#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 -4.64 -4.70 7.83 7.64 -1.26 -4.96 113.62 113.52 1r57 n SER 2 Ca 0.00 -0.48 -0.42 0.00 1.01 0.00 0.00 58.87 58.98 1r57 n SER 2 Cb 0.00 -4.39 -0.03 0.00 -1.01 0.00 0.00 64.21 58.77 1r57 n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1r57 s ASN 3 N -3.54 7.28 -0.29 6.43 -0.87 -1.26 -4.92 114.94 117.77 1r57 s ASN 3 Ca 0.35 1.55 0.03 0.00 -1.57 0.00 0.00 52.86 53.22 1r57 s ASN 3 Cb -0.16 -2.54 0.43 0.00 -0.02 0.00 0.00 41.25 38.96 1r57 s ASN 3 CO 0.62 -0.28 1.59 0.18 -2.57 0.00 0.00 177.10 176.64 1r57 n LEU 4 N 4.14 5.40 -4.76 0.60 7.99 -1.26 -4.69 117.00 124.42 1r57 n LEU 4 Ca 0.05 -2.85 -0.40 0.00 -0.01 0.00 0.00 56.01 52.80 1r57 n LEU 4 Cb 0.51 -0.72 -0.04 0.00 -0.11 0.00 0.00 43.42 43.06 1r57 n LEU 4 CO 0.51 0.85 0.81 -0.70 -1.51 0.00 0.00 177.39 177.35 1r57 s GLU 5 N -2.11 4.55 -0.54 3.23 2.56 -1.26 -4.97 118.70 120.16 1r57 s GLU 5 Ca 0.36 1.83 -0.26 0.00 0.00 0.00 0.00 54.97 56.90 1r57 s GLU 5 Cb 0.31 -3.10 0.03 0.00 2.00 0.00 0.00 34.13 33.37 1r57 s GLU 5 CO 0.07 0.12 1.04 0.42 -0.56 0.00 0.00 175.26 176.34 1r57 s ILE 6 N -1.21 4.26 -0.28 -3.70 1.01 -1.26 -4.33 121.20 115.69 1r57 s ILE 6 Ca 0.47 0.63 -0.29 0.00 0.00 0.00 0.00 60.65 61.46 1r57 s ILE 6 Cb -0.32 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.57 1r57 s ILE 6 CO 0.41 -1.14 1.16 -0.54 0.00 0.00 0.00 174.94 174.84 1r57 s LYS 7 N 4.29 4.07 -0.02 2.79 1.02 -0.39 -4.91 119.74 126.61 1r57 s LYS 7 Ca 0.37 1.25 -0.10 0.00 0.02 0.00 0.00 55.97 57.51 1r57 s LYS 7 Cb -0.10 -3.77 -0.05 0.00 -0.52 0.00 0.00 37.83 33.39 1r57 s LYS 7 CO 0.23 -0.90 0.31 1.14 -0.92 0.00 0.00 175.35 175.21 1r57 s GLN 8 N 3.72 3.69 0.05 1.68 -2.07 -1.26 -1.13 119.66 124.34 1r57 s GLN 8 Ca 0.50 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.17 1r57 s GLN 8 Cb -0.15 -3.14 -0.00 0.00 -1.09 0.00 0.00 33.01 28.62 1r57 s GLN 8 CO 0.16 0.68 0.05 0.41 -1.32 0.00 0.00 175.29 175.28 1r57 n GLY 9 N 1.55 3.45 3.60 2.60 0.00 0.71 -5.00 105.19 112.09 1r57 n GLY 9 Ca -0.14 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 1r57 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r57 s GLU 10 N -2.14 3.48 0.00 1.61 2.02 -1.26 -2.74 118.70 119.67 1r57 s GLU 10 Ca 0.05 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1r57 s GLU 10 Cb 0.00 -4.08 0.00 0.00 0.10 0.00 0.00 34.13 30.15 1r57 s GLU 10 CO 0.03 -1.68 0.00 0.09 0.02 0.00 0.00 175.26 173.72 1r57 n ASN 11 N 9.28 -2.02 -3.97 -0.19 5.03 -1.26 -4.97 115.26 117.17 1r57 n ASN 11 Ca 0.18 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.45 1r57 n ASN 11 Cb 0.48 -1.37 -0.15 0.00 -1.02 0.00 0.00 39.78 37.72 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1r57 s LYS 12 N -0.61 0.63 -0.24 3.52 -2.85 -1.11 -2.20 119.74 116.88 1r57 s LYS 12 Ca 0.00 -0.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.77 1r57 s LYS 12 Cb 0.00 -0.62 0.05 0.00 -2.06 0.00 0.00 37.83 35.21 1r57 s LYS 12 CO 0.00 0.10 -0.10 -0.06 0.10 0.00 0.00 175.35 175.39 1r57 s PHE 13 N 0.07 2.89 -0.09 1.78 0.08 0.06 -0.21 117.98 122.56 1r57 s PHE 13 Ca -0.01 -2.03 0.02 0.00 0.12 0.00 0.00 56.93 55.04 1r57 s PHE 13 Cb -0.05 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1r57 s PHE 13 CO -0.00 -0.83 -0.14 1.52 -0.10 0.00 0.00 175.22 175.67 1r57 s TYR 14 N 1.23 1.80 -0.29 0.36 1.13 -0.28 -0.72 117.35 120.58 1r57 s TYR 14 Ca -0.06 -0.77 -0.16 0.00 -1.41 0.00 0.00 57.07 54.67 1r57 s TYR 14 Cb -0.19 -1.30 -0.03 0.00 -1.10 0.00 0.00 41.96 39.35 1r57 s TYR 14 CO -0.06 -0.39 0.42 0.42 -2.51 0.00 0.00 175.55 173.43 1r57 s ILE 15 N 0.84 5.13 0.00 -3.49 1.01 0.98 -1.26 121.20 124.41 1r57 s ILE 15 Ca -0.10 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.08 1r57 s ILE 15 Cb -0.15 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1r57 s ILE 15 CO 0.01 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.61 1r57 n GLY 16 N 4.68 -0.39 0.00 6.18 0.00 -1.26 -1.23 105.19 113.17 1r57 n GLY 16 Ca -0.07 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.09 1r57 n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r57 n ASP 17 N 0.00 0.74 -3.83 1.61 2.03 -0.97 -4.91 116.55 111.22 1r57 n ASP 17 Ca 0.00 -0.58 -0.09 0.00 0.52 0.00 0.00 54.79 54.64 1r57 n ASP 17 Cb 0.00 0.70 -0.03 0.00 -0.72 0.00 0.00 41.12 41.07 1r57 n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r57 s ASP 18 N -3.16 -0.24 0.33 1.67 2.15 -1.23 -4.96 116.67 111.24 1r57 s ASP 18 Ca 0.08 -0.61 0.08 0.00 0.43 0.00 0.00 52.55 52.54 1r57 s ASP 18 Cb 0.16 0.63 0.58 0.00 -0.30 0.00 0.00 42.92 44.00 1r57 s ASP 18 CO 0.80 -1.17 1.78 -0.33 -0.17 0.00 0.00 175.17 176.07 1r57 h GLU 19 N 2.13 0.20 0.00 4.34 5.08 -1.99 -2.57 114.58 121.77 1r57 h GLU 19 Ca -0.25 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 57.93 1r57 h GLU 19 Cb 1.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1r57 h GLU 19 CO 0.32 0.51 -0.88 -0.91 -1.00 0.00 0.00 179.01 177.05 1r57 h ASN 20 N 0.18 0.00 -1.77 1.42 2.35 -2.01 -3.33 115.58 112.42 1r57 h ASN 20 Ca 0.02 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.08 1r57 h ASN 20 Cb 0.67 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 38.71 1r57 h ASN 20 CO 0.05 0.42 0.33 -3.20 -1.65 0.00 0.00 177.43 173.37 1r57 n ASN 21 N -3.01 6.39 -4.52 5.81 2.85 -1.00 -4.95 115.26 116.83 1r57 n ASN 21 Ca -0.03 -3.79 -0.42 0.00 -0.11 0.00 0.00 54.58 50.23 1r57 n ASN 21 Cb 0.73 -0.82 -0.08 0.00 1.24 0.00 0.00 39.78 40.85 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1r57 s ALA 22 N -3.85 3.44 -1.26 5.20 0.00 -1.01 -2.30 121.76 121.98 1r57 s ALA 22 Ca 0.51 -1.31 0.26 0.00 0.00 0.00 0.00 51.96 51.42 1r57 s ALA 22 Cb 0.43 -3.03 0.70 0.00 0.00 0.00 0.00 23.12 21.22 1r57 s ALA 22 CO -0.31 -1.43 1.54 1.28 0.00 0.00 0.00 175.76 176.84 1r57 n LEU 23 N 5.66 0.59 -3.25 0.00 4.77 -0.37 -4.56 117.00 119.85 1r57 n LEU 23 Ca -0.06 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 1r57 n LEU 23 Cb 0.48 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1r57 n LEU 23 CO 0.46 0.13 -0.01 0.00 -1.33 0.00 0.00 177.39 176.63 1r57 s ALA 24 N -2.82 -1.53 -0.23 -1.18 0.00 -0.99 -0.31 121.76 114.70 1r57 s ALA 24 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1r57 s ALA 24 Cb 0.18 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.86 1r57 s ALA 24 CO 0.62 -2.19 -0.07 -2.00 0.00 0.00 0.00 175.76 172.12 1r57 s GLU 25 N 1.59 3.12 -0.11 0.00 2.12 -0.73 -0.01 118.70 124.68 1r57 s GLU 25 Ca 0.17 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.73 1r57 s GLU 25 Cb -0.08 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 1r57 s GLU 25 CO -0.05 -0.28 -0.16 -1.50 -0.54 0.00 0.00 175.26 172.72 1r57 s ILE 26 N 1.40 2.77 -0.01 -3.70 2.07 0.10 0.61 121.20 124.44 1r57 s ILE 26 Ca 0.04 -0.77 0.06 0.00 -1.41 0.00 0.00 60.65 58.56 1r57 s ILE 26 Cb -0.15 -2.13 -0.02 0.00 0.13 0.00 0.00 42.46 40.30 1r57 s ILE 26 CO -0.05 0.54 -0.19 0.42 -1.91 0.00 0.00 174.94 173.75 1r57 s THR 27 N 0.23 1.48 -0.07 4.00 -4.23 -0.15 -0.76 115.64 116.14 1r57 s THR 27 Ca -0.11 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1r57 s THR 27 Cb -0.16 -1.23 -0.00 0.00 1.34 0.00 0.00 72.50 72.44 1r57 s THR 27 CO 0.06 0.38 -0.21 -0.72 -0.54 0.00 0.00 174.62 173.59 1r57 s TYR 28 N -0.48 2.19 0.04 3.99 1.13 -0.94 -3.98 117.35 119.30 1r57 s TYR 28 Ca 0.07 -0.76 0.08 0.00 -1.41 0.00 0.00 57.07 55.06 1r57 s TYR 28 Cb -0.07 -1.47 -0.03 0.00 -1.10 0.00 0.00 41.96 39.29 1r57 s TYR 28 CO -0.00 -0.28 -0.23 -0.98 -2.51 0.00 0.00 175.55 171.54 1r57 s ARG 29 N 0.15 1.62 0.18 -3.49 1.70 0.60 -4.83 118.95 114.88 1r57 s ARG 29 Ca -0.10 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 53.85 1r57 s ARG 29 Cb -0.15 -1.75 -0.08 0.00 -0.57 0.00 0.00 34.95 32.41 1r57 s ARG 29 CO 0.05 0.45 1.02 -0.06 -1.08 0.00 0.00 175.30 175.68 1r57 s PHE 30 N -0.78 3.75 -0.13 5.89 0.40 -1.26 0.24 117.98 126.10 1r57 s PHE 30 Ca 0.10 1.75 -0.05 0.00 -0.60 0.00 0.00 56.93 58.12 1r57 s PHE 30 Cb -0.09 -3.14 -0.06 0.00 0.51 0.00 0.00 43.02 40.24 1r57 s PHE 30 CO 0.02 -0.09 -0.15 1.33 0.70 0.00 0.00 175.22 177.02 1r57 n VAL 31 N 2.20 0.69 0.00 -0.44 0.24 -1.12 -4.87 118.33 115.02 1r57 n VAL 31 Ca 0.01 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1r57 n VAL 31 Cb 0.47 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.27 1r57 n VAL 31 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1r57 n ASP 32 N -3.47 0.00 0.00 -1.34 8.00 -1.25 -5.09 116.55 113.40 1r57 n ASP 32 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1r57 n ASP 32 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1r57 n ASP 32 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r57 n ASN 33 N 0.00 0.00 -1.05 -2.24 5.15 -1.26 -4.90 115.26 110.96 1r57 n ASN 33 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 1r57 n ASN 33 Cb 0.00 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 39.51 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 -1.31 3.06 -4.43 1.20 6.94 -1.26 -4.82 115.26 114.64 1r57 n ASN 34 Ca 0.00 -1.97 -0.35 0.00 -0.02 0.00 0.00 54.58 52.24 1r57 n ASN 34 Cb 0.00 -0.34 -0.13 0.00 -2.36 0.00 0.00 39.78 36.96 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1r57 s GLU 35 N -1.33 3.60 -0.15 -3.83 2.02 -1.26 -0.09 118.70 117.67 1r57 s GLU 35 Ca 0.39 -0.53 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 1r57 s GLU 35 Cb 0.21 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 1r57 s GLU 35 CO 0.28 -0.03 -0.09 0.96 0.02 0.00 0.00 175.26 176.40 1r57 s ILE 36 N 1.11 3.40 -0.18 -1.63 -4.36 0.70 -2.80 121.20 117.45 1r57 s ILE 36 Ca 0.03 -0.53 -0.13 0.00 -0.26 0.00 0.00 60.65 59.75 1r57 s ILE 36 Cb -0.14 -2.46 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1r57 s ILE 36 CO 0.01 0.51 0.28 0.21 0.24 0.00 0.00 174.94 176.19 1r57 s ASN 37 N 0.42 6.38 -0.54 4.36 3.84 0.14 -0.62 114.94 128.92 1r57 s ASN 37 Ca -0.07 0.44 -0.13 0.00 0.21 0.00 0.00 52.86 53.31 1r57 s ASN 37 Cb -0.15 -2.17 0.13 0.00 -0.55 0.00 0.00 41.25 38.51 1r57 s ASN 37 CO 0.04 0.08 0.46 -0.63 -2.79 0.00 0.00 177.10 174.26 1r57 s ILE 38 N 0.63 4.79 -0.10 -5.21 1.01 -0.88 -0.29 121.20 121.16 1r57 s ILE 38 Ca 0.15 -1.74 0.21 0.00 0.00 0.00 0.00 60.65 59.27 1r57 s ILE 38 Cb -0.13 -4.09 -0.24 0.00 0.01 0.00 0.00 42.46 38.00 1r57 s ILE 38 CO 0.04 -0.85 0.57 -0.90 0.00 0.00 0.00 174.94 173.80 1r57 n ASP 39 N 4.96 0.25 -3.99 3.58 5.75 -1.26 0.06 116.55 125.92 1r57 n ASP 39 Ca -0.09 0.10 -0.30 0.00 -0.01 0.00 0.00 54.79 54.49 1r57 n ASP 39 Cb 0.41 1.37 -0.16 0.00 -1.03 0.00 0.00 41.12 41.71 1r57 n ASP 39 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1r57 s HIS 40 N -3.28 2.40 -0.35 2.11 5.04 -1.26 -4.18 115.29 115.77 1r57 s HIS 40 Ca -0.06 -1.61 -0.00 0.00 -1.54 0.00 0.00 55.06 51.85 1r57 s HIS 40 Cb 0.11 -1.62 0.14 0.00 0.04 0.00 0.00 32.58 31.25 1r57 s HIS 40 CO 0.87 -0.74 0.20 0.99 -2.34 0.00 0.00 174.74 173.72 1r57 s THR 41 N 1.40 0.25 -1.27 0.89 2.01 -1.25 -0.97 115.64 116.69 1r57 s THR 41 Ca -0.02 -1.70 -0.12 0.00 0.31 0.00 0.00 61.69 60.15 1r57 s THR 41 Cb -0.17 -1.19 0.15 0.00 0.01 0.00 0.00 72.50 71.30 1r57 s THR 41 CO -0.08 -0.96 1.73 0.61 -0.69 0.00 0.00 174.62 175.24 1r57 n GLY 42 N 4.11 4.02 3.66 4.40 0.00 0.20 -4.85 105.19 116.74 1r57 n GLY 42 Ca 0.10 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1r57 n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r57 s VAL 43 N 1.41 5.21 1.05 1.61 1.01 -1.26 -1.78 120.40 127.65 1r57 s VAL 43 Ca 0.43 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.92 1r57 s VAL 43 Cb 0.05 -3.71 0.22 0.00 0.00 0.00 0.00 36.38 32.93 1r57 s VAL 43 CO 0.00 0.25 1.12 -0.44 0.00 0.00 0.00 175.10 176.03 1r57 s SER 44 N 1.10 2.21 0.00 3.32 0.01 0.58 -4.87 113.70 116.04 1r57 s SER 44 Ca 0.18 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1r57 s SER 44 Cb -0.15 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.73 1r57 s SER 44 CO 0.08 -3.35 1.06 -0.90 0.41 0.00 0.00 173.24 170.54 1r57 n ASP 45 N -4.28 3.02 -3.72 2.44 5.75 -1.26 -4.28 116.55 114.21 1r57 n ASP 45 Ca 0.09 -1.77 -0.42 0.00 -0.01 0.00 0.00 54.79 52.68 1r57 n ASP 45 Cb 0.59 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1r57 n GLU 46 N 0.92 4.00 0.00 0.11 -0.58 -1.26 -4.63 120.64 119.20 1r57 n GLU 46 Ca 0.00 -3.52 0.00 0.00 -0.42 0.00 0.00 57.16 53.22 1r57 n GLU 46 Cb 0.40 -2.81 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1r57 n GLU 46 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r57 n LEU 47 N 3.02 0.00 0.00 -4.62 7.94 -1.26 -4.83 117.00 117.24 1r57 n LEU 47 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 1r57 n LEU 47 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 1r57 n LEU 47 CO 0.77 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.66 1r57 n GLY 48 N -1.31 1.90 2.33 -3.96 0.00 -1.26 -4.31 105.19 98.58 1r57 n GLY 48 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 3.98 0.09 -0.02 0.00 -1.26 -2.55 105.19 105.42 1r57 n GLY 49 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1r57 n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1r57 n GLN 50 N 1.50 0.51 0.00 1.61 0.00 -1.26 -4.74 117.38 115.00 1r57 n GLN 50 Ca 0.49 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 1r57 n GLN 50 Cb 0.64 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.31 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 1.49 0.00 0.19 1.69 0.00 -1.26 -4.75 105.19 102.54 1r57 n GLY 51 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 1.22 -0.83 1.61 2.07 -1.91 0.59 116.25 119.01 1r57 h VAL 52 Ca 0.00 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1r57 h VAL 52 Cb 0.03 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1r57 h VAL 52 CO 0.00 0.26 0.49 1.23 0.02 0.00 0.00 177.57 179.56 1r57 h GLY 53 N 0.42 1.22 2.00 2.17 0.00 -1.84 -2.51 103.07 104.54 1r57 h GLY 53 Ca 0.11 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 1r57 h GLY 53 CO 0.00 0.51 -0.55 0.50 0.00 0.00 0.00 176.54 177.00 1r57 h LYS 54 N 1.15 0.00 -0.41 4.80 1.57 -1.76 -2.89 116.57 119.03 1r57 h LYS 54 Ca 0.30 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1r57 h LYS 54 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1r57 h LYS 54 CO -0.05 0.55 0.21 -0.22 -0.57 0.00 0.00 179.45 179.37 1r57 h LYS 55 N 0.00 0.41 0.34 3.15 1.63 -0.44 0.19 116.57 121.85 1r57 h LYS 55 Ca -0.01 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1r57 h LYS 55 Cb 1.08 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1r57 h LYS 55 CO 0.07 0.27 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.11 1r57 h LEU 56 N 0.42 -0.38 -0.81 5.20 3.38 -1.42 -2.87 115.31 118.83 1r57 h LEU 56 Ca 0.17 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1r57 h LEU 56 Cb 0.07 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1r57 h LEU 56 CO -0.11 -0.19 0.51 -0.07 0.09 0.00 0.00 178.44 178.66 1r57 h LEU 57 N -0.55 0.82 -0.90 1.67 4.07 -1.29 -1.24 115.31 117.89 1r57 h LEU 57 Ca -0.05 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1r57 h LEU 57 Cb 0.41 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1r57 h LEU 57 CO 0.08 0.55 0.50 0.50 -1.08 0.00 0.00 178.44 178.99 1r57 h LYS 58 N 0.97 1.24 -0.29 1.13 3.64 -0.96 0.22 116.57 122.52 1r57 h LYS 58 Ca 0.34 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1r57 h LYS 58 Cb 0.08 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1r57 h LYS 58 CO -0.14 0.90 -0.23 0.00 -2.27 0.00 0.00 179.45 177.71 1r57 h ALA 59 N 1.27 1.07 -0.11 5.00 0.00 -1.10 -1.62 119.26 123.77 1r57 h ALA 59 Ca 0.32 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1r57 h ALA 59 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r57 h ALA 59 CO -0.05 0.57 -0.38 0.28 0.00 0.00 0.00 179.25 179.67 1r57 h VAL 60 N 0.49 1.38 -0.64 0.00 2.07 -0.53 -3.06 116.25 115.97 1r57 h VAL 60 Ca 0.07 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1r57 h VAL 60 Cb 0.66 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1r57 h VAL 60 CO 0.05 0.51 0.42 0.58 0.02 0.00 0.00 177.57 179.14 1r57 h VAL 61 N 0.02 1.11 -0.00 2.57 2.07 -0.47 0.34 116.25 121.89 1r57 h VAL 61 Ca -0.02 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.26 1r57 h VAL 61 Cb 1.01 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1r57 h VAL 61 CO 0.08 0.14 -0.15 -0.08 0.02 0.00 0.00 177.57 177.59 1r57 h GLU 62 N 0.78 -0.24 -0.03 1.57 4.57 -1.27 0.20 114.58 120.18 1r57 h GLU 62 Ca 0.25 0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.31 1r57 h GLU 62 Cb 0.03 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 1r57 h GLU 62 CO -0.06 -0.16 -0.62 1.25 -1.18 0.00 0.00 179.01 178.23 1r57 h HIS 63 N -0.24 0.12 0.73 0.92 2.76 -1.28 -2.35 115.15 115.80 1r57 h HIS 63 Ca 0.05 -0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1r57 h HIS 63 Cb 0.31 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.25 1r57 h HIS 63 CO -0.20 0.69 -0.35 0.00 -1.30 0.00 0.00 177.93 176.77 1r57 h ALA 64 N 1.29 -1.01 -0.76 5.26 0.00 0.09 -2.60 119.26 121.54 1r57 h ALA 64 Ca -0.01 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1r57 h ALA 64 Cb 1.12 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 1r57 h ALA 64 CO 0.09 -0.94 0.50 -0.09 0.00 0.00 0.00 179.25 178.81 1r57 h ARG 65 N -1.23 0.80 -0.57 0.00 2.43 -0.67 0.53 114.38 115.68 1r57 h ARG 65 Ca -0.10 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1r57 h ARG 65 Cb 0.75 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.06 1r57 h ARG 65 CO 0.16 0.53 0.25 1.49 -1.51 0.00 0.00 179.97 180.89 1r57 h GLU 66 N 0.82 0.45 -0.44 0.20 4.81 -1.40 -1.93 114.58 117.08 1r57 h GLU 66 Ca 0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1r57 h GLU 66 Cb 0.22 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1r57 h GLU 66 CO -0.11 0.30 0.00 0.09 -0.73 0.00 0.00 179.01 178.56 1r57 n ASN 67 N -4.94 3.27 -0.84 1.04 5.03 -0.58 -4.91 115.26 113.32 1r57 n ASN 67 Ca 0.07 -1.96 -0.11 0.00 0.87 0.00 0.00 54.58 53.44 1r57 n ASN 67 Cb 0.21 -0.29 -0.05 0.00 -1.02 0.00 0.00 39.78 38.63 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 1.34 -4.72 -4.77 6.41 5.15 0.52 -4.96 115.26 114.22 1r57 n ASN 68 Ca 0.20 0.27 -0.39 0.00 -0.60 0.00 0.00 54.58 54.06 1r57 n ASN 68 Cb 0.56 -3.19 -0.02 0.00 -0.53 0.00 0.00 39.78 36.60 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r57 s LEU 69 N -2.51 4.30 -0.08 1.20 1.43 0.15 -4.92 118.68 118.26 1r57 s LEU 69 Ca 0.00 2.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1r57 s LEU 69 Cb 0.00 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1r57 s LEU 69 CO 0.00 -0.62 -0.09 -0.54 0.23 0.00 0.00 176.35 175.33 1r57 s LYS 70 N -2.06 2.83 -0.22 1.70 -0.14 0.87 -4.34 119.74 118.39 1r57 s LYS 70 Ca 0.53 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 54.42 1r57 s LYS 70 Cb -0.35 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.19 1r57 s LYS 70 CO 0.45 0.57 0.25 0.42 -0.76 0.00 0.00 175.35 176.28 1r57 s ILE 71 N -0.56 5.30 -0.35 2.17 1.01 0.97 -0.22 121.20 129.53 1r57 s ILE 71 Ca 0.08 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.15 1r57 s ILE 71 Cb -0.12 -3.58 0.10 0.00 0.01 0.00 0.00 42.46 38.87 1r57 s ILE 71 CO 0.02 0.32 0.07 0.27 0.00 0.00 0.00 174.94 175.62 1r57 s ILE 72 N 1.08 2.13 0.01 2.92 -4.36 0.21 -3.16 121.20 120.02 1r57 s ILE 72 Ca 0.12 -2.32 -0.22 0.00 -0.26 0.00 0.00 60.65 57.98 1r57 s ILE 72 Cb -0.14 -2.57 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 1r57 s ILE 72 CO 0.05 -0.63 0.64 0.00 0.24 0.00 0.00 174.94 175.24 1r57 s ALA 73 N 0.88 3.46 -0.67 2.27 0.00 -1.26 -2.06 121.76 124.38 1r57 s ALA 73 Ca 0.11 0.10 0.18 0.00 0.00 0.00 0.00 51.96 52.35 1r57 s ALA 73 Cb -0.19 -2.80 -0.21 0.00 0.00 0.00 0.00 23.12 19.91 1r57 s ALA 73 CO -0.09 0.16 0.68 0.43 0.00 0.00 0.00 175.76 176.94 1r57 n SER 74 N 2.67 0.83 -4.58 0.00 7.64 0.11 -4.87 113.62 115.42 1r57 n SER 74 Ca -0.06 -0.72 -0.42 0.00 1.01 0.00 0.00 58.87 58.68 1r57 n SER 74 Cb 0.51 1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 64.86 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 11.92 0.56 -0.15 0.00 4.64 -1.92 0.13 113.55 128.74 1r57 h SER 76 Ca -0.28 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1r57 h SER 76 Cb 1.12 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1r57 h SER 76 CO 1.13 0.39 -0.00 0.15 -0.87 0.00 0.00 176.83 177.63 1r57 h PHE 77 N 0.66 0.29 0.18 4.77 3.57 -1.93 -2.38 116.94 122.10 1r57 h PHE 77 Ca 0.22 -0.05 -0.30 0.00 3.53 0.00 0.00 57.97 61.36 1r57 h PHE 77 Cb 0.05 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 38.74 1r57 h PHE 77 CO -0.00 0.50 -1.34 0.00 -2.23 0.00 0.00 178.31 175.23 1r57 h ALA 78 N 0.76 0.00 -0.18 2.41 0.00 -1.80 -3.24 119.26 117.22 1r57 h ALA 78 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 1r57 h ALA 78 Cb 0.38 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1r57 h ALA 78 CO 0.01 0.87 -0.00 -0.22 0.00 0.00 0.00 179.25 179.91 1r57 h LYS 79 N 0.10 0.25 0.00 0.00 3.64 -0.80 -1.26 116.57 118.51 1r57 h LYS 79 Ca -0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1r57 h LYS 79 Cb 2.05 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1r57 h LYS 79 CO 0.23 0.28 0.00 1.25 -2.27 0.00 0.00 179.45 178.94 1r57 h HIS 80 N 0.25 0.00 -0.06 1.91 2.76 -1.45 -0.41 115.15 118.15 1r57 h HIS 80 Ca 0.06 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.98 1r57 h HIS 80 Cb 0.18 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.16 1r57 h HIS 80 CO 0.00 0.00 -0.94 0.52 -1.30 0.00 0.00 177.93 176.21 1r57 h MET 81 N 0.00 0.73 -0.40 5.26 2.86 -1.33 -3.11 114.93 118.93 1r57 h MET 81 Ca 0.00 -0.70 -0.09 0.00 -2.06 0.00 0.00 59.70 56.84 1r57 h MET 81 Cb 0.38 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1r57 h MET 81 CO 0.00 1.29 -0.12 -0.07 1.06 0.00 0.00 176.91 179.07 1r57 h LEU 82 N 0.45 0.71 -1.31 1.22 3.38 -1.08 0.10 115.31 118.78 1r57 h LEU 82 Ca -0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1r57 h LEU 82 Cb 1.58 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 1r57 h LEU 82 CO 0.19 0.86 0.40 -0.33 0.09 0.00 0.00 178.44 179.64 1r57 h GLU 83 N 0.65 0.86 0.00 1.13 4.39 -1.18 -3.34 114.58 117.10 1r57 h GLU 83 Ca 0.11 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1r57 h GLU 83 Cb 0.59 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1r57 h GLU 83 CO 0.04 0.60 -0.94 1.63 -1.16 0.00 0.00 179.01 179.18 1r57 n LYS 84 N -4.41 0.50 -2.49 2.33 5.02 -1.03 -4.83 118.16 113.26 1r57 n LYS 84 Ca 0.06 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.37 1r57 n LYS 84 Cb 0.06 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 1r57 n LYS 84 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1r57 s GLU 85 N -2.43 3.53 0.53 1.97 2.12 -0.01 -4.86 118.70 119.54 1r57 s GLU 85 Ca -0.23 0.54 0.18 0.00 0.36 0.00 0.00 54.97 55.83 1r57 s GLU 85 Cb 0.04 -4.02 1.33 0.00 0.26 0.00 0.00 34.13 31.75 1r57 s GLU 85 CO 0.36 -1.64 2.14 0.22 -0.54 0.00 0.00 175.26 175.80 1r57 h ASP 86 N 10.11 0.00 -0.05 -1.70 3.58 -1.87 -1.30 116.42 125.18 1r57 h ASP 86 Ca -0.25 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.21 1r57 h ASP 86 Cb 1.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 1r57 h ASP 86 CO 1.15 0.00 0.07 0.28 -2.88 0.00 0.00 179.24 177.86 1r57 h SER 87 N 0.00 0.00 1.24 2.28 0.02 -1.92 -0.93 113.55 114.23 1r57 h SER 87 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1r57 h SER 87 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1r57 h SER 87 CO -0.00 0.00 -0.11 -1.22 -1.14 0.00 0.00 176.83 174.36 1r57 n TYR 88 N -3.57 0.63 1.98 3.45 4.01 -0.49 -3.32 117.16 119.84 1r57 n TYR 88 Ca -0.02 0.18 0.01 0.00 -0.16 0.00 0.00 57.90 57.92 1r57 n TYR 88 Cb 0.16 -0.77 0.08 0.00 -0.31 0.00 0.00 39.34 38.50 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 -2.03 1.02 -0.15 -0.72 6.02 -0.36 -2.06 117.38 119.10 1r57 n GLN 89 Ca 0.06 -0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1r57 n GLN 89 Cb 0.41 -1.05 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 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 0.05 0.80 0.00 1.08 1.82 -1.73 -3.33 116.42 115.11 1r57 h ASP 90 Ca 0.00 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.28 1r57 h ASP 90 Cb 0.01 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.80 1r57 h ASP 90 CO 0.00 0.96 -1.59 1.33 -1.61 0.00 0.00 179.24 178.33 1r57 n VAL 91 N -4.33 0.04 -2.59 2.25 0.24 -1.15 -4.97 118.33 107.81 1r57 n VAL 91 Ca -0.01 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.58 1r57 n VAL 91 Cb 0.35 0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.86 3.68 -1.04 6.34 5.04 -0.87 -0.02 117.35 127.62 1r57 s TYR 92 Ca -0.05 1.68 -0.23 0.00 -2.44 0.00 0.00 57.07 56.04 1r57 s TYR 92 Cb 0.08 -3.19 0.04 0.00 0.35 0.00 0.00 41.96 39.23 1r57 s TYR 92 CO 0.53 -0.31 1.56 -0.51 -1.34 0.00 0.00 175.55 175.49 1r57 s LEU 93 N -0.38 3.49 0.71 6.97 1.43 -1.19 -4.70 118.68 125.02 1r57 s LEU 93 Ca 0.48 -1.48 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 1r57 s LEU 93 Cb -0.28 -2.57 0.03 0.00 0.03 0.00 0.00 46.19 43.40 1r57 s LEU 93 CO 0.34 -1.66 1.10 -0.83 0.23 0.00 0.00 176.35 175.52 1r57 s GLY 94 N 5.32 1.92 -0.02 -3.19 0.00 -1.26 -5.04 107.32 105.04 1r57 s GLY 94 Ca 0.51 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.61 1r57 s GLY 94 CO -0.06 0.75 0.15 1.08 0.00 0.00 0.00 173.10 175.02 1r57 s LEU 95 N -5.38 4.23 0.24 0.66 1.02 -1.26 -5.11 118.68 113.08 1r57 s LEU 95 Ca 0.64 0.30 0.09 0.00 0.02 0.00 0.00 54.13 55.18 1r57 s LEU 95 Cb -0.19 -2.48 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 1r57 s LEU 95 CO 0.49 0.28 -0.02 -1.61 0.02 0.00 0.00 176.35 175.50 1r57 s GLU 96 N -1.82 2.28 0.70 1.70 2.02 -1.26 -5.11 118.70 117.21 1r57 s GLU 96 Ca 0.25 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.74 1r57 s GLU 96 Cb -0.12 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1r57 s GLU 96 CO 0.16 0.39 1.18 -3.38 0.02 0.00 0.00 175.26 173.63 1r57 s HIS 97 N -2.13 2.23 0.10 1.61 -3.43 -1.26 -5.02 115.29 107.39 1r57 s HIS 97 Ca 0.30 1.58 -0.11 0.00 -0.80 0.00 0.00 55.06 56.03 1r57 s HIS 97 Cb -0.07 -3.39 -0.06 0.00 -1.43 0.00 0.00 32.58 27.62 1r57 s HIS 97 CO 0.19 -2.33 0.44 -1.01 -2.00 0.00 0.00 174.74 170.03 1r57 s HIS 98 N -2.04 3.58 -0.22 0.38 0.09 -1.26 -5.01 115.29 110.81 1r57 s HIS 98 Ca 0.73 0.84 -0.09 0.00 -0.00 0.00 0.00 55.06 56.54 1r57 s HIS 98 Cb -0.27 -2.20 -0.10 0.00 -0.00 0.00 0.00 32.58 30.01 1r57 s HIS 98 CO 0.43 0.48 -0.26 1.58 -0.00 0.00 0.00 174.74 176.97 1r57 n HIS 99 N 0.80 0.00 -3.57 1.40 -0.00 -1.26 -4.84 115.22 107.75 1r57 n HIS 99 Ca -0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.25 1r57 n HIS 99 Cb 0.52 -0.78 -0.08 0.00 -0.00 0.00 0.00 29.99 29.65 1r57 n HIS 99 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1r57 s HIS 100 N -2.40 3.48 -1.14 1.57 5.65 -1.26 -5.01 115.29 116.18 1r57 s HIS 100 Ca -0.30 -2.13 -0.16 0.00 0.25 0.00 0.00 55.06 52.72 1r57 s HIS 100 Cb 0.11 -3.46 0.13 0.00 -1.18 0.00 0.00 32.58 28.18 1r57 s HIS 100 CO 0.40 -0.96 1.41 -3.38 -0.65 0.00 0.00 174.74 171.57 1r57 s HIS 101 N 0.82 3.21 0.00 3.88 -3.43 -1.26 -5.30 115.29 113.20 1r57 s HIS 101 Ca 0.10 -1.77 0.00 0.00 -0.80 0.00 0.00 55.06 52.60 1r57 s HIS 101 Cb -0.22 -4.41 0.00 0.00 -1.43 0.00 0.00 32.58 26.51 1r57 s HIS 101 CO -0.03 -1.53 0.00 1.58 -2.00 0.00 0.00 174.74 172.76