#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 -3.57 3.17 3.41 -1.26 -5.03 113.62 110.34 1r57 n SER 2 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1r57 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1r57 n SER 2 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1r57 s ASN 3 N -3.04 -0.65 -1.19 4.04 3.04 -1.26 -5.08 114.94 110.80 1r57 s ASN 3 Ca 0.00 0.87 -0.20 0.00 0.04 0.00 0.00 52.86 53.57 1r57 s ASN 3 Cb 0.00 0.77 0.05 0.00 -1.54 0.00 0.00 41.25 40.53 1r57 s ASN 3 CO 0.00 -0.50 1.68 -0.76 -3.04 0.00 0.00 177.10 174.49 1r57 s LEU 4 N -0.76 3.64 -0.05 3.21 1.02 -1.26 -4.85 118.68 119.63 1r57 s LEU 4 Ca -0.08 -2.01 0.04 0.00 0.02 0.00 0.00 54.13 52.09 1r57 s LEU 4 Cb -0.02 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.59 1r57 s LEU 4 CO 0.07 -1.50 -0.15 -1.61 0.02 0.00 0.00 176.35 173.18 1r57 s GLU 5 N 4.76 2.51 -0.82 1.70 0.41 -1.26 -5.07 118.70 120.93 1r57 s GLU 5 Ca 0.54 -0.71 -0.26 0.00 -0.41 0.00 0.00 54.97 54.12 1r57 s GLU 5 Cb 0.02 -2.36 0.03 0.00 -1.78 0.00 0.00 34.13 30.04 1r57 s GLU 5 CO 0.03 0.60 1.34 0.42 -0.49 0.00 0.00 175.26 177.16 1r57 s ILE 6 N -0.68 3.77 -0.07 -1.63 1.01 -1.26 -4.58 121.20 117.76 1r57 s ILE 6 Ca 0.10 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 1r57 s ILE 6 Cb -0.11 -4.94 -0.04 0.00 0.01 0.00 0.00 42.46 37.38 1r57 s ILE 6 CO 0.01 -1.87 0.69 -0.54 0.00 0.00 0.00 174.94 173.23 1r57 s LYS 7 N 5.55 4.43 -0.17 2.79 -0.14 -0.94 -4.96 119.74 126.30 1r57 s LYS 7 Ca 0.39 0.86 -0.06 0.00 -1.36 0.00 0.00 55.97 55.79 1r57 s LYS 7 Cb -0.06 -3.44 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1r57 s LYS 7 CO 0.08 0.08 0.03 1.14 -0.76 0.00 0.00 175.35 175.92 1r57 s GLN 8 N 0.75 3.86 0.00 1.68 -2.07 -1.26 -0.19 119.66 122.44 1r57 s GLN 8 Ca 0.37 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.51 1r57 s GLN 8 Cb -0.18 -3.11 0.00 0.00 -1.09 0.00 0.00 33.01 28.63 1r57 s GLN 8 CO 0.18 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.84 1r57 n GLY 9 N 3.49 4.44 3.55 2.60 0.00 0.11 -4.93 105.19 114.44 1r57 n GLY 9 Ca -0.17 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1r57 n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1r57 n GLU 10 N 0.00 0.31 -4.07 1.61 0.00 -1.26 -2.80 120.64 114.43 1r57 n GLU 10 Ca 0.00 -1.20 -0.27 0.00 0.00 0.00 0.00 57.16 55.68 1r57 n GLU 10 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 31.44 27.74 1r57 n GLU 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1r57 n ASN 11 N 18.58 -0.09 -3.76 4.31 3.02 -1.26 -4.87 115.26 131.19 1r57 n ASN 11 Ca 0.43 -1.08 -0.10 0.00 -0.03 0.00 0.00 54.58 53.80 1r57 n ASN 11 Cb 0.44 -2.63 -0.05 0.00 -0.61 0.00 0.00 39.78 36.94 1r57 n ASN 11 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1r57 s LYS 12 N -6.80 1.27 -0.06 3.52 -2.85 -1.12 -2.85 119.74 110.84 1r57 s LYS 12 Ca 0.04 -0.89 0.05 0.00 -1.00 0.00 0.00 55.97 54.17 1r57 s LYS 12 Cb -0.02 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1r57 s LYS 12 CO 0.92 -0.52 -0.24 -0.06 0.10 0.00 0.00 175.35 175.56 1r57 s PHE 13 N -3.88 2.35 -0.13 1.78 0.08 -0.31 0.07 117.98 117.94 1r57 s PHE 13 Ca 0.09 -0.75 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 1r57 s PHE 13 Cb 0.00 -1.55 0.03 0.00 -0.57 0.00 0.00 43.02 40.94 1r57 s PHE 13 CO -0.04 -0.25 0.34 1.52 -0.10 0.00 0.00 175.22 176.69 1r57 s TYR 14 N -0.02 -0.37 -0.11 0.36 1.13 0.74 -0.31 117.35 118.76 1r57 s TYR 14 Ca -0.07 0.91 0.02 0.00 -1.41 0.00 0.00 57.07 56.51 1r57 s TYR 14 Cb -0.14 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1r57 s TYR 14 CO 0.05 -0.18 -0.15 0.42 -2.51 0.00 0.00 175.55 173.17 1r57 s ILE 15 N 0.16 1.51 -0.03 -3.49 1.01 0.12 -2.21 121.20 118.27 1r57 s ILE 15 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1r57 s ILE 15 Cb -0.02 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 41.14 1r57 s ILE 15 CO 0.01 0.44 1.16 0.61 0.00 0.00 0.00 174.94 177.16 1r57 n GLY 16 N 4.26 0.24 0.12 6.18 0.00 -1.26 -0.96 105.19 113.77 1r57 n GLY 16 Ca -0.19 -1.02 0.01 0.00 0.00 0.00 0.00 46.02 44.82 1r57 n GLY 16 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1r57 h ASP 17 N 1.78 0.00 -5.18 1.61 3.58 -1.89 -3.46 116.42 112.86 1r57 h ASP 17 Ca -0.19 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 1r57 h ASP 17 Cb 1.05 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.01 1r57 h ASP 17 CO 0.27 0.60 -0.05 -0.62 -2.88 0.00 0.00 179.24 176.56 1r57 s ASP 18 N -6.49 -0.14 0.23 2.28 2.15 -1.24 -4.93 116.67 108.53 1r57 s ASP 18 Ca 0.03 -0.82 -0.07 0.00 0.43 0.00 0.00 52.55 52.13 1r57 s ASP 18 Cb 0.08 0.60 0.21 0.00 -0.30 0.00 0.00 42.92 43.51 1r57 s ASP 18 CO 0.76 -1.15 1.82 -0.08 -0.17 0.00 0.00 175.17 176.34 1r57 h GLU 19 N 2.22 1.18 0.03 4.34 4.57 -2.00 -2.03 114.58 122.89 1r57 h GLU 19 Ca -0.25 -0.19 -0.22 0.00 -1.18 0.00 0.00 59.36 57.52 1r57 h GLU 19 Cb 1.25 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1r57 h GLU 19 CO 0.34 0.93 -0.97 -0.97 -1.18 0.00 0.00 179.01 177.16 1r57 h ASN 20 N 1.17 0.37 -0.64 1.04 -1.24 -2.01 -3.22 115.58 111.04 1r57 h ASN 20 Ca 0.28 -0.32 -0.43 0.00 0.71 0.00 0.00 56.30 56.53 1r57 h ASN 20 Cb 0.15 -0.11 -0.19 0.00 0.73 0.00 0.00 38.32 38.90 1r57 h ASN 20 CO -0.03 1.15 0.56 0.59 -1.29 0.00 0.00 177.43 178.41 1r57 n ASN 21 N -3.65 6.74 -4.61 1.15 4.13 -0.98 -4.92 115.26 113.12 1r57 n ASN 21 Ca -0.05 -3.29 -0.43 0.00 1.68 0.00 0.00 54.58 52.49 1r57 n ASN 21 Cb 0.86 -1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 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 -2.45 3.06 0.02 5.41 0.00 -0.80 -2.57 121.76 124.44 1r57 s ALA 22 Ca 0.42 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1r57 s ALA 22 Cb 0.33 -3.94 -0.24 0.00 0.00 0.00 0.00 23.12 19.27 1r57 s ALA 22 CO -0.00 -2.31 0.93 -0.07 0.00 0.00 0.00 175.76 174.30 1r57 h LEU 23 N 12.66 0.12 -6.94 0.00 3.38 -1.44 -3.43 115.31 119.66 1r57 h LEU 23 Ca -0.33 -0.18 -0.49 0.00 0.09 0.00 0.00 57.88 56.96 1r57 h LEU 23 Cb 1.16 -0.04 -0.41 0.00 0.09 0.00 0.00 40.66 41.46 1r57 h LEU 23 CO 1.02 1.15 -0.76 0.00 0.09 0.00 0.00 178.44 179.94 1r57 s ALA 24 N -2.64 0.54 0.10 1.53 0.00 -0.14 0.11 121.76 121.25 1r57 s ALA 24 Ca -0.04 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1r57 s ALA 24 Cb 0.08 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1r57 s ALA 24 CO 0.83 -1.39 -0.23 -2.00 0.00 0.00 0.00 175.76 172.97 1r57 s GLU 25 N 2.11 1.30 -0.19 0.00 -6.30 0.02 0.13 118.70 115.77 1r57 s GLU 25 Ca 0.05 -1.18 -0.05 0.00 -2.50 0.00 0.00 54.97 51.29 1r57 s GLU 25 Cb -0.16 -1.60 0.09 0.00 0.00 0.00 0.00 34.13 32.46 1r57 s GLU 25 CO -0.22 0.38 0.36 -1.50 0.02 0.00 0.00 175.26 174.31 1r57 s ILE 26 N -1.05 -0.57 -0.09 -3.70 2.07 0.57 -0.67 121.20 117.77 1r57 s ILE 26 Ca 0.09 0.14 -0.02 0.00 -1.41 0.00 0.00 60.65 59.45 1r57 s ILE 26 Cb -0.10 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 1r57 s ILE 26 CO 0.04 0.04 -0.00 0.42 -1.91 0.00 0.00 174.94 173.53 1r57 s THR 27 N 2.54 4.29 0.22 4.00 -4.23 0.16 -1.17 115.64 121.46 1r57 s THR 27 Ca 0.02 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.32 1r57 s THR 27 Cb -0.13 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 1r57 s THR 27 CO -0.12 0.60 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.83 1r57 s TYR 28 N -0.84 1.54 0.03 3.99 -0.85 -1.13 -0.84 117.35 119.24 1r57 s TYR 28 Ca 0.13 -0.91 -0.04 0.00 -0.52 0.00 0.00 57.07 55.73 1r57 s TYR 28 Cb -0.11 -0.88 -0.01 0.00 0.38 0.00 0.00 41.96 41.33 1r57 s TYR 28 CO 0.02 -0.03 0.06 0.50 -1.52 0.00 0.00 175.55 174.58 1r57 s ARG 29 N -3.85 0.51 -0.65 -3.49 6.06 0.22 -4.74 118.95 113.01 1r57 s ARG 29 Ca 0.27 -0.71 -0.22 0.00 -2.50 0.00 0.00 55.73 52.57 1r57 s ARG 29 Cb 0.05 0.19 0.07 0.00 0.06 0.00 0.00 34.95 35.33 1r57 s ARG 29 CO 0.08 -0.11 0.94 -0.06 -2.50 0.00 0.00 175.30 173.65 1r57 s PHE 30 N -2.27 2.70 0.02 5.12 0.40 -1.26 -0.17 117.98 122.52 1r57 s PHE 30 Ca -0.08 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.53 1r57 s PHE 30 Cb -0.03 -4.25 -0.30 0.00 0.51 0.00 0.00 43.02 38.94 1r57 s PHE 30 CO -0.03 -1.61 1.03 -0.39 0.70 0.00 0.00 175.22 174.92 1r57 h VAL 31 N 5.97 1.36 0.00 -0.44 -1.51 -1.81 -3.46 116.25 116.36 1r57 h VAL 31 Ca -0.29 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 1r57 h VAL 31 Cb 1.07 2.88 0.00 0.00 -2.13 0.00 0.00 31.29 33.11 1r57 h VAL 31 CO 1.17 0.73 0.00 -0.67 -1.23 0.00 0.00 177.57 177.57 1r57 n ASP 32 N -3.92 0.00 0.03 4.19 -0.08 -1.25 -5.07 116.55 110.44 1r57 n ASP 32 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1r57 n ASP 32 Cb 0.93 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.39 1r57 n ASP 32 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1r57 n ASN 33 N -0.15 0.35 -0.15 1.67 3.02 -1.26 -4.90 115.26 113.85 1r57 n ASN 33 Ca 0.00 0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.67 1r57 n ASN 33 Cb 0.00 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1r57 n ASN 33 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r57 n ASN 34 N -2.91 0.94 -4.63 6.41 3.02 -1.26 -4.96 115.26 111.88 1r57 n ASN 34 Ca 0.00 -0.97 -0.43 0.00 -0.03 0.00 0.00 54.58 53.15 1r57 n ASN 34 Cb 0.00 0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 -1.20 3.90 -0.23 3.52 8.01 -1.26 -0.50 118.70 130.95 1r57 s GLU 35 Ca 0.06 1.14 -0.08 0.00 0.01 0.00 0.00 54.97 56.09 1r57 s GLU 35 Cb 0.06 -3.87 -0.04 0.00 -4.31 0.00 0.00 34.13 25.98 1r57 s GLU 35 CO 0.20 -1.13 0.09 0.96 0.01 0.00 0.00 175.26 175.39 1r57 s ILE 36 N 4.32 4.68 -0.29 -1.63 -4.36 0.92 -2.12 121.20 122.73 1r57 s ILE 36 Ca 0.54 -0.05 -0.10 0.00 -0.26 0.00 0.00 60.65 60.78 1r57 s ILE 36 Cb -0.15 -3.17 -0.03 0.00 1.25 0.00 0.00 42.46 40.36 1r57 s ILE 36 CO 0.23 0.36 0.16 0.21 0.24 0.00 0.00 174.94 176.14 1r57 s ASN 37 N 1.22 5.69 -0.40 4.36 2.47 0.76 -0.80 114.94 128.25 1r57 s ASN 37 Ca 0.05 -0.25 -0.29 0.00 0.42 0.00 0.00 52.86 52.79 1r57 s ASN 37 Cb -0.14 -2.05 0.01 0.00 -1.45 0.00 0.00 41.25 37.62 1r57 s ASN 37 CO 0.04 -0.11 1.40 -0.63 -3.72 0.00 0.00 177.10 174.08 1r57 s ILE 38 N 1.68 3.93 -0.12 -5.21 1.09 0.60 -0.61 121.20 122.56 1r57 s ILE 38 Ca 0.06 0.96 -0.06 0.00 -1.10 0.00 0.00 60.65 60.51 1r57 s ILE 38 Cb -0.16 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.03 1r57 s ILE 38 CO 0.08 -0.72 -0.12 -0.78 -0.10 0.00 0.00 174.94 173.30 1r57 h ASP 39 N 10.54 0.00 -4.21 3.58 3.58 -1.33 0.79 116.42 129.38 1r57 h ASP 39 Ca -0.27 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.59 1r57 h ASP 39 Cb 1.11 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.92 1r57 h ASP 39 CO 1.08 0.65 -0.84 -2.28 -2.88 0.00 0.00 179.24 174.96 1r57 s HIS 40 N -1.99 1.89 -0.43 0.28 2.46 -1.23 -3.68 115.29 112.59 1r57 s HIS 40 Ca -0.10 -0.39 0.02 0.00 0.47 0.00 0.00 55.06 55.06 1r57 s HIS 40 Cb 0.01 -1.08 0.14 0.00 -0.13 0.00 0.00 32.58 31.53 1r57 s HIS 40 CO 0.15 0.16 0.26 0.99 -2.47 0.00 0.00 174.74 173.83 1r57 s THR 41 N -0.97 1.11 -1.59 0.89 2.01 -1.26 -0.66 115.64 115.16 1r57 s THR 41 Ca 0.08 -2.49 -0.10 0.00 0.31 0.00 0.00 61.69 59.48 1r57 s THR 41 Cb -0.09 -1.77 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 1r57 s THR 41 CO 0.03 -0.96 2.86 0.61 -0.69 0.00 0.00 174.62 176.47 1r57 n GLY 42 N 3.47 4.25 3.63 4.40 0.00 0.16 -4.84 105.19 116.26 1r57 n GLY 42 Ca 0.12 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 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 2.32 5.25 0.27 1.61 1.01 -1.24 -0.80 120.40 128.83 1r57 s VAL 43 Ca 0.67 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1r57 s VAL 43 Cb 0.17 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 1r57 s VAL 43 CO -0.06 0.24 1.42 -0.55 0.00 0.00 0.00 175.10 176.15 1r57 s SER 44 N 1.35 6.66 0.00 3.32 0.15 0.12 -4.89 113.70 120.40 1r57 s SER 44 Ca 0.13 2.70 0.16 0.00 0.70 0.00 0.00 55.95 59.64 1r57 s SER 44 Cb -0.15 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.47 1r57 s SER 44 CO 0.08 -0.68 0.80 -0.90 1.20 0.00 0.00 173.24 173.74 1r57 n ASP 45 N 1.90 1.34 -0.00 5.45 5.75 -1.26 -4.21 116.55 125.51 1r57 n ASP 45 Ca 0.05 -1.17 0.12 0.00 -0.01 0.00 0.00 54.79 53.78 1r57 n ASP 45 Cb 0.40 0.65 0.23 0.00 -1.03 0.00 0.00 41.12 41.37 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 -0.54 0.01 0.39 0.11 1.02 -1.26 -4.16 120.64 116.21 1r57 n GLU 46 Ca 0.05 -0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1r57 n GLU 46 Cb 0.31 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 1r57 n GLU 46 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r57 h LEU 47 N 0.01 -0.85 0.00 -4.62 5.85 -1.97 -3.48 115.31 110.24 1r57 h LEU 47 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1r57 h LEU 47 Cb 0.50 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1r57 h LEU 47 CO 0.00 -0.55 0.00 0.61 -0.34 0.00 0.00 178.44 178.16 1r57 n GLY 48 N -1.11 4.00 3.57 3.75 0.00 -1.26 -5.09 105.19 109.05 1r57 n GLY 48 Ca -0.12 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1r57 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r57 s GLY 49 N 0.00 1.91 0.00 -0.02 0.00 -1.26 -4.95 107.32 103.00 1r57 s GLY 49 Ca 0.00 -1.07 0.21 0.00 0.00 0.00 0.00 44.72 43.86 1r57 s GLY 49 CO 0.00 0.60 1.48 -1.06 0.00 0.00 0.00 173.10 174.12 1r57 n GLN 50 N 4.94 1.97 0.12 2.90 3.00 -1.26 -4.11 117.38 124.94 1r57 n GLN 50 Ca -0.15 -1.46 0.15 0.00 -0.01 0.00 0.00 57.00 55.53 1r57 n GLN 50 Cb 0.52 -1.42 0.66 0.00 0.00 0.00 0.00 30.24 30.00 1r57 n GLN 50 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1r57 h GLY 51 N 4.89 0.01 1.98 1.08 0.00 -1.99 -0.35 103.07 108.69 1r57 h GLY 51 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r57 h GLY 51 CO 0.00 0.00 0.01 -0.39 0.00 0.00 0.00 176.54 176.16 1r57 h VAL 52 N 0.01 0.74 -0.36 4.60 -1.51 -2.00 -1.29 116.25 116.44 1r57 h VAL 52 Ca 0.14 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.57 1r57 h VAL 52 Cb 0.55 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1r57 h VAL 52 CO -0.00 0.00 0.08 1.23 -1.23 0.00 0.00 177.57 177.65 1r57 h GLY 53 N 0.00 0.62 2.00 5.19 0.00 -1.37 -2.28 103.07 107.23 1r57 h GLY 53 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1r57 h GLY 53 CO -0.00 0.37 -0.27 1.70 0.00 0.00 0.00 176.54 178.33 1r57 h LYS 54 N 0.43 0.00 0.37 4.80 3.64 -1.51 -1.24 116.57 123.06 1r57 h LYS 54 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1r57 h LYS 54 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1r57 h LYS 54 CO 0.00 0.27 -0.18 0.87 -2.27 0.00 0.00 179.45 178.15 1r57 h LYS 55 N 0.00 -0.48 -0.41 1.90 1.79 -1.00 0.15 116.57 118.52 1r57 h LYS 55 Ca -0.00 0.03 -0.15 0.00 -2.18 0.00 0.00 60.65 58.35 1r57 h LYS 55 Cb 1.16 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1r57 h LYS 55 CO 0.04 -0.31 -0.32 -0.07 -1.08 0.00 0.00 179.45 177.70 1r57 h LEU 56 N -0.51 0.97 -0.75 2.94 3.38 -1.43 -2.85 115.31 117.06 1r57 h LEU 56 Ca -0.05 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1r57 h LEU 56 Cb 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1r57 h LEU 56 CO 0.08 1.20 0.48 0.25 0.09 0.00 0.00 178.44 180.54 1r57 h LEU 57 N 0.78 0.88 -0.67 1.67 5.85 -1.09 -0.93 115.31 121.80 1r57 h LEU 57 Ca 0.08 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1r57 h LEU 57 Cb 0.90 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1r57 h LEU 57 CO 0.08 0.66 0.19 0.50 -0.34 0.00 0.00 178.44 179.53 1r57 h LYS 58 N 1.02 1.05 -0.93 1.25 3.64 -0.67 -0.91 116.57 121.03 1r57 h LYS 58 Ca 0.27 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1r57 h LYS 58 Cb -0.08 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 1r57 h LYS 58 CO -0.06 0.93 0.56 0.00 -2.27 0.00 0.00 179.45 178.62 1r57 h ALA 59 N 1.08 1.24 0.15 5.00 0.00 -1.12 0.28 119.26 125.89 1r57 h ALA 59 Ca 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1r57 h ALA 59 Cb 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1r57 h ALA 59 CO -0.00 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.11 1r57 h VAL 60 N 1.28 0.99 -0.36 0.00 2.07 -0.86 -1.69 116.25 117.68 1r57 h VAL 60 Ca 0.33 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.22 1r57 h VAL 60 Cb -0.06 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1r57 h VAL 60 CO -0.06 0.15 0.19 0.58 0.02 0.00 0.00 177.57 178.45 1r57 h VAL 61 N -0.51 1.00 -0.20 2.57 2.07 -0.90 0.20 116.25 120.49 1r57 h VAL 61 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1r57 h VAL 61 Cb 0.40 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1r57 h VAL 61 CO 0.03 0.07 0.13 -0.08 0.02 0.00 0.00 177.57 177.74 1r57 h GLU 62 N 0.39 0.26 -0.07 1.57 4.81 -0.47 -0.43 114.58 120.65 1r57 h GLU 62 Ca 0.15 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1r57 h GLU 62 Cb 0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1r57 h GLU 62 CO -0.09 0.18 -0.46 1.25 -0.73 0.00 0.00 179.01 179.15 1r57 h HIS 63 N 0.26 0.19 -0.52 0.92 2.76 -1.05 -2.58 115.15 115.14 1r57 h HIS 63 Ca 0.07 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1r57 h HIS 63 Cb -0.03 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1r57 h HIS 63 CO -0.06 0.60 0.07 0.00 -1.30 0.00 0.00 177.93 177.24 1r57 h ALA 64 N 1.39 0.69 -0.29 5.26 0.00 -0.12 -2.64 119.26 123.56 1r57 h ALA 64 Ca 0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1r57 h ALA 64 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1r57 h ALA 64 CO 0.07 0.44 0.05 -0.09 0.00 0.00 0.00 179.25 179.72 1r57 h ARG 65 N 0.74 0.42 -0.04 0.00 9.65 -0.79 0.27 114.38 124.64 1r57 h ARG 65 Ca 0.15 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1r57 h ARG 65 Cb 0.42 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1r57 h ARG 65 CO 0.01 0.41 0.03 0.93 2.80 0.00 0.00 179.97 184.15 1r57 h GLU 66 N 0.42 0.05 -0.71 0.20 5.08 -1.11 -3.12 114.58 115.39 1r57 h GLU 66 Ca 0.10 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1r57 h GLU 66 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1r57 h GLU 66 CO -0.00 0.05 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1r57 n ASN 67 N -5.05 4.21 -3.28 1.42 3.02 -0.99 -4.92 115.26 109.66 1r57 n ASN 67 Ca -0.06 -2.16 -0.23 0.00 -0.03 0.00 0.00 54.58 52.09 1r57 n ASN 67 Cb 0.04 -0.52 0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1r57 n ASN 67 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1r57 n ASN 68 N 1.45 -6.25 -4.84 6.41 5.15 0.02 -4.97 115.26 112.23 1r57 n ASN 68 Ca 0.25 -0.40 -0.32 0.00 -0.60 0.00 0.00 54.58 53.50 1r57 n ASN 68 Cb 0.72 -4.99 -0.06 0.00 -0.53 0.00 0.00 39.78 34.92 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 -6.97 3.98 -0.22 1.20 1.43 0.76 -4.93 118.68 113.92 1r57 s LEU 69 Ca 0.43 1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 54.84 1r57 s LEU 69 Cb -0.19 -4.21 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1r57 s LEU 69 CO 0.54 -0.29 0.05 -0.54 0.23 0.00 0.00 176.35 176.34 1r57 s LYS 70 N -3.20 3.73 -0.25 1.70 3.01 0.35 -4.65 119.74 120.43 1r57 s LYS 70 Ca 0.56 -0.45 -0.18 0.00 -1.01 0.00 0.00 55.97 54.89 1r57 s LYS 70 Cb -0.10 -3.24 -0.03 0.00 -1.01 0.00 0.00 37.83 33.45 1r57 s LYS 70 CO 0.19 -0.02 0.50 0.42 0.51 0.00 0.00 175.35 176.95 1r57 s ILE 71 N 1.14 5.09 0.13 2.17 1.01 0.65 -0.06 121.20 131.34 1r57 s ILE 71 Ca 0.04 0.86 0.06 0.00 0.00 0.00 0.00 60.65 61.62 1r57 s ILE 71 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1r57 s ILE 71 CO 0.03 0.11 -0.14 0.27 0.00 0.00 0.00 174.94 175.21 1r57 s ILE 72 N 2.15 1.41 -0.03 2.92 -4.36 0.02 -1.00 121.20 122.31 1r57 s ILE 72 Ca 0.21 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1r57 s ILE 72 Cb -0.16 -1.62 0.03 0.00 1.25 0.00 0.00 42.46 41.97 1r57 s ILE 72 CO 0.09 -0.43 0.05 0.00 0.24 0.00 0.00 174.94 174.89 1r57 s ALA 73 N -2.24 0.11 -0.13 2.27 0.00 -1.26 -0.29 121.76 120.22 1r57 s ALA 73 Ca 0.11 0.29 0.15 0.00 0.00 0.00 0.00 51.96 52.52 1r57 s ALA 73 Cb -0.04 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1r57 s ALA 73 CO 0.04 -0.25 1.19 0.77 0.00 0.00 0.00 175.76 177.51 1r57 h SER 74 N 7.69 0.00 -3.16 0.00 0.02 -1.14 -3.43 113.55 113.53 1r57 h SER 74 Ca -0.34 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.05 1r57 h SER 74 Cb 1.12 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1r57 h SER 74 CO 0.36 0.55 1.05 0.00 -1.14 0.00 0.00 176.83 177.65 1r57 h SER 76 N 10.47 0.00 0.30 0.00 0.02 -1.92 0.18 113.55 122.60 1r57 h SER 76 Ca -0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1r57 h SER 76 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1r57 h SER 76 CO 1.14 0.09 -0.15 0.15 -1.14 0.00 0.00 176.83 176.93 1r57 h PHE 77 N 0.00 -0.38 -0.13 3.45 3.57 -1.98 0.07 116.94 121.54 1r57 h PHE 77 Ca -0.00 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 1r57 h PHE 77 Cb 0.18 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1r57 h PHE 77 CO 0.00 -0.24 -0.67 0.00 -2.23 0.00 0.00 178.31 175.18 1r57 h ALA 78 N 0.29 0.59 -0.26 2.41 0.00 -1.85 -3.08 119.26 117.37 1r57 h ALA 78 Ca -0.04 -0.57 0.03 0.00 0.00 0.00 0.00 54.91 54.33 1r57 h ALA 78 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1r57 h ALA 78 CO 0.07 0.72 0.06 -0.22 0.00 0.00 0.00 179.25 179.88 1r57 h LYS 79 N 0.37 0.17 0.00 0.00 3.64 -0.51 -1.72 116.57 118.52 1r57 h LYS 79 Ca -0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1r57 h LYS 79 Cb 1.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1r57 h LYS 79 CO 0.12 0.11 -0.17 1.25 -2.27 0.00 0.00 179.45 178.49 1r57 h HIS 80 N 0.17 0.00 -0.22 1.91 2.76 -1.00 0.24 115.15 119.00 1r57 h HIS 80 Ca 0.12 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.10 1r57 h HIS 80 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1r57 h HIS 80 CO -0.15 0.17 -0.61 0.52 -1.30 0.00 0.00 177.93 176.56 1r57 h MET 81 N 0.00 0.76 -0.09 5.26 2.86 -1.34 -0.02 114.93 122.37 1r57 h MET 81 Ca -0.00 -0.52 -0.15 0.00 -2.06 0.00 0.00 59.70 56.97 1r57 h MET 81 Cb 0.75 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1r57 h MET 81 CO 0.02 1.14 -0.60 -0.07 1.06 0.00 0.00 176.91 178.47 1r57 h LEU 82 N 0.56 0.33 -0.56 1.22 3.38 -0.77 -2.98 115.31 116.51 1r57 h LEU 82 Ca -0.01 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1r57 h LEU 82 Cb 1.21 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1r57 h LEU 82 CO 0.13 0.85 -0.72 -0.08 0.09 0.00 0.00 178.44 178.71 1r57 h GLU 83 N 0.22 0.03 0.00 1.13 4.81 -0.39 -3.12 114.58 117.26 1r57 h GLU 83 Ca -0.01 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1r57 h GLU 83 Cb 1.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1r57 h GLU 83 CO 0.10 0.74 -0.83 -0.22 -0.73 0.00 0.00 179.01 178.06 1r57 h LYS 84 N 0.02 0.00 -5.40 1.92 1.63 -1.01 -3.42 116.57 110.31 1r57 h LYS 84 Ca -0.01 0.00 -0.65 0.00 -0.85 0.00 0.00 60.65 59.14 1r57 h LYS 84 Cb 1.27 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.75 1r57 h LYS 84 CO 0.10 0.77 0.28 -2.00 -3.45 0.00 0.00 179.45 175.15 1r57 s GLU 85 N -2.81 3.23 0.54 1.90 2.56 -1.13 -4.90 118.70 118.09 1r57 s GLU 85 Ca 0.02 -0.57 0.20 0.00 0.00 0.00 0.00 54.97 54.63 1r57 s GLU 85 Cb 0.09 -4.06 1.42 0.00 2.00 0.00 0.00 34.13 33.58 1r57 s GLU 85 CO 0.79 -1.32 2.17 -0.44 -0.56 0.00 0.00 175.26 175.90 1r57 h ASP 86 N 9.12 0.00 0.04 -1.70 5.19 -1.82 -2.21 116.42 125.05 1r57 h ASP 86 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1r57 h ASP 86 Cb 1.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1r57 h ASP 86 CO 1.01 0.02 0.00 -1.20 -3.12 0.00 0.00 179.24 175.95 1r57 n SER 87 N -4.29 0.00 -0.47 6.45 7.64 -1.26 -2.43 113.62 119.26 1r57 n SER 87 Ca -0.03 -0.69 0.08 0.00 1.01 0.00 0.00 58.87 59.25 1r57 n SER 87 Cb 0.10 -0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.03 0.00 0.82 1.43 4.01 -0.83 -4.61 117.16 116.95 1r57 n TYR 88 Ca 0.17 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.90 1r57 n TYR 88 Cb 0.09 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.20 1.14 -0.01 -0.72 6.02 -1.02 -0.81 117.38 122.19 1r57 n GLN 89 Ca 0.08 -0.25 0.05 0.00 -0.01 0.00 0.00 57.00 56.87 1r57 n GLN 89 Cb 0.38 -1.18 -0.10 0.00 1.02 0.00 0.00 30.24 30.36 1r57 n GLN 89 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1r57 n ASP 90 N 0.31 2.18 0.00 1.08 5.68 -1.26 -4.72 116.55 119.82 1r57 n ASP 90 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1r57 n ASP 90 Cb 0.55 1.48 0.00 0.00 -1.14 0.00 0.00 41.12 42.00 1r57 n ASP 90 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1r57 n VAL 91 N -1.98 0.00 -2.71 2.12 0.24 -1.03 -5.00 118.33 109.96 1r57 n VAL 91 Ca -0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 1r57 n VAL 91 Cb 0.38 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.99 3.58 -1.45 6.34 5.04 0.01 -0.25 117.35 128.63 1r57 s TYR 92 Ca 0.00 1.62 -0.11 0.00 -2.44 0.00 0.00 57.07 56.14 1r57 s TYR 92 Cb 0.00 -3.15 0.04 0.00 0.35 0.00 0.00 41.96 39.21 1r57 s TYR 92 CO 0.00 -0.13 2.35 1.28 -1.34 0.00 0.00 175.55 177.71 1r57 n LEU 93 N 4.51 7.39 -0.99 6.97 4.77 -0.17 -4.34 117.00 135.14 1r57 n LEU 93 Ca 0.07 -4.36 0.12 0.00 -0.03 0.00 0.00 56.01 51.81 1r57 n LEU 93 Cb 0.50 -1.57 0.15 0.00 -2.33 0.00 0.00 43.42 40.16 1r57 n LEU 93 CO 0.52 1.48 0.66 0.61 -1.33 0.00 0.00 177.39 179.33 1r57 n GLY 94 N 3.50 1.13 1.76 -0.72 0.00 -1.26 -4.37 105.19 105.22 1r57 n GLY 94 Ca 0.57 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 1r57 n GLY 94 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1r57 n LEU 95 N 1.33 5.47 -0.14 0.99 -0.00 -1.26 -4.52 117.00 118.86 1r57 n LEU 95 Ca 0.16 -2.87 -0.04 0.00 -0.00 0.00 0.00 56.01 53.26 1r57 n LEU 95 Cb 0.59 -0.77 0.05 0.00 -0.00 0.00 0.00 43.42 43.29 1r57 n LEU 95 CO 0.15 0.91 0.94 1.05 -0.00 0.00 0.00 177.39 180.44 1r57 h GLU 96 N 0.78 0.29 0.00 1.47 -0.00 -1.96 -3.46 114.58 111.70 1r57 h GLU 96 Ca 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.70 1r57 h GLU 96 Cb 1.82 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.51 1r57 h GLU 96 CO 0.69 0.19 0.00 -2.39 -0.00 0.00 0.00 179.01 177.50 1r57 n HIS 97 N -5.04 0.00 -0.08 2.06 1.44 -1.26 -5.02 115.22 107.33 1r57 n HIS 97 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.63 1r57 n HIS 97 Cb 0.19 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 1r57 n HIS 97 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1r57 n HIS 98 N 0.00 0.34 -3.48 -1.40 1.44 -1.26 -5.06 115.22 105.79 1r57 n HIS 98 Ca 0.00 0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1r57 n HIS 98 Cb 0.00 -1.06 0.00 0.00 0.12 0.00 0.00 29.99 29.05 1r57 n HIS 98 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1r57 n HIS 99 N -2.96 -0.80 0.00 -1.40 -0.00 -1.26 -4.67 115.22 104.13 1r57 n HIS 99 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 1r57 n HIS 99 Cb 1.10 0.15 0.00 0.00 -0.00 0.00 0.00 29.99 31.24 1r57 n HIS 99 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r57 n HIS 100 N -0.15 0.00 0.00 4.41 -0.00 -1.26 -4.03 115.22 114.19 1r57 n HIS 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1r57 n HIS 100 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1r57 n HIS 100 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1r57 n HIS 101 N 0.00 0.00 0.51 1.57 -0.00 -1.26 -5.10 115.22 110.94 1r57 n HIS 101 Ca 0.00 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.24 1r57 n HIS 101 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 1r57 n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38