#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 -5.77 -3.38 7.83 3.41 -1.26 -4.97 113.62 109.48 1r57 n SER 2 Ca 0.00 -0.80 -0.26 0.00 -0.26 0.00 0.00 58.87 57.55 1r57 n SER 2 Cb 0.00 -3.39 -0.08 0.00 -0.26 0.00 0.00 64.21 60.48 1r57 n SER 2 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r57 n ASN 3 N -2.46 1.73 -0.14 4.04 5.03 -1.26 -4.75 115.26 117.46 1r57 n ASN 3 Ca -0.13 -2.99 0.01 0.00 0.87 0.00 0.00 54.58 52.34 1r57 n ASN 3 Cb 0.60 -0.65 0.01 0.00 -1.02 0.00 0.00 39.78 38.71 1r57 n ASN 3 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1r57 n LEU 4 N 1.43 0.43 -4.80 3.41 7.94 -1.26 -5.01 117.00 119.13 1r57 n LEU 4 Ca 0.25 -0.75 -0.31 0.00 -1.11 0.00 0.00 56.01 54.09 1r57 n LEU 4 Cb 0.46 -0.03 0.07 0.00 0.53 0.00 0.00 43.42 44.45 1r57 n LEU 4 CO 0.26 0.18 0.71 -1.83 -1.11 0.00 0.00 177.39 175.60 1r57 s GLU 5 N -0.33 2.51 -0.25 1.96 -1.05 -1.26 -5.04 118.70 115.23 1r57 s GLU 5 Ca 0.02 0.87 -0.08 0.00 -0.15 0.00 0.00 54.97 55.63 1r57 s GLU 5 Cb 0.02 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 1r57 s GLU 5 CO 0.00 -1.38 0.10 0.42 0.95 0.00 0.00 175.26 175.36 1r57 s ILE 6 N -3.06 4.64 -0.12 1.83 1.01 -1.26 -4.63 121.20 119.61 1r57 s ILE 6 Ca 0.59 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.89 1r57 s ILE 6 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 1r57 s ILE 6 CO 0.55 0.32 1.04 -0.54 0.00 0.00 0.00 174.94 176.31 1r57 s LYS 7 N 1.56 4.38 -0.33 2.79 3.01 0.10 -4.90 119.74 126.36 1r57 s LYS 7 Ca 0.06 1.42 -0.23 0.00 -1.01 0.00 0.00 55.97 56.22 1r57 s LYS 7 Cb -0.15 -3.56 0.00 0.00 -1.01 0.00 0.00 37.83 33.11 1r57 s LYS 7 CO 0.06 -0.39 0.75 -1.14 0.51 0.00 0.00 175.35 175.13 1r57 s GLN 8 N 2.26 3.87 0.00 1.68 0.74 -1.26 -2.02 119.66 124.92 1r57 s GLN 8 Ca 0.49 0.41 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1r57 s GLN 8 Cb -0.18 -3.76 0.00 0.00 1.10 0.00 0.00 33.01 30.17 1r57 s GLN 8 CO 0.16 -0.71 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 1r57 n GLY 9 N 4.38 4.79 3.56 2.59 0.00 0.58 -5.02 105.19 116.06 1r57 n GLY 9 Ca 0.02 -2.16 -0.26 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.50 2.13 -1.52 1.61 2.02 -1.26 -2.84 118.70 117.34 1r57 s GLU 10 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1r57 s GLU 10 Cb 0.00 -4.74 0.00 0.00 0.10 0.00 0.00 34.13 29.49 1r57 s GLU 10 CO 0.00 -3.61 0.00 0.09 0.02 0.00 0.00 175.26 171.76 1r57 n ASN 11 N 15.84 -4.70 -3.84 -0.19 4.13 -1.26 -4.93 115.26 120.30 1r57 n ASN 11 Ca 0.38 0.20 -0.12 0.00 1.68 0.00 0.00 54.58 56.72 1r57 n ASN 11 Cb 0.48 -4.04 -0.13 0.00 -1.54 0.00 0.00 39.78 34.56 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 -4.50 0.16 -0.14 3.52 -2.85 -1.13 -1.91 119.74 112.89 1r57 s LYS 12 Ca 0.00 0.08 0.02 0.00 -1.00 0.00 0.00 55.97 55.07 1r57 s LYS 12 Cb 0.00 0.07 0.01 0.00 -2.06 0.00 0.00 37.83 35.85 1r57 s LYS 12 CO 0.00 -0.02 -0.22 -0.06 0.10 0.00 0.00 175.35 175.15 1r57 s PHE 13 N -0.11 2.67 0.01 1.78 0.08 -0.49 -0.31 117.98 121.61 1r57 s PHE 13 Ca -0.02 -1.36 0.03 0.00 0.12 0.00 0.00 56.93 55.70 1r57 s PHE 13 Cb -0.02 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1r57 s PHE 13 CO 0.00 -0.62 -0.10 1.52 -0.10 0.00 0.00 175.22 175.92 1r57 s TYR 14 N 0.84 0.85 -0.23 0.36 1.13 -0.86 -1.09 117.35 118.35 1r57 s TYR 14 Ca -0.06 -0.23 -0.04 0.00 -1.41 0.00 0.00 57.07 55.32 1r57 s TYR 14 Cb -0.15 -0.53 -0.01 0.00 -1.10 0.00 0.00 41.96 40.17 1r57 s TYR 14 CO -0.03 -0.01 -0.02 0.42 -2.51 0.00 0.00 175.55 173.40 1r57 s ILE 15 N -0.47 3.47 -3.01 -3.49 1.01 0.73 -0.72 121.20 118.72 1r57 s ILE 15 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1r57 s ILE 15 Cb -0.05 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1r57 s ILE 15 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1r57 n GLY 16 N 4.81 -1.60 0.07 6.18 0.00 -1.26 -2.37 105.19 111.01 1r57 n GLY 16 Ca -0.18 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 0.05 -0.64 1.61 3.32 -1.91 -3.48 116.42 115.37 1r57 h ASP 17 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1r57 h ASP 17 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1r57 h ASP 17 CO 0.00 0.76 0.00 -0.90 -1.72 0.00 0.00 179.24 177.38 1r57 n ASP 18 N -4.70 0.00 -0.04 6.45 5.75 -1.26 -4.97 116.55 117.78 1r57 n ASP 18 Ca -0.09 -0.44 -0.03 0.00 -0.01 0.00 0.00 54.79 54.22 1r57 n ASP 18 Cb 0.38 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.69 1r57 n ASP 18 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1r57 h GLU 19 N 0.00 0.62 0.23 0.11 5.08 -1.99 -2.03 114.58 116.60 1r57 h GLU 19 Ca 0.00 -0.17 -0.33 0.00 -1.00 0.00 0.00 59.36 57.86 1r57 h GLU 19 Cb 0.00 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.21 1r57 h GLU 19 CO 0.00 0.68 -1.48 -0.91 -1.00 0.00 0.00 179.01 176.30 1r57 h ASN 20 N 0.58 0.76 -0.41 1.42 4.21 -2.02 -3.26 115.58 116.87 1r57 h ASN 20 Ca 0.11 -0.84 -0.22 0.00 1.21 0.00 0.00 56.30 56.56 1r57 h ASN 20 Cb 0.45 -0.25 -0.12 0.00 -1.12 0.00 0.00 38.32 37.28 1r57 h ASN 20 CO 0.02 1.67 0.28 0.59 -1.29 0.00 0.00 177.43 178.70 1r57 n ASN 21 N -3.67 3.82 -4.56 5.81 4.13 -1.13 -4.79 115.26 114.87 1r57 n ASN 21 Ca -0.16 -2.71 -0.39 0.00 1.68 0.00 0.00 54.58 53.00 1r57 n ASN 21 Cb 1.09 -0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 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 -1.37 2.57 0.20 5.41 0.00 -0.78 -2.59 121.76 125.20 1r57 s ALA 22 Ca 0.24 -1.90 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1r57 s ALA 22 Cb 0.20 -4.46 0.12 0.00 0.00 0.00 0.00 23.12 18.98 1r57 s ALA 22 CO 0.04 -3.70 1.47 -0.07 0.00 0.00 0.00 175.76 173.49 1r57 h LEU 23 N 13.62 0.17 -6.96 0.00 3.38 -1.77 -3.43 115.31 120.33 1r57 h LEU 23 Ca 0.06 -0.13 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 1r57 h LEU 23 Cb 1.02 -0.05 -0.35 0.00 0.09 0.00 0.00 40.66 41.38 1r57 h LEU 23 CO 1.36 0.87 -0.59 0.00 0.09 0.00 0.00 178.44 180.17 1r57 s ALA 24 N -3.39 -0.38 0.06 1.53 0.00 -1.10 -0.79 121.76 117.68 1r57 s ALA 24 Ca -0.02 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1r57 s ALA 24 Cb 0.11 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1r57 s ALA 24 CO 0.80 -0.95 -0.06 -1.83 0.00 0.00 0.00 175.76 173.72 1r57 s GLU 25 N 2.36 0.61 0.00 0.00 4.04 -0.41 -0.19 118.70 125.11 1r57 s GLU 25 Ca 0.05 -1.01 0.00 0.00 0.04 0.00 0.00 54.97 54.05 1r57 s GLU 25 Cb -0.14 -0.11 -0.00 0.00 0.02 0.00 0.00 34.13 33.89 1r57 s GLU 25 CO -0.10 -0.02 -0.01 -1.50 -1.84 0.00 0.00 175.26 171.79 1r57 s ILE 26 N -2.59 0.05 0.07 1.83 2.07 -0.25 -1.35 121.20 121.03 1r57 s ILE 26 Ca -0.01 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.12 1r57 s ILE 26 Cb -0.02 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.46 1r57 s ILE 26 CO -0.03 -0.09 -0.22 0.42 -1.91 0.00 0.00 174.94 173.10 1r57 s THR 27 N -0.29 1.82 -0.07 4.00 -4.23 -0.50 -1.39 115.64 114.98 1r57 s THR 27 Ca -0.03 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1r57 s THR 27 Cb -0.02 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.24 1r57 s THR 27 CO -0.00 0.14 0.17 -0.72 -0.54 0.00 0.00 174.62 173.67 1r57 s TYR 28 N -0.94 -0.20 0.13 3.99 1.13 -0.80 -1.08 117.35 119.58 1r57 s TYR 28 Ca 0.09 0.49 0.06 0.00 -1.41 0.00 0.00 57.07 56.29 1r57 s TYR 28 Cb -0.09 0.05 -0.04 0.00 -1.10 0.00 0.00 41.96 40.77 1r57 s TYR 28 CO 0.03 -0.11 -0.14 -0.98 -2.51 0.00 0.00 175.55 171.84 1r57 s ARG 29 N 0.30 1.05 -0.70 -3.49 1.70 -1.04 -4.76 118.95 112.01 1r57 s ARG 29 Ca -0.02 -1.27 -0.25 0.00 -0.47 0.00 0.00 55.73 53.72 1r57 s ARG 29 Cb -0.03 -0.94 0.05 0.00 -0.57 0.00 0.00 34.95 33.46 1r57 s ARG 29 CO -0.01 0.18 1.14 -0.06 -1.08 0.00 0.00 175.30 175.47 1r57 s PHE 30 N -2.19 2.46 0.10 5.89 0.40 -1.26 -2.29 117.98 121.10 1r57 s PHE 30 Ca 0.10 -0.23 -0.11 0.00 -0.60 0.00 0.00 56.93 56.10 1r57 s PHE 30 Cb -0.05 -4.47 -0.15 0.00 0.51 0.00 0.00 43.02 38.86 1r57 s PHE 30 CO 0.03 -1.87 1.28 -0.39 0.70 0.00 0.00 175.22 174.98 1r57 h VAL 31 N 6.01 1.30 0.00 -0.44 -1.51 -1.81 -3.45 116.25 116.36 1r57 h VAL 31 Ca -0.28 -2.15 0.00 0.00 -1.23 0.00 0.00 66.70 63.04 1r57 h VAL 31 Cb 1.06 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1r57 h VAL 31 CO 1.23 0.67 0.00 -0.67 -1.23 0.00 0.00 177.57 177.57 1r57 n ASP 32 N -3.87 0.00 0.00 4.19 2.03 -1.24 -5.08 116.55 112.57 1r57 n ASP 32 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1r57 n ASP 32 Cb 0.80 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 1r57 n ASP 32 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1r57 n ASN 33 N -1.08 0.00 -0.36 1.67 4.13 -1.26 -4.91 115.26 113.45 1r57 n ASN 33 Ca 0.00 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 1r57 n ASN 33 Cb 0.00 0.00 0.56 0.00 -1.54 0.00 0.00 39.78 38.80 1r57 n ASN 33 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1r57 n ASN 34 N -0.33 1.16 -4.63 6.41 3.02 -1.26 -4.79 115.26 114.84 1r57 n ASN 34 Ca 0.00 -1.27 -0.41 0.00 -0.03 0.00 0.00 54.58 52.87 1r57 n ASN 34 Cb 0.00 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 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 -2.12 4.13 0.07 3.52 8.01 -1.26 -0.38 118.70 130.67 1r57 s GLU 35 Ca 0.36 0.66 0.09 0.00 0.01 0.00 0.00 54.97 56.08 1r57 s GLU 35 Cb 0.21 -3.65 -0.03 0.00 -4.31 0.00 0.00 34.13 26.34 1r57 s GLU 35 CO 0.38 -0.44 -0.21 0.96 0.01 0.00 0.00 175.26 175.95 1r57 s ILE 36 N 2.60 2.56 0.00 -1.63 -4.36 0.79 -2.16 121.20 119.01 1r57 s ILE 36 Ca 0.29 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 59.37 1r57 s ILE 36 Cb -0.15 -2.09 -0.03 0.00 1.25 0.00 0.00 42.46 41.44 1r57 s ILE 36 CO 0.08 0.26 -0.22 0.54 0.24 0.00 0.00 174.94 175.84 1r57 s ASN 37 N -1.61 3.41 -0.72 4.36 4.22 -0.97 -0.78 114.94 122.84 1r57 s ASN 37 Ca 0.14 -0.44 -0.26 0.00 -2.14 0.00 0.00 52.86 50.16 1r57 s ASN 37 Cb -0.10 -0.48 0.01 0.00 1.28 0.00 0.00 41.25 41.96 1r57 s ASN 37 CO 0.05 0.30 1.56 -0.63 -2.04 0.00 0.00 177.10 176.34 1r57 s ILE 38 N -0.74 3.58 0.02 0.54 1.01 0.81 -2.51 121.20 123.90 1r57 s ILE 38 Ca 0.12 0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1r57 s ILE 38 Cb -0.10 -4.50 -0.16 0.00 0.01 0.00 0.00 42.46 37.70 1r57 s ILE 38 CO 0.01 -1.45 1.27 -0.78 0.00 0.00 0.00 174.94 173.99 1r57 h ASP 39 N 11.96 -0.40 -4.20 3.58 1.82 -1.43 -1.59 116.42 126.16 1r57 h ASP 39 Ca -0.21 -0.14 -0.18 0.00 -0.39 0.00 0.00 57.03 56.11 1r57 h ASP 39 Cb 1.09 0.10 -0.24 0.00 0.68 0.00 0.00 39.33 40.95 1r57 h ASP 39 CO 1.26 -0.05 -0.54 -2.28 -1.61 0.00 0.00 179.24 176.03 1r57 s HIS 40 N -4.80 -0.08 -0.44 0.28 5.04 -1.25 -4.08 115.29 109.96 1r57 s HIS 40 Ca -0.14 0.18 0.02 0.00 -1.54 0.00 0.00 55.06 53.58 1r57 s HIS 40 Cb 0.02 0.01 0.13 0.00 0.04 0.00 0.00 32.58 32.79 1r57 s HIS 40 CO 0.54 -0.15 0.23 0.99 -2.34 0.00 0.00 174.74 174.02 1r57 s THR 41 N -0.44 1.47 -1.31 0.89 2.01 -1.26 -1.41 115.64 115.59 1r57 s THR 41 Ca -0.05 -2.58 -0.11 0.00 0.31 0.00 0.00 61.69 59.26 1r57 s THR 41 Cb -0.03 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.58 1r57 s THR 41 CO 0.01 -0.88 1.89 0.61 -0.69 0.00 0.00 174.62 175.56 1r57 n GLY 42 N 3.55 4.39 3.29 4.40 0.00 -0.46 -4.93 105.19 115.43 1r57 n GLY 42 Ca 0.08 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 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 1.38 3.28 -0.00 1.61 1.01 -1.26 -1.29 120.40 125.13 1r57 s VAL 43 Ca 0.42 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1r57 s VAL 43 Cb 0.09 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1r57 s VAL 43 CO -0.01 0.39 1.21 -0.44 0.00 0.00 0.00 175.10 176.25 1r57 s SER 44 N 1.45 7.05 -0.29 3.32 0.01 0.03 -4.99 113.70 120.29 1r57 s SER 44 Ca 0.05 1.92 0.01 0.00 1.31 0.00 0.00 55.95 59.23 1r57 s SER 44 Cb -0.15 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.58 1r57 s SER 44 CO -0.04 -0.55 -0.04 -0.62 0.41 0.00 0.00 173.24 172.40 1r57 s ASP 45 N 1.35 4.69 -0.05 2.44 2.15 -1.26 -4.49 116.67 121.51 1r57 s ASP 45 Ca 0.58 -1.39 -0.12 0.00 0.43 0.00 0.00 52.55 52.05 1r57 s ASP 45 Cb -0.27 -1.64 -0.06 0.00 -0.30 0.00 0.00 42.92 40.65 1r57 s ASP 45 CO 0.25 -0.24 0.49 -0.33 -0.17 0.00 0.00 175.17 175.17 1r57 h GLU 46 N 7.88 -0.40 0.00 4.34 5.08 -1.95 -3.43 114.58 126.09 1r57 h GLU 46 Ca -0.19 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1r57 h GLU 46 Cb 1.05 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r57 h GLU 46 CO 0.50 -0.27 -0.44 1.28 -1.00 0.00 0.00 179.01 179.09 1r57 n LEU 47 N -4.94 0.00 0.00 1.33 4.77 -1.26 -5.03 117.00 111.87 1r57 n LEU 47 Ca -0.05 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1r57 n LEU 47 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1r57 n LEU 47 CO 0.12 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1r57 n GLY 48 N 0.00 1.62 0.24 -0.72 0.00 -1.26 -4.45 105.19 100.62 1r57 n GLY 48 Ca 0.00 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1r57 n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r57 h GLY 49 N 0.00 0.00 -3.62 -0.02 0.00 -2.00 -0.72 103.07 96.71 1r57 h GLY 49 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1r57 h GLY 49 CO 0.00 0.00 0.09 -1.06 0.00 0.00 0.00 176.54 175.57 1r57 n GLN 50 N -3.76 4.55 -2.53 4.80 6.02 -1.26 -4.90 117.38 120.30 1r57 n GLN 50 Ca -0.02 -3.13 -0.41 0.00 -0.01 0.00 0.00 57.00 53.43 1r57 n GLN 50 Cb 0.30 -2.26 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 1r57 n GLN 50 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1r57 s GLY 51 N -0.84 0.93 0.46 1.08 0.00 -0.28 -4.50 107.32 104.17 1r57 s GLY 51 Ca 0.55 -1.13 0.31 0.00 0.00 0.00 0.00 44.72 44.45 1r57 s GLY 51 CO 0.15 2.65 1.95 -2.08 0.00 0.00 0.00 173.10 175.78 1r57 h VAL 52 N 6.13 0.00 -0.57 1.40 2.07 -1.88 -2.72 116.25 120.69 1r57 h VAL 52 Ca -0.27 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.27 1r57 h VAL 52 Cb 1.06 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1r57 h VAL 52 CO 1.24 0.00 0.39 1.23 0.02 0.00 0.00 177.57 180.45 1r57 h GLY 53 N 0.59 0.37 1.26 2.17 0.00 -1.88 -1.24 103.07 104.34 1r57 h GLY 53 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1r57 h GLY 53 CO 0.00 0.05 0.20 0.50 0.00 0.00 0.00 176.54 177.30 1r57 h LYS 54 N 0.25 0.94 -0.55 4.80 1.57 -1.87 0.14 116.57 121.84 1r57 h LYS 54 Ca 0.27 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1r57 h LYS 54 Cb 0.72 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1r57 h LYS 54 CO -0.05 0.80 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.32 1r57 h LYS 55 N 0.91 1.03 -0.21 3.15 3.64 -1.45 -0.53 116.57 123.11 1r57 h LYS 55 Ca 0.21 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1r57 h LYS 55 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1r57 h LYS 55 CO -0.01 1.05 -0.03 -0.07 -2.27 0.00 0.00 179.45 178.12 1r57 h LEU 56 N 0.92 0.39 -0.52 5.20 3.38 -1.24 -2.58 115.31 120.86 1r57 h LEU 56 Ca 0.15 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.81 1r57 h LEU 56 Cb 0.65 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1r57 h LEU 56 CO 0.04 0.65 0.26 -0.07 0.09 0.00 0.00 178.44 179.42 1r57 h LEU 57 N 0.12 0.38 -0.30 1.67 4.07 -0.57 -0.47 115.31 120.21 1r57 h LEU 57 Ca 0.05 0.03 0.05 0.00 0.08 0.00 0.00 57.88 58.09 1r57 h LEU 57 Cb 0.47 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1r57 h LEU 57 CO 0.02 0.26 0.03 0.50 -1.08 0.00 0.00 178.44 178.17 1r57 h LYS 58 N 0.51 0.13 -0.45 1.13 3.64 -1.06 -0.21 116.57 120.26 1r57 h LYS 58 Ca 0.23 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1r57 h LYS 58 Cb 0.13 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1r57 h LYS 58 CO -0.16 0.09 0.22 0.00 -2.27 0.00 0.00 179.45 177.33 1r57 h ALA 59 N 1.24 0.58 0.01 5.00 0.00 -1.00 0.26 119.26 125.35 1r57 h ALA 59 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r57 h ALA 59 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r57 h ALA 59 CO -0.21 0.14 -0.00 0.28 0.00 0.00 0.00 179.25 179.46 1r57 h VAL 60 N 0.59 1.17 -0.63 0.00 2.07 -0.77 -0.41 116.25 118.26 1r57 h VAL 60 Ca 0.16 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1r57 h VAL 60 Cb 0.12 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1r57 h VAL 60 CO -0.02 0.13 0.23 0.58 0.02 0.00 0.00 177.57 178.52 1r57 h VAL 61 N -0.23 1.24 -0.19 2.57 2.07 -0.98 0.20 116.25 120.93 1r57 h VAL 61 Ca -0.00 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1r57 h VAL 61 Cb 0.22 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1r57 h VAL 61 CO 0.00 0.30 0.11 -0.08 0.02 0.00 0.00 177.57 177.93 1r57 h GLU 62 N 0.90 0.23 -0.54 1.57 4.81 -0.87 0.12 114.58 120.79 1r57 h GLU 62 Ca 0.21 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1r57 h GLU 62 Cb 0.24 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1r57 h GLU 62 CO -0.01 0.15 0.16 1.25 -0.73 0.00 0.00 179.01 179.82 1r57 h HIS 63 N 0.24 0.89 -0.48 0.92 2.76 -0.81 -2.93 115.15 115.74 1r57 h HIS 63 Ca 0.07 -0.10 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 1r57 h HIS 63 Cb -0.01 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1r57 h HIS 63 CO -0.08 0.76 0.02 0.00 -1.30 0.00 0.00 177.93 177.34 1r57 h ALA 64 N 1.02 0.64 -0.35 5.26 0.00 -0.24 -2.00 119.26 123.59 1r57 h ALA 64 Ca 0.17 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r57 h ALA 64 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1r57 h ALA 64 CO -0.00 0.43 0.17 -0.09 0.00 0.00 0.00 179.25 179.76 1r57 h ARG 65 N 0.69 0.35 0.00 0.00 2.43 -0.72 0.16 114.38 117.29 1r57 h ARG 65 Ca 0.14 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1r57 h ARG 65 Cb 0.48 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1r57 h ARG 65 CO 0.02 0.23 0.00 0.93 -1.51 0.00 0.00 179.97 179.64 1r57 h GLU 66 N 0.36 0.00 -0.15 0.20 4.39 -1.39 -2.56 114.58 115.42 1r57 h GLU 66 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1r57 h GLU 66 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1r57 h GLU 66 CO -0.10 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 177.84 1r57 n ASN 67 N -2.90 3.06 -1.62 1.42 5.03 -0.66 -4.95 115.26 114.64 1r57 n ASN 67 Ca 0.01 -1.95 -0.16 0.00 0.87 0.00 0.00 54.58 53.35 1r57 n ASN 67 Cb 0.31 -0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 38.96 1r57 n ASN 67 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1r57 n ASN 68 N 1.32 -4.81 -4.82 6.41 3.02 -0.07 -4.98 115.26 111.33 1r57 n ASN 68 Ca 0.15 0.12 -0.36 0.00 -0.03 0.00 0.00 54.58 54.46 1r57 n ASN 68 Cb 0.57 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.82 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 -4.26 4.34 -0.21 3.41 1.43 0.38 -4.91 118.68 118.87 1r57 s LEU 69 Ca 0.00 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.36 1r57 s LEU 69 Cb 0.00 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 1r57 s LEU 69 CO 0.00 0.05 0.12 -0.54 0.23 0.00 0.00 176.35 176.21 1r57 s LYS 70 N -1.96 4.11 -0.28 1.70 1.02 0.49 -4.56 119.74 120.26 1r57 s LYS 70 Ca 0.42 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 1r57 s LYS 70 Cb -0.16 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1r57 s LYS 70 CO 0.21 0.23 0.13 0.42 -0.92 0.00 0.00 175.35 175.42 1r57 s ILE 71 N 0.54 4.66 0.49 2.17 1.01 0.12 -0.15 121.20 130.04 1r57 s ILE 71 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1r57 s ILE 71 Cb -0.12 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1r57 s ILE 71 CO 0.00 0.21 0.12 0.27 0.00 0.00 0.00 174.94 175.54 1r57 s ILE 72 N 1.65 1.59 -0.03 2.92 -4.36 0.04 -3.94 121.20 119.07 1r57 s ILE 72 Ca 0.06 -1.83 -0.01 0.00 -0.26 0.00 0.00 60.65 58.61 1r57 s ILE 72 Cb -0.16 -2.42 0.03 0.00 1.25 0.00 0.00 42.46 41.15 1r57 s ILE 72 CO 0.06 0.00 0.06 0.00 0.24 0.00 0.00 174.94 175.30 1r57 s ALA 73 N -2.78 -0.02 -0.32 2.27 0.00 -1.26 -0.13 121.76 119.51 1r57 s ALA 73 Ca 0.22 0.35 0.23 0.00 0.00 0.00 0.00 51.96 52.76 1r57 s ALA 73 Cb 0.02 -0.26 0.06 0.00 0.00 0.00 0.00 23.12 22.94 1r57 s ALA 73 CO 0.13 -0.10 1.09 0.77 0.00 0.00 0.00 175.76 177.64 1r57 h SER 74 N 7.07 0.00 -3.35 0.00 0.02 -1.54 -3.46 113.55 112.29 1r57 h SER 74 Ca -0.41 -0.05 -0.59 0.00 -0.84 0.00 0.00 61.79 59.89 1r57 h SER 74 Cb 1.14 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.58 1r57 h SER 74 CO 0.47 0.03 -0.27 0.00 -1.14 0.00 0.00 176.83 175.92 1r57 h SER 76 N 6.87 0.40 0.08 0.00 4.64 -1.94 -0.77 113.55 122.84 1r57 h SER 76 Ca -0.40 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1r57 h SER 76 Cb 1.17 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.12 1r57 h SER 76 CO 0.75 0.39 -0.25 0.15 -0.87 0.00 0.00 176.83 176.99 1r57 h PHE 77 N 0.45 -0.67 -0.36 4.77 3.57 -1.97 0.39 116.94 123.11 1r57 h PHE 77 Ca 0.11 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.46 1r57 h PHE 77 Cb 0.12 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1r57 h PHE 77 CO 0.00 -0.35 -0.43 0.00 -2.23 0.00 0.00 178.31 175.31 1r57 h ALA 78 N 0.33 0.57 -0.63 2.41 0.00 -1.90 -2.92 119.26 117.12 1r57 h ALA 78 Ca 0.04 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1r57 h ALA 78 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1r57 h ALA 78 CO -0.17 0.68 0.40 -0.22 0.00 0.00 0.00 179.25 179.94 1r57 h LYS 79 N 0.73 0.77 0.00 0.00 3.64 -0.81 -2.07 116.57 118.83 1r57 h LYS 79 Ca 0.05 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1r57 h LYS 79 Cb 1.02 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1r57 h LYS 79 CO 0.10 0.51 -0.75 1.25 -2.27 0.00 0.00 179.45 178.29 1r57 h HIS 80 N 0.79 0.00 -0.18 1.91 2.76 -0.96 -2.35 115.15 117.12 1r57 h HIS 80 Ca 0.25 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1r57 h HIS 80 Cb -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1r57 h HIS 80 CO -0.04 0.75 -0.11 0.52 -1.30 0.00 0.00 177.93 177.74 1r57 h MET 81 N 0.00 0.40 0.00 5.26 2.86 -1.27 -2.87 114.93 119.30 1r57 h MET 81 Ca -0.01 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1r57 h MET 81 Cb 1.48 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1r57 h MET 81 CO 0.10 0.72 -0.09 -0.07 1.06 0.00 0.00 176.91 178.62 1r57 h LEU 82 N 0.07 0.00 -0.44 1.22 3.38 -1.42 -2.73 115.31 115.40 1r57 h LEU 82 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1r57 h LEU 82 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1r57 h LEU 82 CO 0.03 0.09 0.02 -0.08 0.09 0.00 0.00 178.44 178.59 1r57 h GLU 83 N 0.00 0.76 0.00 1.13 4.81 -1.21 -3.01 114.58 117.06 1r57 h GLU 83 Ca -0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1r57 h GLU 83 Cb 0.64 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1r57 h GLU 83 CO 0.01 0.82 -0.37 1.57 -0.73 0.00 0.00 179.01 180.31 1r57 h LYS 84 N 0.60 0.00 -4.44 1.92 5.09 -1.40 -3.42 116.57 114.93 1r57 h LYS 84 Ca 0.13 0.00 -0.74 0.00 0.09 0.00 0.00 60.65 60.13 1r57 h LYS 84 Cb 0.47 0.00 -0.22 0.00 0.10 0.00 0.00 32.23 32.58 1r57 h LYS 84 CO 0.02 0.00 0.33 -2.00 -2.09 0.00 0.00 179.45 175.71 1r57 s GLU 85 N -3.24 3.45 0.00 0.07 2.56 -1.04 -4.84 118.70 115.66 1r57 s GLU 85 Ca 0.05 -1.94 0.18 0.00 0.00 0.00 0.00 54.97 53.27 1r57 s GLU 85 Cb 0.08 -4.55 0.91 0.00 2.00 0.00 0.00 34.13 32.57 1r57 s GLU 85 CO 0.70 -1.51 1.55 -0.40 -0.56 0.00 0.00 175.26 175.05 1r57 n ASP 86 N 5.42 0.00 0.27 -1.70 5.68 -1.26 -2.53 116.55 122.43 1r57 n ASP 86 Ca 0.11 0.07 0.16 0.00 -0.50 0.00 0.00 54.79 54.63 1r57 n ASP 86 Cb 0.46 -0.30 0.67 0.00 -1.14 0.00 0.00 41.12 40.81 1r57 n ASP 86 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1r57 h SER 87 N 0.00 0.00 -0.41 -1.12 0.02 -1.92 -2.66 113.55 107.46 1r57 h SER 87 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1r57 h SER 87 Cb 0.18 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 1r57 h SER 87 CO 0.00 0.03 0.05 -1.22 -1.14 0.00 0.00 176.83 174.55 1r57 n TYR 88 N -3.14 1.33 0.51 3.45 4.01 -1.05 -4.68 117.16 117.59 1r57 n TYR 88 Ca 0.00 -1.30 0.06 0.00 -0.16 0.00 0.00 57.90 56.51 1r57 n TYR 88 Cb 0.31 -0.48 0.29 0.00 -0.31 0.00 0.00 39.34 39.16 1r57 n TYR 88 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1r57 n GLN 89 N -0.79 0.07 0.14 -0.72 7.27 -1.00 -2.43 117.38 119.92 1r57 n GLN 89 Ca 0.32 0.24 -0.14 0.00 0.07 0.00 0.00 57.00 57.48 1r57 n GLN 89 Cb 1.07 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 32.14 1r57 n GLN 89 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1r57 h ASP 90 N 0.00 -0.28 0.00 1.69 3.32 -1.85 -3.33 116.42 115.96 1r57 h ASP 90 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1r57 h ASP 90 Cb 0.18 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1r57 h ASP 90 CO 0.00 -0.05 -1.08 1.33 -1.72 0.00 0.00 179.24 177.72 1r57 n VAL 91 N -5.15 0.00 -3.04 -1.35 0.24 -1.14 -4.90 118.33 102.98 1r57 n VAL 91 Ca -0.09 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.67 1r57 n VAL 91 Cb 0.21 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.34 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 -2.88 3.45 -0.10 6.34 5.04 -1.02 -0.70 117.35 127.48 1r57 s TYR 92 Ca 0.04 1.11 -0.05 0.00 -2.44 0.00 0.00 57.07 55.73 1r57 s TYR 92 Cb 0.14 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.59 1r57 s TYR 92 CO 0.77 -0.10 -0.09 -0.07 -1.34 0.00 0.00 175.55 174.72 1r57 h LEU 93 N 7.72 0.00 0.00 6.97 3.38 -1.88 -3.45 115.31 128.06 1r57 h LEU 93 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1r57 h LEU 93 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1r57 h LEU 93 CO 0.78 0.54 0.00 0.61 0.09 0.00 0.00 178.44 180.47 1r57 n GLY 94 N 1.71 -0.75 3.47 0.83 0.00 -1.26 -4.93 105.19 104.25 1r57 n GLY 94 Ca -0.04 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 1r57 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r57 s LEU 95 N 0.00 -0.22 -0.05 0.99 2.96 -1.26 -5.17 118.68 115.93 1r57 s LEU 95 Ca 0.00 1.16 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 1r57 s LEU 95 Cb 0.00 1.95 0.03 0.00 0.50 0.00 0.00 46.19 48.68 1r57 s LEU 95 CO 0.00 -0.20 0.37 -0.70 -1.32 0.00 0.00 176.35 174.50 1r57 s GLU 96 N 0.43 0.65 -0.30 1.98 -6.30 -1.26 -5.05 118.70 108.86 1r57 s GLU 96 Ca -0.01 0.05 0.08 0.00 -2.50 0.00 0.00 54.97 52.59 1r57 s GLU 96 Cb -0.04 0.30 0.67 0.00 0.00 0.00 0.00 34.13 35.05 1r57 s GLU 96 CO -0.01 -0.16 1.71 1.58 0.02 0.00 0.00 175.26 178.39 1r57 n HIS 97 N 1.65 2.27 -1.20 5.30 -0.00 -1.26 -4.86 115.22 117.12 1r57 n HIS 97 Ca -0.19 -1.14 -0.07 0.00 -0.00 0.00 0.00 57.72 56.32 1r57 n HIS 97 Cb 0.56 -0.66 -0.03 0.00 -0.00 0.00 0.00 29.99 29.87 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 -0.16 0.00 -2.39 1.57 -0.00 -1.26 -4.89 115.22 108.08 1r57 n HIS 98 Ca 0.38 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 58.15 1r57 n HIS 98 Cb 1.31 -1.69 0.01 0.00 -0.12 0.00 0.00 29.99 29.50 1r57 n HIS 98 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1r57 n HIS 99 N -2.59 2.69 -3.20 1.57 -0.00 -1.26 -4.79 115.22 107.64 1r57 n HIS 99 Ca -0.07 -2.67 -0.26 0.00 -0.00 0.00 0.00 57.72 54.73 1r57 n HIS 99 Cb 0.33 -1.46 -0.06 0.00 -0.00 0.00 0.00 29.99 28.80 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 0.73 3.06 0.07 1.57 -0.00 -1.26 -4.64 115.22 114.75 1r57 n HIS 100 Ca 0.52 -4.01 -0.12 0.00 0.46 0.00 0.00 57.72 54.58 1r57 n HIS 100 Cb 0.26 -0.50 -0.03 0.00 -0.12 0.00 0.00 29.99 29.60 1r57 n HIS 100 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1r57 h HIS 101 N 3.62 0.52 0.00 1.57 2.76 -2.04 -3.54 115.15 118.03 1r57 h HIS 101 Ca 0.15 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1r57 h HIS 101 Cb 0.65 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.55 1r57 h HIS 101 CO 0.70 1.09 0.00 1.58 -1.30 0.00 0.00 177.93 180.00