60.85 1r57 s ILE 36 Cb -0.08 -4.25 0.02 0.00 1.25 0.00 0.00 42.46 39.39 1r57 s ILE 36 CO 0.27 -0.64 0.81 0.21 0.24 0.00 0.00 174.94 175.83 1r57 s ASN 37 N 2.05 6.50 -0.62 4.36 2.47 0.10 -2.12 114.94 127.68 1r57 s ASN 37 Ca 0.26 0.17 -0.27 0.00 0.42 0.00 0.00 52.86 53.44 1r57 s ASN 37 Cb -0.13 -2.40 -0.01 0.00 -1.45 0.00 0.00 41.25 37.25 1r57 s ASN 37 CO 0.20 -0.85 1.73 -0.63 -3.72 0.00 0.00 177.10 173.83 1r57 s ILE 38 N 3.28 3.45 -0.13 -5.21 1.01 0.77 -0.58 121.20 123.80 1r57 s ILE 38 Ca 0.32 0.27 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 1r57 s ILE 38 Cb -0.12 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1r57 s ILE 38 CO 0.20 -1.09 0.00 -0.78 0.00 0.00 0.00 174.94 173.28 1r57 h ASP 39 N 13.77 0.00 -3.39 3.58 1.82 -1.67 0.13 116.42 130.67 1r57 h ASP 39 Ca -0.27 -0.11 -0.65 0.00 -0.39 0.00 0.00 57.03 55.61 1r57 h ASP 39 Cb 1.14 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.95 1r57 h ASP 39 CO 1.22 0.70 -0.66 -2.28 -1.61 0.00 0.00 179.24 176.60 1r57 s HIS 40 N -1.92 3.03 -0.25 0.28 2.46 -1.25 -3.32 115.29 114.32 1r57 s HIS 40 Ca -0.09 -0.14 -0.03 0.00 0.47 0.00 0.00 55.06 55.27 1r57 s HIS 40 Cb 0.01 -1.87 0.10 0.00 -0.13 0.00 0.00 32.58 30.69 1r57 s HIS 40 CO 0.17 0.13 0.20 0.99 -2.47 0.00 0.00 174.74 173.77 1r57 s THR 41 N -0.11 -0.25 -0.29 0.89 2.01 -1.24 -1.47 115.64 115.18 1r57 s THR 41 Ca 0.02 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.65 1r57 s THR 41 Cb -0.13 -0.83 0.08 0.00 0.01 0.00 0.00 72.50 71.62 1r57 s THR 41 CO 0.02 -0.43 -0.04 -0.83 -0.69 0.00 0.00 174.62 172.65 1r57 s GLY 42 N 2.25 1.69 0.17 4.40 0.00 0.17 -4.87 107.32 111.14 1r57 s GLY 42 Ca 0.08 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.88 1r57 s GLY 42 CO -0.24 0.80 0.05 0.14 0.00 0.00 0.00 173.10 173.85 1r57 s VAL 43 N 1.09 3.97 -0.11 1.40 1.01 -1.26 -0.98 120.40 125.52 1r57 s VAL 43 Ca -0.01 -1.33 -0.36 0.00 0.00 0.00 0.00 61.98 60.28 1r57 s VAL 43 Cb -0.19 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.04 1r57 s VAL 43 CO -0.07 -0.12 1.75 -1.54 0.00 0.00 0.00 175.10 175.12 1r57 n SER 44 N -0.23 2.88 -1.35 3.32 3.41 0.85 -4.84 113.62 117.66 1r57 n SER 44 Ca -0.09 1.03 0.11 0.00 -0.26 0.00 0.00 58.87 59.66 1r57 n SER 44 Cb 0.55 -1.28 0.32 0.00 -0.26 0.00 0.00 64.21 63.54 1r57 n SER 44 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1r57 n ASP 45 N 5.45 3.93 0.05 4.04 5.75 -1.26 -3.65 116.55 130.85 1r57 n ASP 45 Ca 0.23 -2.08 -0.07 0.00 -0.01 0.00 0.00 54.79 52.86 1r57 n ASP 45 Cb 0.23 -0.49 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1r57 h GLU 46 N 4.09 -0.29 0.00 0.11 4.22 -2.00 -3.35 114.58 117.35 1r57 h GLU 46 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1r57 h GLU 46 Cb 1.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r57 h GLU 46 CO 0.04 -0.20 -0.24 1.28 -2.18 0.00 0.00 179.01 177.72 1r57 n LEU 47 N -3.65 1.02 0.00 1.64 4.77 -1.26 -5.12 117.00 114.40 1r57 n LEU 47 Ca -0.03 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.16 1r57 n LEU 47 Cb 0.16 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1r57 n LEU 47 CO 0.06 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1r57 n GLY 48 N -0.58 1.32 2.26 -0.72 0.00 -1.24 -4.75 105.19 101.49 1r57 n GLY 48 Ca 0.06 -2.13 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 0.18 3.97 3.57 -0.02 0.00 -1.24 -4.65 105.19 106.99 1r57 n GLY 49 Ca 0.00 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.07 1r57 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r57 s GLN 50 N 0.50 2.69 0.00 1.61 -0.21 -1.26 -3.10 119.66 119.89 1r57 s GLN 50 Ca 0.64 1.22 0.00 0.00 0.02 0.00 0.00 55.36 57.24 1r57 s GLN 50 Cb 0.27 -4.40 0.00 0.00 1.00 0.00 0.00 33.01 29.88 1r57 s GLN 50 CO -0.07 -2.62 0.00 0.41 -2.12 0.00 0.00 175.29 170.89 1r57 n GLY 51 N 5.73 1.07 0.17 3.09 0.00 -1.26 -4.66 105.19 109.35 1r57 n GLY 51 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 0.93 -0.91 1.61 2.07 -1.94 -0.13 116.25 117.89 1r57 h VAL 52 Ca 0.00 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1r57 h VAL 52 Cb 0.00 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1r57 h VAL 52 CO 0.00 0.07 0.60 1.23 0.02 0.00 0.00 177.57 179.48 1r57 h GLY 53 N 0.37 1.28 0.88 2.17 0.00 -1.81 -1.05 103.07 104.91 1r57 h GLY 53 Ca 0.18 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1r57 h GLY 53 CO -0.16 0.48 0.06 1.70 0.00 0.00 0.00 176.54 178.62 1r57 h LYS 54 N 1.23 0.42 -0.77 4.80 3.64 -1.64 -1.12 116.57 123.14 1r57 h LYS 54 Ca 0.33 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1r57 h LYS 54 Cb -0.13 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.59 1r57 h LYS 54 CO -0.07 0.52 0.48 -0.22 -2.27 0.00 0.00 179.45 177.89 1r57 h LYS 55 N 0.25 0.91 0.28 1.90 3.64 -0.60 0.19 116.57 123.13 1r57 h LYS 55 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1r57 h LYS 55 Cb 0.29 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1r57 h LYS 55 CO 0.00 0.60 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.58 1r57 h LEU 56 N 0.94 -0.32 -0.53 5.20 3.38 -1.09 -2.78 115.31 120.11 1r57 h LEU 56 Ca 0.31 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1r57 h LEU 56 Cb 0.03 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1r57 h LEU 56 CO -0.12 0.05 0.04 0.25 0.09 0.00 0.00 178.44 178.76 1r57 h LEU 57 N -0.73 0.88 -1.00 1.67 5.85 -1.03 -2.61 115.31 118.34 1r57 h LEU 57 Ca -0.04 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1r57 h LEU 57 Cb 0.49 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1r57 h LEU 57 CO 0.06 0.95 0.40 0.50 -0.34 0.00 0.00 178.44 180.01 1r57 h LYS 58 N 0.79 1.10 -0.65 1.25 3.64 -0.72 0.53 116.57 122.51 1r57 h LYS 58 Ca 0.16 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1r57 h LYS 58 Cb 0.47 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1r57 h LYS 58 CO 0.02 0.83 0.36 0.00 -2.27 0.00 0.00 179.45 178.39 1r57 h ALA 59 N 1.33 0.83 -0.02 5.00 0.00 -1.18 0.25 119.26 125.47 1r57 h ALA 59 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1r57 h ALA 59 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1r57 h ALA 59 CO -0.04 0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.83 1r57 h VAL 60 N 0.89 1.30 -0.84 0.00 2.07 -1.07 -2.61 116.25 115.99 1r57 h VAL 60 Ca 0.23 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1r57 h VAL 60 Cb 0.04 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1r57 h VAL 60 CO -0.04 0.24 0.55 0.58 0.02 0.00 0.00 177.57 178.92 1r57 h VAL 61 N -0.32 1.11 0.51 2.57 2.07 -0.73 0.23 116.25 121.69 1r57 h VAL 61 Ca 0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1r57 h VAL 61 Cb 0.39 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1r57 h VAL 61 CO 0.00 0.18 -0.24 -0.08 0.02 0.00 0.00 177.57 177.45 1r57 h GLU 62 N 1.00 -0.66 0.00 1.57 4.81 -0.44 -0.82 114.58 120.05 1r57 h GLU 62 Ca 0.34 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1r57 h GLU 62 Cb 0.09 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1r57 h GLU 62 CO -0.11 -0.43 -0.44 1.25 -0.73 0.00 0.00 179.01 178.55 1r57 h HIS 63 N -0.69 0.00 0.79 0.92 2.76 -1.15 -1.55 115.15 116.23 1r57 h HIS 63 Ca -0.07 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.06 1r57 h HIS 63 Cb 0.53 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.50 1r57 h HIS 63 CO -0.04 0.44 -0.38 0.00 -1.30 0.00 0.00 177.93 176.65 1r57 h ALA 64 N 1.56 -1.07 -0.59 5.26 0.00 -0.33 -1.91 119.26 122.18 1r57 h ALA 64 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1r57 h ALA 64 Cb 0.92 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1r57 h ALA 64 CO 0.06 -1.10 0.39 0.00 0.00 0.00 0.00 179.25 178.60 1r57 h ARG 65 N -1.07 0.70 -0.62 0.00 3.08 -1.05 0.39 114.38 115.80 1r57 h ARG 65 Ca -0.11 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.98 1r57 h ARG 65 Cb 0.82 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 1r57 h ARG 65 CO 0.18 0.46 0.27 1.49 -1.07 0.00 0.00 179.97 181.30 1r57 h GLU 66 N 0.72 0.47 -0.56 0.04 4.81 -1.04 -2.38 114.58 116.64 1r57 h GLU 66 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1r57 h GLU 66 Cb 0.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1r57 h GLU 66 CO -0.06 0.31 0.00 0.09 -0.73 0.00 0.00 179.01 178.62 1r57 n ASN 67 N -4.94 3.62 -3.54 1.04 5.03 -0.74 -4.94 115.26 110.80 1r57 n ASN 67 Ca 0.09 -1.98 -0.24 0.00 0.87 0.00 0.00 54.58 53.31 1r57 n ASN 67 Cb 0.25 -0.37 0.07 0.00 -1.02 0.00 0.00 39.78 38.71 1r57 n ASN 67 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1r57 n ASN 68 N 1.42 -6.19 -4.88 6.41 2.85 0.13 -4.99 115.26 110.01 1r57 n ASN 68 Ca 0.21 -0.52 -0.30 0.00 -0.11 0.00 0.00 54.58 53.86 1r57 n ASN 68 Cb 0.58 -4.89 -0.01 0.00 1.24 0.00 0.00 39.78 36.70 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1r57 s LEU 69 N -7.21 3.58 -0.09 1.20 1.43 0.11 -4.98 118.68 112.72 1r57 s LEU 69 Ca 0.55 1.20 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1r57 s LEU 69 Cb -0.25 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.80 1r57 s LEU 69 CO 0.68 -0.60 -0.12 -0.54 0.23 0.00 0.00 176.35 175.99 1r57 s LYS 70 N -4.51 2.95 -0.21 1.70 -0.14 0.27 -4.48 119.74 115.31 1r57 s LYS 70 Ca 0.52 -0.67 -0.08 0.00 -1.36 0.00 0.00 55.97 54.38 1r57 s LYS 70 Cb -0.10 -2.53 -0.04 0.00 -1.68 0.00 0.00 37.83 33.47 1r57 s LYS 70 CO 0.41 0.44 0.08 0.42 -0.76 0.00 0.00 175.35 175.95 1r57 s ILE 71 N -0.24 4.71 0.18 2.17 1.01 -0.83 0.04 121.20 128.25 1r57 s ILE 71 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.66 1r57 s ILE 71 Cb -0.13 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1r57 s ILE 71 CO 0.03 0.40 -0.08 0.27 0.00 0.00 0.00 174.94 175.55 1r57 s ILE 72 N 0.90 1.24 -0.01 2.92 -4.36 -0.90 -3.59 121.20 117.39 1r57 s ILE 72 Ca 0.04 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1r57 s ILE 72 Cb -0.14 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.56 1r57 s ILE 72 CO 0.03 -0.61 -0.05 0.00 0.24 0.00 0.00 174.94 174.55 1r57 s ALA 73 N -3.29 0.49 -0.25 2.27 0.00 -1.26 -0.16 121.76 119.56 1r57 s ALA 73 Ca 0.21 -0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.15 1r57 s ALA 73 Cb 0.03 -0.18 -0.23 0.00 0.00 0.00 0.00 23.12 22.73 1r57 s ALA 73 CO 0.04 0.08 0.46 0.43 0.00 0.00 0.00 175.76 176.77 1r57 n SER 74 N 3.20 1.07 -4.70 0.00 7.64 0.42 -4.88 113.62 116.37 1r57 n SER 74 Ca -0.16 -0.27 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 1r57 n SER 74 Cb 0.56 1.53 -0.03 0.00 -1.01 0.00 0.00 64.21 65.26 1r57 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r57 h SER 76 N 7.05 0.99 0.27 0.00 4.64 -1.92 -0.47 113.55 124.11 1r57 h SER 76 Ca -0.38 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1r57 h SER 76 Cb 1.19 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1r57 h SER 76 CO 0.82 0.85 -0.13 0.15 -0.87 0.00 0.00 176.83 177.65 1r57 h PHE 77 N 1.06 -0.34 -0.81 4.77 3.57 -1.92 -1.96 116.94 121.31 1r57 h PHE 77 Ca 0.26 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1r57 h PHE 77 Cb 0.12 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1r57 h PHE 77 CO 0.01 -0.13 0.41 0.00 -2.23 0.00 0.00 178.31 176.37 1r57 h ALA 78 N 0.21 1.05 0.02 2.41 0.00 -1.87 -1.40 119.26 119.68 1r57 h ALA 78 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1r57 h ALA 78 Cb 0.36 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1r57 h ALA 78 CO 0.06 0.59 -0.04 -0.22 0.00 0.00 0.00 179.25 179.64 1r57 h LYS 79 N 1.14 -0.08 0.00 0.00 3.64 -0.98 0.73 116.57 121.02 1r57 h LYS 79 Ca 0.28 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1r57 h LYS 79 Cb 0.09 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1r57 h LYS 79 CO -0.04 -0.05 -0.28 0.45 -2.27 0.00 0.00 179.45 177.25 1r57 h HIS 80 N -0.08 0.00 -0.19 1.91 3.86 -1.19 0.48 115.15 119.94 1r57 h HIS 80 Ca 0.01 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.04 1r57 h HIS 80 Cb 0.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1r57 h HIS 80 CO -0.10 0.28 -0.63 1.98 0.86 0.00 0.00 177.93 180.32 1r57 h MET 81 N 0.00 0.65 -0.40 2.45 1.85 -0.72 -0.51 114.93 118.26 1r57 h MET 81 Ca -0.00 -0.46 -0.16 0.00 -0.61 0.00 0.00 59.70 58.48 1r57 h MET 81 Cb 0.67 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.76 1r57 h MET 81 CO 0.04 1.08 -0.36 -0.07 -0.40 0.00 0.00 176.91 177.19 1r57 h LEU 82 N 0.48 1.00 -1.27 3.39 3.38 -0.24 -3.00 115.31 119.06 1r57 h LEU 82 Ca -0.01 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1r57 h LEU 82 Cb 1.21 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1r57 h LEU 82 CO 0.12 1.25 -0.35 -0.33 0.09 0.00 0.00 178.44 179.23 1r57 h GLU 83 N 0.78 0.00 0.75 1.13 5.08 -0.84 -3.31 114.58 118.17 1r57 h GLU 83 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1r57 h GLU 83 Cb 0.95 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 1r57 h GLU 83 CO 0.09 0.35 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.86 1r57 h LYS 84 N 0.00 -0.97 -6.28 2.33 3.11 -0.94 -3.44 116.57 110.38 1r57 h LYS 84 Ca -0.00 0.07 -0.55 0.00 -2.81 0.00 0.00 60.65 57.36 1r57 h LYS 84 Cb 0.68 0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 32.09 1r57 h LYS 84 CO 0.04 -0.65 0.16 -2.00 -2.81 0.00 0.00 179.45 174.19 1r57 s GLU 85 N -4.89 4.49 0.31 1.90 2.56 -1.22 -4.95 118.70 116.91 1r57 s GLU 85 Ca -0.15 1.06 -0.01 0.00 0.00 0.00 0.00 54.97 55.87 1r57 s GLU 85 Cb 0.01 -3.37 0.49 0.00 2.00 0.00 0.00 34.13 33.26 1r57 s GLU 85 CO 0.44 0.26 1.96 0.22 -0.56 0.00 0.00 175.26 177.59 1r57 h ASP 86 N 5.75 0.87 0.48 -1.70 3.58 -1.86 -2.47 116.42 121.07 1r57 h ASP 86 Ca -0.44 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 56.91 1r57 h ASP 86 Cb 1.20 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1r57 h ASP 86 CO 0.71 0.65 -0.33 0.77 -2.88 0.00 0.00 179.24 178.17 1r57 h SER 87 N 1.01 0.00 1.10 2.28 4.64 -1.92 -2.59 113.55 118.07 1r57 h SER 87 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1r57 h SER 87 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1r57 h SER 87 CO -0.05 0.33 0.00 -1.22 -0.87 0.00 0.00 176.83 175.02 1r57 n TYR 88 N -3.88 0.58 1.76 4.77 4.01 -0.93 -2.75 117.16 120.72 1r57 n TYR 88 Ca -0.01 0.19 0.12 0.00 -0.16 0.00 0.00 57.90 58.03 1r57 n TYR 88 Cb 0.40 -0.80 0.71 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.99 0.88 -0.06 -0.72 6.02 -0.98 -2.02 117.38 118.52 1r57 n GLN 89 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 1r57 n GLN 89 Cb 0.34 -1.43 -0.13 0.00 1.02 0.00 0.00 30.24 30.04 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 0.07 1.60 1.08 3.58 -1.71 -3.36 116.42 117.68 1r57 h ASP 90 Ca 0.00 -0.94 -0.00 0.00 0.42 0.00 0.00 57.03 56.50 1r57 h ASP 90 Cb 0.00 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1r57 h ASP 90 CO 0.00 1.12 -0.41 -0.37 -2.88 0.00 0.00 179.24 176.70 1r57 h VAL 91 N -0.90 0.02 -3.59 2.25 -1.51 -1.75 -3.42 116.25 107.35 1r57 h VAL 91 Ca -0.06 -1.04 -0.65 0.00 -1.23 0.00 0.00 66.70 63.72 1r57 h VAL 91 Cb 1.14 1.82 -0.15 0.00 -2.13 0.00 0.00 31.29 31.97 1r57 h VAL 91 CO 0.00 0.01 0.15 -0.47 -1.23 0.00 0.00 177.57 176.04 1r57 s TYR 92 N -3.26 3.06 0.08 5.19 5.04 -0.86 -1.96 117.35 124.65 1r57 s TYR 92 Ca 0.04 -0.00 -0.15 0.00 -2.44 0.00 0.00 57.07 54.51 1r57 s TYR 92 Cb 0.07 -3.37 -0.12 0.00 0.35 0.00 0.00 41.96 38.89 1r57 s TYR 92 CO 0.72 -0.87 1.36 -0.07 -1.34 0.00 0.00 175.55 175.35 1r57 h LEU 93 N 9.73 0.73 0.53 6.97 4.07 -1.83 -3.44 115.31 132.07 1r57 h LEU 93 Ca -0.25 -0.53 -0.18 0.00 0.08 0.00 0.00 57.88 56.99 1r57 h LEU 93 Cb 1.10 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.56 1r57 h LEU 93 CO 0.90 1.13 -0.17 0.61 -1.08 0.00 0.00 178.44 179.82 1r57 n GLY 94 N 0.36 0.94 2.63 0.83 0.00 -1.26 -4.91 105.19 103.78 1r57 n GLY 94 Ca -0.05 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1r57 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r57 n LEU 95 N -1.05 7.35 0.01 0.99 4.77 -1.26 -4.26 117.00 123.56 1r57 n LEU 95 Ca -0.09 -4.23 -0.01 0.00 -0.03 0.00 0.00 56.01 51.64 1r57 n LEU 95 Cb 0.33 -1.62 -0.00 0.00 -2.33 0.00 0.00 43.42 39.79 1r57 n LEU 95 CO 0.13 1.38 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.88 1r57 n GLU 96 N 5.30 0.06 -4.00 3.23 1.02 -1.26 -5.05 120.64 119.94 1r57 n GLU 96 Ca 0.58 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 57.39 1r57 n GLU 96 Cb 0.35 -0.44 -0.07 0.00 -0.02 0.00 0.00 31.44 31.26 1r57 n GLU 96 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1r57 s HIS 97 N -1.69 3.48 0.01 -0.32 -3.43 -1.26 -5.08 115.29 107.00 1r57 s HIS 97 Ca -0.03 0.42 -0.29 0.00 -0.80 0.00 0.00 55.06 54.36 1r57 s HIS 97 Cb 0.00 -1.88 -0.04 0.00 -1.43 0.00 0.00 32.58 29.23 1r57 s HIS 97 CO 0.05 0.66 0.94 -1.01 -2.00 0.00 0.00 174.74 173.38 1r57 s HIS 98 N -1.04 3.68 0.00 0.38 3.76 -1.26 -5.00 115.29 115.81 1r57 s HIS 98 Ca 0.16 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1r57 s HIS 98 Cb -0.12 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1r57 s HIS 98 CO 0.06 0.04 0.04 1.58 -0.85 0.00 0.00 174.74 175.61 1r57 n HIS 99 N 3.67 0.00 -2.83 1.40 -0.00 -1.26 -4.76 115.22 111.44 1r57 n HIS 99 Ca 0.04 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 1r57 n HIS 99 Cb 0.51 -0.20 -0.04 0.00 -0.12 0.00 0.00 29.99 30.14 1r57 n HIS 99 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1r57 s HIS 100 N -0.47 3.38 0.36 1.57 3.76 -1.26 -5.00 115.29 117.63 1r57 s HIS 100 Ca 0.00 1.29 -0.10 0.00 -0.15 0.00 0.00 55.06 56.11 1r57 s HIS 100 Cb 0.00 -3.09 0.03 0.00 1.11 0.00 0.00 32.58 30.63 1r57 s HIS 100 CO 0.00 -0.34 0.64 -3.38 -0.85 0.00 0.00 174.74 170.82 1r57 s HIS 101 N 2.56 0.55 0.00 1.40 -0.00 -1.26 -5.27 115.29 113.27 1r57 s HIS 101 Ca 0.39 -1.02 0.00 0.00 -0.00 0.00 0.00 55.06 54.44 1r57 s HIS 101 Cb -0.16 0.41 0.00 0.00 -0.00 0.00 0.00 32.58 32.83 1r57 s HIS 101 CO 0.10 -1.36 0.48 -2.39 -0.00 0.00 0.00 174.74 171.57