#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r57 s SER 2 N 0.00 5.82 -0.05 6.12 0.01 -1.26 -4.96 113.70 119.38 1r57 s SER 2 Ca 0.00 1.48 0.16 0.00 1.31 0.00 0.00 55.95 58.90 1r57 s SER 2 Cb 0.00 -2.44 0.55 0.00 0.21 0.00 0.00 66.02 64.35 1r57 s SER 2 CO 0.00 -1.14 1.45 0.59 0.41 0.00 0.00 173.24 174.54 1r57 n ASN 3 N -2.93 3.59 -3.13 2.44 3.02 -1.26 -4.89 115.26 112.11 1r57 n ASN 3 Ca 0.07 -2.21 -0.14 0.00 -0.03 0.00 0.00 54.58 52.27 1r57 n ASN 3 Cb 0.54 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 39.31 1r57 n ASN 3 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1r57 n LEU 4 N 1.01 -4.98 -4.74 3.41 4.77 -1.26 -4.91 117.00 110.31 1r57 n LEU 4 Ca 0.20 -0.63 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1r57 n LEU 4 Cb 0.64 -2.97 -0.02 0.00 -2.33 0.00 0.00 43.42 38.74 1r57 n LEU 4 CO 0.17 0.16 1.31 -1.61 -1.33 0.00 0.00 177.39 176.08 1r57 s GLU 5 N -4.51 4.12 -0.45 3.23 8.01 -1.26 -4.89 118.70 122.95 1r57 s GLU 5 Ca 0.32 2.59 -0.29 0.00 0.01 0.00 0.00 54.97 57.60 1r57 s GLU 5 Cb -0.04 -3.05 0.01 0.00 -4.31 0.00 0.00 34.13 26.74 1r57 s GLU 5 CO 0.67 -0.69 1.41 0.42 0.01 0.00 0.00 175.26 177.09 1r57 s ILE 6 N 0.58 3.88 -0.01 -1.63 1.01 -1.26 -4.03 121.20 119.73 1r57 s ILE 6 Ca 0.69 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.96 1r57 s ILE 6 Cb -0.49 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 1r57 s ILE 6 CO 0.40 -0.87 0.70 -0.54 0.00 0.00 0.00 174.94 174.63 1r57 s LYS 7 N 5.09 4.43 0.32 2.79 -0.14 -0.38 -4.92 119.74 126.93 1r57 s LYS 7 Ca 0.59 0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 55.82 1r57 s LYS 7 Cb -0.13 -3.39 -0.10 0.00 -1.68 0.00 0.00 37.83 32.53 1r57 s LYS 7 CO 0.31 0.21 1.29 -0.65 -0.76 0.00 0.00 175.35 175.74 1r57 s GLN 8 N 0.29 4.39 0.15 1.68 1.11 -1.26 -2.84 119.66 123.18 1r57 s GLN 8 Ca 0.36 2.17 -0.14 0.00 0.01 0.00 0.00 55.36 57.76 1r57 s GLN 8 Cb -0.19 -3.09 0.02 0.00 -1.01 0.00 0.00 33.01 28.75 1r57 s GLN 8 CO 0.20 -0.15 0.39 0.20 0.01 0.00 0.00 175.29 175.94 1r57 s GLY 9 N -0.50 -0.01 -0.71 3.09 0.00 -1.07 -4.94 107.32 103.17 1r57 s GLY 9 Ca 0.49 -0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.60 1r57 s GLY 9 CO 0.51 -0.46 2.12 1.85 0.00 0.00 0.00 173.10 177.12 1r57 s GLU 10 N -3.87 2.26 -2.01 2.90 -6.30 -1.26 -2.78 118.70 107.64 1r57 s GLU 10 Ca 0.08 0.48 0.00 0.00 -2.50 0.00 0.00 54.97 53.03 1r57 s GLU 10 Cb 0.02 -4.72 0.00 0.00 0.00 0.00 0.00 34.13 29.43 1r57 s GLU 10 CO -0.06 -3.43 0.00 0.09 0.02 0.00 0.00 175.26 171.88 1r57 n ASN 11 N 15.11 -5.51 -3.71 -1.70 3.02 -1.26 -4.95 115.26 116.26 1r57 n ASN 11 Ca 0.36 0.35 -0.12 0.00 -0.03 0.00 0.00 54.58 55.13 1r57 n ASN 11 Cb 0.49 -4.71 -0.13 0.00 -0.61 0.00 0.00 39.78 34.83 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 -4.07 0.23 -0.12 3.52 -2.85 -1.12 -2.31 119.74 113.02 1r57 s LYS 12 Ca 0.00 0.64 -0.09 0.00 -1.00 0.00 0.00 55.97 55.52 1r57 s LYS 12 Cb 0.00 -0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.66 1r57 s LYS 12 CO 0.00 -0.19 0.18 -0.06 0.10 0.00 0.00 175.35 175.38 1r57 s PHE 13 N 1.56 3.57 -0.02 1.78 0.08 -0.35 -2.59 117.98 122.02 1r57 s PHE 13 Ca -0.07 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1r57 s PHE 13 Cb -0.10 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1r57 s PHE 13 CO -0.09 0.62 0.03 1.52 -0.10 0.00 0.00 175.22 177.19 1r57 s TYR 14 N -0.70 0.06 -0.39 0.36 1.13 -1.13 -0.26 117.35 116.41 1r57 s TYR 14 Ca 0.15 0.11 -0.20 0.00 -1.41 0.00 0.00 57.07 55.72 1r57 s TYR 14 Cb -0.12 -0.24 0.01 0.00 -1.10 0.00 0.00 41.96 40.50 1r57 s TYR 14 CO 0.04 -0.09 0.60 0.42 -2.51 0.00 0.00 175.55 174.01 1r57 s ILE 15 N 1.01 4.91 0.00 -3.49 1.01 0.92 -1.25 121.20 124.31 1r57 s ILE 15 Ca -0.09 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1r57 s ILE 15 Cb -0.12 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1r57 s ILE 15 CO -0.03 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.11 1r57 n GLY 16 N 4.88 1.26 0.12 6.18 0.00 -1.26 -1.20 105.19 115.18 1r57 n GLY 16 Ca -0.03 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -5.03 1.61 3.32 -1.94 -3.46 116.42 110.93 1r57 h ASP 17 Ca 0.00 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1r57 h ASP 17 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1r57 h ASP 17 CO 0.00 0.02 0.15 -0.62 -1.72 0.00 0.00 179.24 177.07 1r57 s ASP 18 N -4.86 -0.41 0.50 6.45 -1.08 -1.26 -4.99 116.67 111.03 1r57 s ASP 18 Ca 0.08 -0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.09 1r57 s ASP 18 Cb 0.11 0.61 1.34 0.00 -1.46 0.00 0.00 42.92 43.52 1r57 s ASP 18 CO 0.65 -1.06 2.06 -0.33 0.52 0.00 0.00 175.17 177.01 1r57 h GLU 19 N 2.08 0.00 0.00 4.34 4.39 -1.98 0.93 114.58 124.33 1r57 h GLU 19 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1r57 h GLU 19 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1r57 h GLU 19 CO 0.36 0.13 0.00 0.09 -1.16 0.00 0.00 179.01 178.43 1r57 n ASN 20 N -3.85 0.00 -0.59 1.42 3.02 -1.26 -3.19 115.26 110.81 1r57 n ASN 20 Ca -0.02 0.16 0.06 0.00 -0.03 0.00 0.00 54.58 54.75 1r57 n ASN 20 Cb 0.23 -0.38 0.12 0.00 -0.61 0.00 0.00 39.78 39.14 1r57 n ASN 20 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1r57 n ASN 21 N -1.38 1.48 -4.55 6.41 4.13 0.20 -5.00 115.26 116.55 1r57 n ASN 21 Ca 0.10 -2.98 -0.39 0.00 1.68 0.00 0.00 54.58 52.99 1r57 n ASN 21 Cb 0.26 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.07 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 -1.98 2.36 -0.70 5.41 0.00 -0.47 -4.00 121.76 122.38 1r57 s ALA 22 Ca 0.29 -0.94 0.26 0.00 0.00 0.00 0.00 51.96 51.57 1r57 s ALA 22 Cb 0.28 -4.30 0.70 0.00 0.00 0.00 0.00 23.12 19.81 1r57 s ALA 22 CO -0.05 -3.71 1.69 -0.07 0.00 0.00 0.00 175.76 173.62 1r57 h LEU 23 N 15.26 0.00 -6.29 0.00 3.38 -1.48 -3.42 115.31 122.77 1r57 h LEU 23 Ca -0.25 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1r57 h LEU 23 Cb 1.12 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.60 1r57 h LEU 23 CO 1.24 0.02 -0.47 0.00 0.09 0.00 0.00 178.44 179.32 1r57 s ALA 24 N -3.12 -1.43 -0.04 1.53 0.00 -1.11 -2.09 121.76 115.50 1r57 s ALA 24 Ca 0.10 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1r57 s ALA 24 Cb 0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1r57 s ALA 24 CO 0.62 -1.55 -0.20 -1.83 0.00 0.00 0.00 175.76 172.80 1r57 s GLU 25 N 2.62 2.36 -0.05 0.00 1.03 -1.00 -0.05 118.70 123.60 1r57 s GLU 25 Ca 0.12 -0.81 0.02 0.00 0.03 0.00 0.00 54.97 54.33 1r57 s GLU 25 Cb -0.13 -2.23 0.01 0.00 -0.80 0.00 0.00 34.13 30.98 1r57 s GLU 25 CO -0.24 0.57 -0.11 -1.50 -1.33 0.00 0.00 175.26 172.65 1r57 s ILE 26 N -0.61 1.01 -0.12 1.83 2.07 0.64 -1.26 121.20 124.76 1r57 s ILE 26 Ca 0.09 -0.42 -0.07 0.00 -1.41 0.00 0.00 60.65 58.85 1r57 s ILE 26 Cb -0.11 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.52 1r57 s ILE 26 CO 0.00 0.32 0.13 0.42 -1.91 0.00 0.00 174.94 173.90 1r57 s THR 27 N 0.60 5.40 -0.41 4.00 -4.23 -1.02 -1.21 115.64 118.76 1r57 s THR 27 Ca -0.12 0.17 0.11 0.00 -1.18 0.00 0.00 61.69 60.67 1r57 s THR 27 Cb -0.14 -3.35 0.39 0.00 1.34 0.00 0.00 72.50 70.74 1r57 s THR 27 CO 0.03 0.61 0.90 0.00 -0.54 0.00 0.00 174.62 175.62 1r57 n TYR 28 N 2.04 1.80 -2.19 3.99 4.11 -0.98 -3.65 117.16 122.28 1r57 n TYR 28 Ca -0.20 -3.45 -0.32 0.00 -0.00 0.00 0.00 57.90 53.93 1r57 n TYR 28 Cb 0.55 -0.37 -0.01 0.00 -0.00 0.00 0.00 39.34 39.51 1r57 n TYR 28 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1r57 s ARG 29 N -3.03 3.61 -0.42 -3.48 0.52 -0.65 -4.25 118.95 111.24 1r57 s ARG 29 Ca 0.40 1.07 -0.26 0.00 -0.52 0.00 0.00 55.73 56.41 1r57 s ARG 29 Cb 0.37 -2.08 0.02 0.00 0.52 0.00 0.00 34.95 33.79 1r57 s ARG 29 CO -0.08 -0.56 0.98 -0.06 0.02 0.00 0.00 175.30 175.60 1r57 s PHE 30 N -2.58 2.97 -0.54 -0.53 0.40 -1.26 -0.37 117.98 116.07 1r57 s PHE 30 Ca 0.61 0.64 0.24 0.00 -0.60 0.00 0.00 56.93 57.82 1r57 s PHE 30 Cb -0.13 -3.92 0.43 0.00 0.51 0.00 0.00 43.02 39.90 1r57 s PHE 30 CO 0.35 -1.01 1.50 -0.39 0.70 0.00 0.00 175.22 176.37 1r57 h VAL 31 N 5.99 0.00 -1.05 -0.44 -1.51 -1.68 -3.48 116.25 114.09 1r57 h VAL 31 Ca -0.23 -0.72 0.00 0.00 -1.23 0.00 0.00 66.70 64.52 1r57 h VAL 31 Cb 1.07 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1r57 h VAL 31 CO 1.03 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 176.70 1r57 n ASP 32 N -2.54 0.00 0.02 4.19 2.03 -1.13 -5.02 116.55 114.09 1r57 n ASP 32 Ca 0.04 -0.05 -0.19 0.00 0.52 0.00 0.00 54.79 55.11 1r57 n ASP 32 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 1r57 n ASP 32 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1r57 h ASN 33 N 0.00 0.77 0.00 1.67 -0.00 -2.02 -3.37 115.58 112.64 1r57 h ASN 33 Ca 0.00 -0.73 -0.11 0.00 -0.00 0.00 0.00 56.30 55.46 1r57 h ASN 33 Cb 0.00 -0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.06 1r57 h ASN 33 CO 0.00 1.40 -1.61 0.59 -0.00 0.00 0.00 177.43 177.82 1r57 n ASN 34 N -4.00 2.54 -4.52 1.15 3.02 -1.26 -4.93 115.26 107.27 1r57 n ASN 34 Ca -0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 1r57 n ASN 34 Cb 0.79 1.05 -0.04 0.00 -0.61 0.00 0.00 39.78 40.97 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 -2.45 3.26 -0.02 3.52 8.01 -1.26 -0.59 118.70 129.18 1r57 s GLU 35 Ca -0.05 -0.36 -0.08 0.00 0.01 0.00 0.00 54.97 54.50 1r57 s GLU 35 Cb 0.05 -4.13 -0.05 0.00 -4.31 0.00 0.00 34.13 25.69 1r57 s GLU 35 CO 0.42 -1.77 0.26 0.96 0.01 0.00 0.00 175.26 175.14 1r57 s ILE 36 N 4.56 5.30 -0.02 -1.63 -4.36 0.24 -1.68 121.20 123.62 1r57 s ILE 36 Ca 0.31 0.27 0.05 0.00 -0.26 0.00 0.00 60.65 61.01 1r57 s ILE 36 Cb -0.12 -3.55 -0.01 0.00 1.25 0.00 0.00 42.46 40.03 1r57 s ILE 36 CO 0.16 0.44 -0.15 0.54 0.24 0.00 0.00 174.94 176.18 1r57 s ASN 37 N -1.48 1.80 -0.92 4.36 6.03 0.50 -1.12 114.94 124.11 1r57 s ASN 37 Ca 0.25 -0.28 -0.20 0.00 -1.03 0.00 0.00 52.86 51.60 1r57 s ASN 37 Cb -0.13 -0.24 0.11 0.00 -3.03 0.00 0.00 41.25 37.95 1r57 s ASN 37 CO 0.13 0.18 1.17 -0.63 -2.03 0.00 0.00 177.10 175.92 1r57 s ILE 38 N -0.30 4.54 -0.98 0.54 1.09 -0.34 -1.64 121.20 124.11 1r57 s ILE 38 Ca 0.05 -1.30 0.25 0.00 -1.10 0.00 0.00 60.65 58.54 1r57 s ILE 38 Cb -0.07 -4.82 0.01 0.00 -1.06 0.00 0.00 42.46 36.53 1r57 s ILE 38 CO -0.00 -1.58 1.43 -0.90 -0.10 0.00 0.00 174.94 173.78 1r57 n ASP 39 N 7.10 0.49 -3.76 3.58 5.75 -1.24 -0.30 116.55 128.17 1r57 n ASP 39 Ca 0.23 -0.21 -0.12 0.00 -0.01 0.00 0.00 54.79 54.67 1r57 n ASP 39 Cb 0.49 0.22 -0.12 0.00 -1.03 0.00 0.00 41.12 40.68 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 -3.01 -0.32 -0.36 2.11 5.04 -1.26 -4.39 115.29 113.10 1r57 s HIS 40 Ca 0.11 0.77 -0.00 0.00 -1.54 0.00 0.00 55.06 54.39 1r57 s HIS 40 Cb 0.17 0.09 0.13 0.00 0.04 0.00 0.00 32.58 33.01 1r57 s HIS 40 CO 0.70 -0.19 0.19 0.99 -2.34 0.00 0.00 174.74 174.09 1r57 s THR 41 N 0.65 0.52 -0.98 0.89 2.01 -1.26 -2.45 115.64 115.02 1r57 s THR 41 Ca -0.04 -1.73 -0.01 0.00 0.31 0.00 0.00 61.69 60.22 1r57 s THR 41 Cb -0.05 -1.39 0.32 0.00 0.01 0.00 0.00 72.50 71.38 1r57 s THR 41 CO -0.04 -0.88 1.61 0.61 -0.69 0.00 0.00 174.62 175.23 1r57 n GLY 42 N 4.22 5.81 3.50 4.40 0.00 -0.39 -4.99 105.19 117.75 1r57 n GLY 42 Ca 0.06 -2.63 -0.38 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.92 4.85 0.20 1.61 1.01 -1.26 -2.37 120.40 120.52 1r57 s VAL 43 Ca 0.38 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1r57 s VAL 43 Cb 0.16 -3.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1r57 s VAL 43 CO -0.07 0.19 1.24 -0.44 0.00 0.00 0.00 175.10 176.02 1r57 s SER 44 N 1.68 7.01 0.00 3.32 0.01 -0.89 -4.92 113.70 119.91 1r57 s SER 44 Ca 0.06 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.64 1r57 s SER 44 Cb -0.16 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.46 1r57 s SER 44 CO 0.08 -0.43 0.19 -0.67 0.41 0.00 0.00 173.24 172.82 1r57 n ASP 45 N 2.43 0.38 -0.36 2.44 2.03 -1.26 -4.75 116.55 117.46 1r57 n ASP 45 Ca 0.05 -0.81 0.04 0.00 0.52 0.00 0.00 54.79 54.59 1r57 n ASP 45 Cb 0.44 0.13 0.20 0.00 -0.72 0.00 0.00 41.12 41.17 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1r57 h GLU 46 N 0.00 1.07 -0.11 -0.67 3.07 -2.02 -0.26 114.58 115.67 1r57 h GLU 46 Ca 0.00 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.70 1r57 h GLU 46 Cb 0.18 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1r57 h GLU 46 CO 0.00 0.71 -0.38 1.25 -1.40 0.00 0.00 179.01 179.19 1r57 h LEU 47 N 1.11 0.23 -1.08 1.33 5.85 -2.02 -3.47 115.31 117.26 1r57 h LEU 47 Ca 0.45 -0.09 -0.34 0.00 0.84 0.00 0.00 57.88 58.73 1r57 h LEU 47 Cb 0.28 -0.06 0.13 0.00 0.37 0.00 0.00 40.66 41.37 1r57 h LEU 47 CO -0.20 0.60 -0.64 0.61 -0.34 0.00 0.00 178.44 178.48 1r57 n GLY 48 N -0.26 -0.37 3.08 3.75 0.00 -0.11 -4.87 105.19 106.40 1r57 n GLY 48 Ca -0.01 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.67 3.17 3.70 -0.02 0.00 -1.26 -4.34 105.19 104.76 1r57 n GLY 49 Ca -0.06 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 1r57 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r57 n GLN 50 N 7.00 -5.15 -2.62 1.61 3.00 -1.26 -3.52 117.38 116.44 1r57 n GLN 50 Ca 0.50 0.64 -0.03 0.00 -0.01 0.00 0.00 57.00 58.10 1r57 n GLN 50 Cb 0.41 -5.27 0.00 0.00 0.00 0.00 0.00 30.24 25.39 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 -1.56 -1.08 0.15 1.08 0.00 -1.26 -4.72 105.19 97.80 1r57 n GLY 51 Ca -0.26 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 0.86 1.10 -0.10 1.61 2.07 -1.87 0.01 116.25 119.93 1r57 h VAL 52 Ca 0.00 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1r57 h VAL 52 Cb 0.90 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1r57 h VAL 52 CO 0.20 0.10 -0.41 1.23 0.02 0.00 0.00 177.57 178.71 1r57 h GLY 53 N 0.40 0.25 1.45 2.17 0.00 -1.92 -2.84 103.07 102.57 1r57 h GLY 53 Ca 0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1r57 h GLY 53 CO -0.02 0.21 -0.21 1.70 0.00 0.00 0.00 176.54 178.22 1r57 h LYS 54 N 0.19 0.64 -0.16 4.80 3.64 -1.77 0.51 116.57 124.42 1r57 h LYS 54 Ca 0.02 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1r57 h LYS 54 Cb 0.81 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1r57 h LYS 54 CO 0.06 0.81 0.10 -0.22 -2.27 0.00 0.00 179.45 177.93 1r57 h LYS 55 N 0.57 0.22 -0.18 1.90 3.64 -0.78 0.91 116.57 122.85 1r57 h LYS 55 Ca 0.09 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1r57 h LYS 55 Cb 0.67 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1r57 h LYS 55 CO 0.05 0.19 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.34 1r57 h LEU 56 N 0.19 0.32 -1.31 5.20 3.38 -1.32 -2.84 115.31 118.93 1r57 h LEU 56 Ca 0.06 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1r57 h LEU 56 Cb 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1r57 h LEU 56 CO -0.01 0.57 0.42 0.25 0.09 0.00 0.00 178.44 179.76 1r57 h LEU 57 N 0.07 0.78 -0.46 1.67 5.85 -0.81 -2.01 115.31 120.41 1r57 h LEU 57 Ca 0.05 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1r57 h LEU 57 Cb 0.41 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1r57 h LEU 57 CO 0.01 0.58 0.29 0.50 -0.34 0.00 0.00 178.44 179.48 1r57 h LYS 58 N 0.91 0.57 -0.81 1.25 3.64 -0.69 -0.24 116.57 121.20 1r57 h LYS 58 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1r57 h LYS 58 Cb -0.07 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1r57 h LYS 58 CO -0.05 0.38 0.52 0.00 -2.27 0.00 0.00 179.45 178.02 1r57 h ALA 59 N 1.18 1.02 0.14 5.00 0.00 -1.14 0.36 119.26 125.83 1r57 h ALA 59 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1r57 h ALA 59 Cb -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1r57 h ALA 59 CO -0.06 0.45 -0.07 0.28 0.00 0.00 0.00 179.25 179.86 1r57 h VAL 60 N 1.10 0.99 -0.73 0.00 2.07 -1.08 -1.50 116.25 117.09 1r57 h VAL 60 Ca 0.29 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1r57 h VAL 60 Cb -0.10 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1r57 h VAL 60 CO -0.06 0.13 0.41 0.58 0.02 0.00 0.00 177.57 178.66 1r57 h VAL 61 N -0.46 1.22 -0.34 2.57 2.07 -0.82 0.09 116.25 120.58 1r57 h VAL 61 Ca -0.02 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1r57 h VAL 61 Cb 0.37 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1r57 h VAL 61 CO 0.03 0.24 0.10 -0.08 0.02 0.00 0.00 177.57 177.88 1r57 h GLU 62 N 1.01 0.54 -0.13 1.57 4.81 -0.25 0.14 114.58 122.26 1r57 h GLU 62 Ca 0.26 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.18 1r57 h GLU 62 Cb 0.02 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1r57 h GLU 62 CO -0.04 0.58 -0.69 1.25 -0.73 0.00 0.00 179.01 179.37 1r57 h HIS 63 N 0.40 0.74 -0.30 0.92 2.76 -1.12 -2.63 115.15 115.92 1r57 h HIS 63 Ca 0.11 -0.31 -0.07 0.00 -2.20 0.00 0.00 60.37 57.90 1r57 h HIS 63 Cb 0.27 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.09 1r57 h HIS 63 CO 0.01 1.08 -0.13 0.00 -1.30 0.00 0.00 177.93 177.59 1r57 h ALA 64 N 0.84 1.22 -0.46 5.26 0.00 -0.82 -2.20 119.26 123.09 1r57 h ALA 64 Ca -0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1r57 h ALA 64 Cb 1.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1r57 h ALA 64 CO 0.13 0.51 0.15 -0.09 0.00 0.00 0.00 179.25 179.94 1r57 h ARG 65 N 0.48 0.67 0.22 0.00 2.43 -0.52 0.85 114.38 118.51 1r57 h ARG 65 Ca 0.09 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1r57 h ARG 65 Cb 0.51 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1r57 h ARG 65 CO 0.03 0.58 -0.10 0.93 -1.51 0.00 0.00 179.97 179.90 1r57 h GLU 66 N 0.66 -0.28 -0.06 0.20 5.08 -1.05 -3.26 114.58 115.87 1r57 h GLU 66 Ca 0.16 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1r57 h GLU 66 Cb 0.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1r57 h GLU 66 CO -0.01 0.02 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 1r57 n ASN 67 N -5.09 0.86 -2.48 1.42 5.03 -0.89 -4.88 115.26 109.23 1r57 n ASN 67 Ca -0.09 -1.46 -0.17 0.00 0.87 0.00 0.00 54.58 53.73 1r57 n ASN 67 Cb 0.23 -0.04 0.04 0.00 -1.02 0.00 0.00 39.78 38.99 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 -0.26 -5.05 -4.95 6.41 5.03 -0.23 -5.01 115.26 111.22 1r57 n ASN 68 Ca 0.17 -0.29 -0.24 0.00 0.87 0.00 0.00 54.58 55.09 1r57 n ASN 68 Cb 0.22 -3.79 0.06 0.00 -1.02 0.00 0.00 39.78 35.25 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1r57 s LEU 69 N -5.28 2.99 -0.13 3.41 1.43 0.12 -5.03 118.68 116.20 1r57 s LEU 69 Ca 0.31 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1r57 s LEU 69 Cb -0.14 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.05 1r57 s LEU 69 CO 0.39 -1.43 -0.11 -0.54 0.23 0.00 0.00 176.35 174.89 1r57 s LYS 70 N -5.06 3.37 -0.24 1.70 1.02 0.25 -4.76 119.74 116.01 1r57 s LYS 70 Ca 0.59 -0.66 -0.07 0.00 0.02 0.00 0.00 55.97 55.86 1r57 s LYS 70 Cb -0.11 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1r57 s LYS 70 CO 0.42 0.25 0.06 0.42 -0.92 0.00 0.00 175.35 175.58 1r57 s ILE 71 N 0.26 4.23 0.26 2.17 1.01 -0.80 -0.59 121.20 127.74 1r57 s ILE 71 Ca -0.08 -0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.46 1r57 s ILE 71 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.30 1r57 s ILE 71 CO 0.05 0.36 -0.15 0.27 0.00 0.00 0.00 174.94 175.47 1r57 s ILE 72 N 1.52 2.08 -0.05 2.92 -4.36 -0.27 -4.27 121.20 118.76 1r57 s ILE 72 Ca 0.06 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.18 1r57 s ILE 72 Cb -0.15 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.31 1r57 s ILE 72 CO 0.03 -0.43 -0.08 0.00 0.24 0.00 0.00 174.94 174.70 1r57 s ALA 73 N -2.75 0.94 -0.11 2.27 0.00 -1.26 -1.20 121.76 119.65 1r57 s ALA 73 Ca 0.28 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 1r57 s ALA 73 Cb -0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 23.12 22.35 1r57 s ALA 73 CO 0.12 0.04 0.56 1.03 0.00 0.00 0.00 175.76 177.50 1r57 h SER 74 N 7.10 0.32 -2.66 0.00 0.87 -0.98 -3.45 113.55 114.76 1r57 h SER 74 Ca -0.35 -0.84 -0.54 0.00 -1.23 0.00 0.00 61.79 58.84 1r57 h SER 74 Cb 1.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1r57 h SER 74 CO 0.47 1.55 1.04 0.00 -0.53 0.00 0.00 176.83 179.36 1r57 h SER 76 N 9.01 0.02 0.77 0.00 0.87 -1.92 -1.21 113.55 121.10 1r57 h SER 76 Ca -0.40 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 1r57 h SER 76 Cb 1.19 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1r57 h SER 76 CO 0.94 0.10 -0.40 0.15 -0.53 0.00 0.00 176.83 177.09 1r57 h PHE 77 N 0.02 -1.06 -0.52 2.24 3.57 -1.98 0.19 116.94 119.40 1r57 h PHE 77 Ca 0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1r57 h PHE 77 Cb 0.15 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1r57 h PHE 77 CO 0.00 -0.64 0.09 0.00 -2.23 0.00 0.00 178.31 175.53 1r57 h ALA 78 N -0.88 1.18 -0.87 2.41 0.00 -1.88 -1.25 119.26 117.98 1r57 h ALA 78 Ca -0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1r57 h ALA 78 Cb 0.84 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1r57 h ALA 78 CO 0.15 0.55 0.51 -0.22 0.00 0.00 0.00 179.25 180.24 1r57 h LYS 79 N 0.78 1.19 0.00 0.00 3.11 -1.08 -2.02 116.57 118.55 1r57 h LYS 79 Ca 0.17 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1r57 h LYS 79 Cb 0.34 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1r57 h LYS 79 CO 0.00 0.85 -0.14 1.25 -2.81 0.00 0.00 179.45 178.61 1r57 h HIS 80 N 1.20 0.00 -0.19 1.91 2.76 0.06 -2.09 115.15 118.80 1r57 h HIS 80 Ca 0.31 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.35 1r57 h HIS 80 Cb -0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1r57 h HIS 80 CO 0.00 0.14 -0.42 0.52 -1.30 0.00 0.00 177.93 176.87 1r57 h MET 81 N 0.00 0.45 -0.02 5.26 2.86 -0.55 -0.36 114.93 122.57 1r57 h MET 81 Ca -0.00 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.28 1r57 h MET 81 Cb 0.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1r57 h MET 81 CO 0.02 0.79 -0.62 -0.07 1.06 0.00 0.00 176.91 178.09 1r57 h LEU 82 N 0.37 0.08 -0.46 1.22 3.38 -0.90 -2.84 115.31 116.16 1r57 h LEU 82 Ca 0.03 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1r57 h LEU 82 Cb 0.89 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1r57 h LEU 82 CO 0.07 0.68 -0.51 -0.33 0.09 0.00 0.00 178.44 178.44 1r57 h GLU 83 N 0.05 0.70 0.06 1.13 5.08 -1.13 -3.30 114.58 117.17 1r57 h GLU 83 Ca -0.01 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 57.95 1r57 h GLU 83 Cb 1.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1r57 h GLU 83 CO 0.09 1.04 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.77 1r57 h LYS 84 N 0.54 -0.26 -4.95 2.33 3.64 -0.83 -3.42 116.57 113.63 1r57 h LYS 84 Ca 0.02 0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.75 1r57 h LYS 84 Cb 1.07 0.06 -0.31 0.00 -0.41 0.00 0.00 32.23 32.64 1r57 h LYS 84 CO 0.10 -0.17 -0.75 -2.00 -2.27 0.00 0.00 179.45 174.36 1r57 s GLU 85 N -6.14 3.01 0.00 1.90 2.12 -1.12 -4.96 118.70 113.52 1r57 s GLU 85 Ca -0.15 -0.86 0.21 0.00 0.36 0.00 0.00 54.97 54.54 1r57 s GLU 85 Cb 0.08 -2.95 1.28 0.00 0.26 0.00 0.00 34.13 32.80 1r57 s GLU 85 CO 0.66 -0.32 1.67 -0.25 -0.54 0.00 0.00 175.26 176.48 1r57 n ASP 86 N 4.70 0.00 -0.07 -1.70 9.92 -1.26 -2.51 116.55 125.63 1r57 n ASP 86 Ca -0.17 -0.76 0.15 0.00 -0.53 0.00 0.00 54.79 53.47 1r57 n ASP 86 Cb 0.49 0.00 0.69 0.00 -0.64 0.00 0.00 41.12 41.66 1r57 n ASP 86 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1r57 n SER 87 N -0.97 0.29 -1.17 -2.24 2.88 -1.26 -2.78 113.62 108.37 1r57 n SER 87 Ca 0.16 -0.49 0.10 0.00 -1.33 0.00 0.00 58.87 57.31 1r57 n SER 87 Cb 0.07 -0.13 0.27 0.00 -0.75 0.00 0.00 64.21 63.67 1r57 n SER 87 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1r57 n TYR 88 N -1.05 0.79 1.75 0.66 4.01 -1.04 -4.53 117.16 117.75 1r57 n TYR 88 Ca 0.15 -0.45 0.11 0.00 -0.16 0.00 0.00 57.90 57.55 1r57 n TYR 88 Cb 0.25 -0.01 0.67 0.00 -0.31 0.00 0.00 39.34 39.94 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 1.38 0.88 0.27 -0.72 7.27 -1.12 -2.43 117.38 122.91 1r57 n GLN 89 Ca 0.21 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 57.15 1r57 n GLN 89 Cb 0.58 -1.40 -0.07 0.00 2.41 0.00 0.00 30.24 31.76 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 -0.61 -0.02 1.69 3.32 -1.84 -3.33 116.42 115.62 1r57 h ASP 90 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1r57 h ASP 90 Cb 0.00 0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1r57 h ASP 90 CO 0.00 -0.23 -0.34 1.33 -1.72 0.00 0.00 179.24 178.28 1r57 n VAL 91 N -5.28 0.00 -2.79 -1.35 0.24 -1.22 -4.84 118.33 103.09 1r57 n VAL 91 Ca -0.10 -0.33 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 1r57 n VAL 91 Cb 0.32 1.33 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 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 -2.33 3.07 0.33 6.34 5.04 -1.02 -1.90 117.35 126.87 1r57 s TYR 92 Ca 0.21 0.78 0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1r57 s TYR 92 Cb 0.19 -3.70 0.58 0.00 0.35 0.00 0.00 41.96 39.38 1r57 s TYR 92 CO 0.49 -0.85 1.83 -0.07 -1.34 0.00 0.00 175.55 175.61 1r57 h LEU 93 N 10.14 0.41 0.00 6.97 3.38 -1.87 -3.44 115.31 130.90 1r57 h LEU 93 Ca -0.23 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1r57 h LEU 93 Cb 1.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1r57 h LEU 93 CO 0.99 0.57 0.00 0.61 0.09 0.00 0.00 178.44 180.71 1r57 n GLY 94 N -0.69 -2.21 0.23 0.83 0.00 -1.26 -4.98 105.19 97.11 1r57 n GLY 94 Ca 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.60 1.37 -3.46 0.99 4.77 -1.26 -4.95 117.00 112.87 1r57 n LEU 95 Ca 0.00 0.23 -0.27 0.00 -0.03 0.00 0.00 56.01 55.93 1r57 n LEU 95 Cb 0.00 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1r57 n LEU 95 CO 0.00 -0.39 -0.30 -0.70 -1.33 0.00 0.00 177.39 174.67 1r57 s GLU 96 N -2.33 0.51 -0.19 3.23 -6.30 -1.26 -5.10 118.70 107.26 1r57 s GLU 96 Ca -0.18 -1.16 -0.29 0.00 -2.50 0.00 0.00 54.97 50.84 1r57 s GLU 96 Cb 0.03 -1.20 -0.05 0.00 0.00 0.00 0.00 34.13 32.91 1r57 s GLU 96 CO 0.27 -1.18 1.99 -3.38 0.02 0.00 0.00 175.26 172.98 1r57 s HIS 97 N 1.26 1.46 -0.24 5.30 -3.43 -1.26 -4.94 115.29 113.44 1r57 s HIS 97 Ca 0.17 0.36 -0.02 0.00 -0.80 0.00 0.00 55.06 54.76 1r57 s HIS 97 Cb -0.21 -4.03 0.13 0.00 -1.43 0.00 0.00 32.58 27.03 1r57 s HIS 97 CO -0.04 -3.98 0.35 -1.58 -2.00 0.00 0.00 174.74 167.48 1r57 s HIS 98 N 6.75 -0.72 0.00 0.38 2.46 -1.26 -5.04 115.29 117.86 1r57 s HIS 98 Ca 0.89 0.60 0.00 0.00 0.47 0.00 0.00 55.06 57.02 1r57 s HIS 98 Cb -0.32 -0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.03 1r57 s HIS 98 CO 0.35 -0.74 0.00 0.72 -2.47 0.00 0.00 174.74 172.60 1r57 n HIS 99 N 5.35 0.00 -0.05 3.88 8.25 -1.26 -5.07 115.22 126.32 1r57 n HIS 99 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1r57 n HIS 99 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1r57 n HIS 99 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r57 n HIS 100 N -0.93 0.00 0.00 4.41 -0.00 -1.26 -5.04 115.22 112.40 1r57 n HIS 100 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1r57 n HIS 100 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 1r57 n HIS 100 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r57 n HIS 101 N 0.00 0.00 -1.18 1.57 8.25 -1.26 -5.35 115.22 117.25 1r57 n HIS 101 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1r57 n HIS 101 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1r57 n HIS 101 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56