#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 6.60 -0.75 7.83 0.01 -1.26 -4.97 113.70 121.16 1r57 s SER 2 Ca 0.00 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.38 1r57 s SER 2 Cb 0.00 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1r57 s SER 2 CO 0.00 -1.16 1.37 0.54 0.41 0.00 0.00 173.24 174.40 1r57 s ASN 3 N 2.35 6.07 -1.35 2.44 4.22 -1.26 -4.91 114.94 122.50 1r57 s ASN 3 Ca 0.44 -0.45 -0.13 0.00 -2.14 0.00 0.00 52.86 50.59 1r57 s ASN 3 Cb -0.08 -2.56 0.11 0.00 1.28 0.00 0.00 41.25 39.99 1r57 s ASN 3 CO 0.29 -1.89 1.96 0.18 -2.04 0.00 0.00 177.10 175.60 1r57 n LEU 4 N 9.80 6.42 -4.65 3.54 4.77 -1.26 -4.94 117.00 130.67 1r57 n LEU 4 Ca 0.08 -4.35 -0.35 0.00 -0.03 0.00 0.00 56.01 51.37 1r57 n LEU 4 Cb 0.50 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.90 1r57 n LEU 4 CO 0.70 1.08 -0.23 -0.70 -1.33 0.00 0.00 177.39 176.91 1r57 s GLU 5 N 2.04 4.02 -0.16 3.23 -6.30 -1.26 -5.01 118.70 115.27 1r57 s GLU 5 Ca 0.44 -0.32 -0.29 0.00 -2.50 0.00 0.00 54.97 52.31 1r57 s GLU 5 Cb 0.10 -3.27 -0.05 0.00 0.00 0.00 0.00 34.13 30.90 1r57 s GLU 5 CO -0.03 0.27 2.04 0.42 0.02 0.00 0.00 175.26 177.98 1r57 s ILE 6 N 0.39 3.14 -0.39 -3.70 1.01 -1.26 -4.70 121.20 115.69 1r57 s ILE 6 Ca 0.04 0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.63 1r57 s ILE 6 Cb -0.12 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1r57 s ILE 6 CO -0.00 -0.08 0.72 -0.54 0.00 0.00 0.00 174.94 175.04 1r57 s LYS 7 N 5.55 3.57 -0.24 2.79 -0.14 -0.20 -4.98 119.74 126.08 1r57 s LYS 7 Ca 0.92 0.02 -0.23 0.00 -1.36 0.00 0.00 55.97 55.31 1r57 s LYS 7 Cb -0.34 -3.86 -0.01 0.00 -1.68 0.00 0.00 37.83 31.94 1r57 s LYS 7 CO 0.36 -0.91 0.77 -1.14 -0.76 0.00 0.00 175.35 173.67 1r57 s GLN 8 N 2.98 4.16 0.45 1.68 0.74 -1.26 -1.95 119.66 126.47 1r57 s GLN 8 Ca 0.27 0.82 0.06 0.00 0.05 0.00 0.00 55.36 56.56 1r57 s GLN 8 Cb -0.13 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 1r57 s GLN 8 CO 0.18 -0.48 0.13 0.20 -0.55 0.00 0.00 175.29 174.77 1r57 s GLY 9 N 1.38 2.54 -0.46 2.59 0.00 0.11 -5.02 107.32 108.45 1r57 s GLY 9 Ca 0.32 -1.63 -0.26 0.00 0.00 0.00 0.00 44.72 43.14 1r57 s GLY 9 CO 0.08 -2.03 2.33 -0.54 0.00 0.00 0.00 173.10 172.94 1r57 s GLU 10 N -3.91 2.29 -1.59 2.90 8.01 -1.26 -1.79 118.70 123.35 1r57 s GLU 10 Ca 0.30 1.43 0.00 0.00 0.01 0.00 0.00 54.97 56.71 1r57 s GLU 10 Cb 0.04 -4.54 0.00 0.00 -4.31 0.00 0.00 34.13 25.32 1r57 s GLU 10 CO 0.17 -3.07 0.00 0.09 0.01 0.00 0.00 175.26 172.46 1r57 n ASN 11 N 15.05 -4.80 -3.63 -0.19 4.13 -1.26 -4.96 115.26 119.59 1r57 n ASN 11 Ca 0.34 0.36 -0.18 0.00 1.68 0.00 0.00 54.58 56.78 1r57 n ASN 11 Cb 0.53 -3.64 -0.15 0.00 -1.54 0.00 0.00 39.78 34.98 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 -3.32 0.06 -0.38 3.52 -2.85 -0.74 -1.49 119.74 114.54 1r57 s LYS 12 Ca 0.00 0.43 -0.13 0.00 -1.00 0.00 0.00 55.97 55.27 1r57 s LYS 12 Cb 0.00 -0.60 0.01 0.00 -2.06 0.00 0.00 37.83 35.18 1r57 s LYS 12 CO 0.00 -0.41 0.26 -0.06 0.10 0.00 0.00 175.35 175.24 1r57 s PHE 13 N 2.28 3.23 0.07 1.78 0.08 0.01 0.05 117.98 125.49 1r57 s PHE 13 Ca 0.04 -0.59 0.07 0.00 0.12 0.00 0.00 56.93 56.57 1r57 s PHE 13 Cb -0.13 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.77 1r57 s PHE 13 CO -0.07 -0.54 -0.20 1.52 -0.10 0.00 0.00 175.22 175.83 1r57 s TYR 14 N 1.66 1.70 -0.13 0.36 1.13 -0.82 -0.27 117.35 120.98 1r57 s TYR 14 Ca 0.05 -0.39 0.01 0.00 -1.41 0.00 0.00 57.07 55.32 1r57 s TYR 14 Cb -0.19 -0.98 0.02 0.00 -1.10 0.00 0.00 41.96 39.72 1r57 s TYR 14 CO 0.09 0.13 -0.13 0.42 -2.51 0.00 0.00 175.55 173.54 1r57 s ILE 15 N -0.97 1.44 -2.91 -3.49 1.01 0.75 -1.04 121.20 115.99 1r57 s ILE 15 Ca 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1r57 s ILE 15 Cb -0.09 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1r57 s ILE 15 CO 0.03 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1r57 n GLY 16 N 4.62 -1.87 0.11 6.18 0.00 -1.26 -0.96 105.19 112.00 1r57 n GLY 16 Ca -0.17 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.71 1r57 n GLY 16 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1r57 h ASP 17 N 0.00 0.00 -4.38 1.61 2.03 -1.98 -3.46 116.42 110.24 1r57 h ASP 17 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 1r57 h ASP 17 Cb 0.00 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 38.26 1r57 h ASP 17 CO 0.00 0.56 -0.61 -0.62 -1.03 0.00 0.00 179.24 177.55 1r57 s ASP 18 N -6.03 0.03 0.38 4.15 -1.08 -1.26 -5.04 116.67 107.81 1r57 s ASP 18 Ca -0.00 -0.10 0.09 0.00 -0.52 0.00 0.00 52.55 52.02 1r57 s ASP 18 Cb 0.08 0.16 0.77 0.00 -1.46 0.00 0.00 42.92 42.48 1r57 s ASP 18 CO 0.79 -0.18 1.91 -0.08 0.52 0.00 0.00 175.17 178.12 1r57 h GLU 19 N 5.23 0.24 -0.27 4.34 4.81 -1.99 -1.47 114.58 125.47 1r57 h GLU 19 Ca -0.28 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.80 1r57 h GLU 19 Cb 1.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1r57 h GLU 19 CO 0.43 0.38 -0.23 -0.97 -0.73 0.00 0.00 179.01 177.90 1r57 h ASN 20 N 0.23 0.51 -1.08 1.04 -0.00 -2.01 -3.22 115.58 111.05 1r57 h ASN 20 Ca 0.05 -0.17 -0.52 0.00 -0.00 0.00 0.00 56.30 55.66 1r57 h ASN 20 Cb 0.39 -0.14 -0.42 0.00 -0.00 0.00 0.00 38.32 38.15 1r57 h ASN 20 CO 0.02 0.74 -0.84 -0.46 -0.00 0.00 0.00 177.43 176.89 1r57 n ASN 21 N -4.13 4.23 -4.77 1.15 0.23 -0.92 -5.06 115.26 105.99 1r57 n ASN 21 Ca -0.00 -3.50 -0.38 0.00 -0.53 0.00 0.00 54.58 50.17 1r57 n ASN 21 Cb 0.39 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1r57 s ALA 22 N -3.55 3.09 -0.04 -2.53 0.00 -0.60 -4.62 121.76 113.52 1r57 s ALA 22 Ca 0.45 1.14 0.12 0.00 0.00 0.00 0.00 51.96 53.68 1r57 s ALA 22 Cb 0.40 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1r57 s ALA 22 CO -0.07 -0.84 1.40 -0.07 0.00 0.00 0.00 175.76 176.18 1r57 h LEU 23 N 2.29 0.00 -7.14 0.00 3.38 -1.37 -3.45 115.31 109.02 1r57 h LEU 23 Ca -0.50 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1r57 h LEU 23 Cb 1.25 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.76 1r57 h LEU 23 CO 0.61 0.67 -0.18 0.00 0.09 0.00 0.00 178.44 179.64 1r57 s ALA 24 N -2.90 -1.36 -0.01 1.53 0.00 -1.11 -0.32 121.76 117.59 1r57 s ALA 24 Ca 0.03 1.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.82 1r57 s ALA 24 Cb 0.09 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 1r57 s ALA 24 CO 0.77 -0.31 0.04 -1.83 0.00 0.00 0.00 175.76 174.44 1r57 s GLU 25 N 1.44 0.19 -0.08 0.00 1.03 -0.49 -0.17 118.70 120.62 1r57 s GLU 25 Ca -0.09 -0.19 0.01 0.00 0.03 0.00 0.00 54.97 54.73 1r57 s GLU 25 Cb -0.07 0.08 0.02 0.00 -0.80 0.00 0.00 34.13 33.36 1r57 s GLU 25 CO -0.15 -0.03 -0.07 -1.50 -1.33 0.00 0.00 175.26 172.18 1r57 s ILE 26 N -0.60 0.85 -0.05 1.83 2.07 0.63 -1.39 121.20 124.55 1r57 s ILE 26 Ca -0.07 -0.25 0.04 0.00 -1.41 0.00 0.00 60.65 58.96 1r57 s ILE 26 Cb -0.04 -0.85 -0.02 0.00 0.13 0.00 0.00 42.46 41.67 1r57 s ILE 26 CO -0.00 0.31 -0.16 0.42 -1.91 0.00 0.00 174.94 173.60 1r57 s THR 27 N 1.21 2.87 -0.11 4.00 -4.23 -0.19 -0.81 115.64 118.38 1r57 s THR 27 Ca -0.05 -0.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 1r57 s THR 27 Cb -0.14 -2.11 0.01 0.00 1.34 0.00 0.00 72.50 71.60 1r57 s THR 27 CO -0.02 0.58 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.76 1r57 s TYR 28 N -0.62 2.07 -0.13 3.99 1.13 -0.56 -2.41 117.35 120.83 1r57 s TYR 28 Ca 0.09 -0.98 -0.03 0.00 -1.41 0.00 0.00 57.07 54.74 1r57 s TYR 28 Cb -0.11 -1.48 -0.03 0.00 -1.10 0.00 0.00 41.96 39.24 1r57 s TYR 28 CO 0.01 -0.49 -0.04 1.03 -2.51 0.00 0.00 175.55 173.54 1r57 s ARG 29 N 0.94 3.46 -0.71 -3.49 0.52 0.45 -4.78 118.95 115.35 1r57 s ARG 29 Ca -0.07 -0.52 -0.27 0.00 -0.52 0.00 0.00 55.73 54.35 1r57 s ARG 29 Cb -0.15 -2.84 0.02 0.00 0.52 0.00 0.00 34.95 32.50 1r57 s ARG 29 CO -0.01 0.34 1.37 -0.06 0.02 0.00 0.00 175.30 176.96 1r57 s PHE 30 N 0.07 2.19 -0.18 -0.53 0.40 -1.26 0.15 117.98 118.82 1r57 s PHE 30 Ca -0.01 0.11 -0.05 0.00 -0.60 0.00 0.00 56.93 56.38 1r57 s PHE 30 Cb -0.14 -4.54 -0.22 0.00 0.51 0.00 0.00 43.02 38.64 1r57 s PHE 30 CO 0.03 -2.10 0.13 1.33 0.70 0.00 0.00 175.22 175.30 1r57 n VAL 31 N 6.53 1.66 0.00 -0.44 0.24 -1.00 -4.91 118.33 120.41 1r57 n VAL 31 Ca 0.06 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1r57 n VAL 31 Cb 0.49 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 1r57 n VAL 31 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1r57 n ASP 32 N -3.48 0.00 0.00 -1.34 -0.08 -1.25 -5.07 116.55 105.33 1r57 n ASP 32 Ca -0.38 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1r57 n ASP 32 Cb 1.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.46 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 -0.73 0.00 -1.13 1.67 5.03 -1.26 -4.89 115.26 113.94 1r57 n ASN 33 Ca 0.00 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.53 1r57 n ASN 33 Cb 0.00 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 39.05 1r57 n ASN 33 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1r57 n ASN 34 N 0.00 4.23 -4.59 6.41 6.94 -1.26 -4.94 115.26 122.06 1r57 n ASN 34 Ca 0.00 -2.81 -0.42 0.00 -0.02 0.00 0.00 54.58 51.33 1r57 n ASN 34 Cb 0.00 -0.54 -0.06 0.00 -2.36 0.00 0.00 39.78 36.82 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 -2.48 3.82 -0.23 -3.83 2.02 -1.26 -2.80 118.70 113.93 1r57 s GLU 35 Ca 0.43 0.27 -0.09 0.00 0.02 0.00 0.00 54.97 55.60 1r57 s GLU 35 Cb 0.33 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1r57 s GLU 35 CO 0.13 -0.68 0.11 0.96 0.02 0.00 0.00 175.26 175.80 1r57 s ILE 36 N 2.76 4.87 -0.40 -1.63 -4.36 0.10 -2.38 121.20 120.17 1r57 s ILE 36 Ca 0.27 0.01 -0.19 0.00 -0.26 0.00 0.00 60.65 60.48 1r57 s ILE 36 Cb -0.14 -3.26 0.01 0.00 1.25 0.00 0.00 42.46 40.32 1r57 s ILE 36 CO 0.14 0.36 0.54 0.21 0.24 0.00 0.00 174.94 176.42 1r57 s ASN 37 N 1.17 6.29 -0.81 4.36 3.04 0.12 -1.09 114.94 128.02 1r57 s ASN 37 Ca 0.06 -0.31 -0.25 0.00 0.04 0.00 0.00 52.86 52.39 1r57 s ASN 37 Cb -0.14 -2.28 0.00 0.00 -1.54 0.00 0.00 41.25 37.30 1r57 s ASN 37 CO 0.04 -0.62 1.64 -0.63 -3.04 0.00 0.00 177.10 174.50 1r57 s ILE 38 N 2.48 3.60 0.02 -5.21 1.01 0.14 -0.41 121.20 122.83 1r57 s ILE 38 Ca 0.18 -0.11 0.10 0.00 0.00 0.00 0.00 60.65 60.82 1r57 s ILE 38 Cb -0.15 -4.46 -0.21 0.00 0.01 0.00 0.00 42.46 37.65 1r57 s ILE 38 CO 0.15 -1.40 0.96 -0.78 0.00 0.00 0.00 174.94 173.88 1r57 h ASP 39 N 11.61 0.00 -3.59 3.58 3.58 -1.77 -1.32 116.42 128.52 1r57 h ASP 39 Ca -0.07 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.15 1r57 h ASP 39 Cb 1.06 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.81 1r57 h ASP 39 CO 1.28 0.96 -0.62 -2.28 -2.88 0.00 0.00 179.24 175.70 1r57 s HIS 40 N -2.67 -0.11 -0.25 0.28 2.46 -1.26 -3.88 115.29 109.87 1r57 s HIS 40 Ca -0.02 0.33 -0.03 0.00 0.47 0.00 0.00 55.06 55.82 1r57 s HIS 40 Cb 0.09 -0.06 0.11 0.00 -0.13 0.00 0.00 32.58 32.59 1r57 s HIS 40 CO 0.82 -0.11 0.23 0.99 -2.47 0.00 0.00 174.74 174.20 1r57 s THR 41 N 0.68 -0.31 -0.04 0.89 2.01 -1.26 -1.02 115.64 116.61 1r57 s THR 41 Ca -0.05 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1r57 s THR 41 Cb -0.07 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1r57 s THR 41 CO -0.03 -0.38 -0.25 -0.83 -0.69 0.00 0.00 174.62 172.44 1r57 s GLY 42 N 2.30 1.30 -0.08 4.40 0.00 -0.48 -4.77 107.32 109.98 1r57 s GLY 42 Ca 0.08 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 1r57 s GLY 42 CO -0.23 -0.81 -0.02 0.14 0.00 0.00 0.00 173.10 172.17 1r57 s VAL 43 N -0.45 0.55 0.12 1.40 1.01 -1.26 -1.39 120.40 120.38 1r57 s VAL 43 Ca 0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1r57 s VAL 43 Cb -0.11 -0.66 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 1r57 s VAL 43 CO 0.01 0.28 1.67 -0.44 0.00 0.00 0.00 175.10 176.62 1r57 s SER 44 N 1.76 6.54 -1.18 3.32 0.01 0.56 -4.89 113.70 119.82 1r57 s SER 44 Ca 0.03 2.62 -0.03 0.00 1.31 0.00 0.00 55.95 59.87 1r57 s SER 44 Cb -0.13 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.74 1r57 s SER 44 CO -0.05 -0.90 2.10 -0.67 0.41 0.00 0.00 173.24 174.13 1r57 n ASP 45 N 4.95 7.62 -1.72 2.44 2.03 -1.26 -3.56 116.55 127.04 1r57 n ASP 45 Ca 0.16 -3.40 -0.18 0.00 0.52 0.00 0.00 54.79 51.89 1r57 n ASP 45 Cb 0.39 -1.28 0.09 0.00 -0.72 0.00 0.00 41.12 39.60 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r57 n GLU 46 N 0.97 2.84 -2.33 -0.67 4.71 -1.26 -4.90 120.64 120.00 1r57 n GLU 46 Ca 0.54 -3.72 -0.04 0.00 -0.01 0.00 0.00 57.16 53.93 1r57 n GLU 46 Cb 0.26 -2.10 0.00 0.00 -1.01 0.00 0.00 31.44 28.59 1r57 n GLU 46 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1r57 n LEU 47 N -0.88 -5.42 -3.30 -4.62 0.00 -1.26 -4.87 117.00 96.65 1r57 n LEU 47 Ca 0.42 0.25 -0.34 0.00 0.00 0.00 0.00 56.01 56.34 1r57 n LEU 47 Cb 0.91 -2.43 -0.02 0.00 0.00 0.00 0.00 43.42 41.87 1r57 n LEU 47 CO 0.37 -1.26 3.01 0.61 0.00 0.00 0.00 177.39 180.12 1r57 n GLY 48 N -0.61 3.86 3.56 -3.96 0.00 -1.23 -4.53 105.19 102.28 1r57 n GLY 48 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 3.69 2.39 5.20 -0.02 0.00 -1.26 -4.26 105.19 110.93 1r57 n GLY 49 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -1.96 0.00 0.00 1.61 -0.06 -1.26 -3.85 117.38 111.85 1r57 n GLN 50 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 57.00 55.14 1r57 n GLN 50 Cb 0.00 0.00 0.74 0.00 -4.06 0.00 0.00 30.24 26.92 1r57 n GLN 50 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1r57 n GLY 51 N 0.00 -1.15 0.51 1.69 0.00 -1.26 -3.89 105.19 101.09 1r57 n GLY 51 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1r57 n GLY 51 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r57 h VAL 52 N 0.00 0.02 -0.73 1.61 2.07 -1.74 -0.53 116.25 116.96 1r57 h VAL 52 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1r57 h VAL 52 Cb 0.21 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1r57 h VAL 52 CO 0.00 0.00 0.32 1.23 0.02 0.00 0.00 177.57 179.14 1r57 h GLY 53 N -1.10 1.13 1.01 2.17 0.00 -1.81 -1.27 103.07 103.21 1r57 h GLY 53 Ca -0.08 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1r57 h GLY 53 CO 0.02 0.55 0.21 1.70 0.00 0.00 0.00 176.54 179.01 1r57 h LYS 54 N 1.04 0.96 -0.12 4.80 1.63 -1.71 -1.54 116.57 121.63 1r57 h LYS 54 Ca 0.25 -0.20 -0.15 0.00 -0.85 0.00 0.00 60.65 59.70 1r57 h LYS 54 Cb 0.15 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 1r57 h LYS 54 CO -0.03 0.84 -0.56 -0.22 -3.45 0.00 0.00 179.45 176.03 1r57 h LYS 55 N 0.88 0.35 0.21 1.90 3.64 -0.74 -1.22 116.57 121.60 1r57 h LYS 55 Ca 0.20 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1r57 h LYS 55 Cb 0.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1r57 h LYS 55 CO -0.01 0.82 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.82 1r57 h LEU 56 N 0.27 -0.24 -1.07 5.20 3.38 -0.90 -1.54 115.31 120.41 1r57 h LEU 56 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1r57 h LEU 56 Cb 1.07 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1r57 h LEU 56 CO 0.09 -0.07 0.42 -0.07 0.09 0.00 0.00 178.44 178.90 1r57 h LEU 57 N -0.40 0.95 -0.48 1.67 4.07 -1.26 -1.92 115.31 117.94 1r57 h LEU 57 Ca -0.03 -0.08 0.05 0.00 0.08 0.00 0.00 57.88 57.90 1r57 h LEU 57 Cb 0.31 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1r57 h LEU 57 CO 0.05 0.76 0.23 0.50 -1.08 0.00 0.00 178.44 178.90 1r57 h LYS 58 N 1.07 0.43 -0.52 1.13 3.64 -1.03 0.30 116.57 121.59 1r57 h LYS 58 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1r57 h LYS 58 Cb 0.03 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1r57 h LYS 58 CO -0.04 0.29 0.14 0.00 -2.27 0.00 0.00 179.45 177.57 1r57 h ALA 59 N 1.28 0.68 0.20 5.00 0.00 -0.77 0.86 119.26 126.52 1r57 h ALA 59 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1r57 h ALA 59 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r57 h ALA 59 CO -0.17 0.36 -0.10 0.28 0.00 0.00 0.00 179.25 179.63 1r57 h VAL 60 N 0.72 0.84 -0.69 0.00 2.07 -0.91 0.14 116.25 118.43 1r57 h VAL 60 Ca 0.17 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1r57 h VAL 60 Cb 0.31 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1r57 h VAL 60 CO -0.00 0.05 0.14 0.58 0.02 0.00 0.00 177.57 178.36 1r57 h VAL 61 N -0.37 1.26 -0.23 2.57 2.07 -0.87 0.19 116.25 120.88 1r57 h VAL 61 Ca -0.03 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1r57 h VAL 61 Cb 0.28 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1r57 h VAL 61 CO 0.05 0.38 0.09 -0.08 0.02 0.00 0.00 177.57 178.02 1r57 h GLU 62 N 1.05 0.35 -0.02 1.57 4.81 -0.76 0.13 114.58 121.71 1r57 h GLU 62 Ca 0.21 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1r57 h GLU 62 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1r57 h GLU 62 CO 0.01 0.41 -0.33 1.25 -0.73 0.00 0.00 179.01 179.62 1r57 h HIS 63 N 0.21 0.04 0.04 0.92 2.76 -0.74 0.49 115.15 118.87 1r57 h HIS 63 Ca 0.08 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1r57 h HIS 63 Cb 0.20 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1r57 h HIS 63 CO -0.01 0.36 -0.02 0.00 -1.30 0.00 0.00 177.93 176.97 1r57 h ALA 64 N 1.64 -0.05 -0.78 5.26 0.00 -0.12 -2.74 119.26 122.46 1r57 h ALA 64 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1r57 h ALA 64 Cb 0.60 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1r57 h ALA 64 CO 0.04 -0.39 0.42 -0.09 0.00 0.00 0.00 179.25 179.24 1r57 h ARG 65 N -0.33 1.09 -0.66 0.00 1.12 -0.43 0.48 114.38 115.66 1r57 h ARG 65 Ca -0.01 -0.12 0.11 0.00 -1.11 0.00 0.00 59.98 58.85 1r57 h ARG 65 Cb 0.30 -0.21 -0.08 0.00 -0.01 0.00 0.00 29.97 29.97 1r57 h ARG 65 CO 0.01 0.80 0.23 1.49 -3.11 0.00 0.00 179.97 179.39 1r57 h GLU 66 N 1.09 0.38 -0.26 0.20 4.81 -0.80 -2.65 114.58 117.35 1r57 h GLU 66 Ca 0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1r57 h GLU 66 Cb 0.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1r57 h GLU 66 CO -0.04 0.25 0.00 0.09 -0.73 0.00 0.00 179.01 178.58 1r57 n ASN 67 N -5.03 2.70 -3.43 1.04 3.02 -1.03 -4.99 115.26 107.53 1r57 n ASN 67 Ca 0.11 -1.83 -0.17 0.00 -0.03 0.00 0.00 54.58 52.65 1r57 n ASN 67 Cb 0.33 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.66 -6.29 -4.90 6.41 2.85 0.13 -4.99 115.26 109.13 1r57 n ASN 68 Ca 0.11 -0.63 -0.31 0.00 -0.11 0.00 0.00 54.58 53.64 1r57 n ASN 68 Cb 0.40 -3.95 -0.04 0.00 1.24 0.00 0.00 39.78 37.43 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1r57 s LEU 69 N -5.15 4.23 -0.32 1.20 1.43 0.10 -5.00 118.68 115.17 1r57 s LEU 69 Ca 0.21 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1r57 s LEU 69 Cb -0.06 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1r57 s LEU 69 CO 0.81 0.00 0.20 -0.54 0.23 0.00 0.00 176.35 177.06 1r57 s LYS 70 N -2.84 3.45 -0.17 1.70 1.02 -1.12 -4.79 119.74 116.98 1r57 s LYS 70 Ca 0.42 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 1r57 s LYS 70 Cb -0.12 -3.69 -0.05 0.00 -0.52 0.00 0.00 37.83 33.45 1r57 s LYS 70 CO 0.25 -0.42 0.17 0.42 -0.92 0.00 0.00 175.35 174.86 1r57 s ILE 71 N 1.68 5.40 0.02 2.17 1.01 0.42 0.02 121.20 131.91 1r57 s ILE 71 Ca 0.05 0.28 0.03 0.00 0.00 0.00 0.00 60.65 61.01 1r57 s ILE 71 Cb -0.17 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1r57 s ILE 71 CO 0.09 0.46 -0.08 0.27 0.00 0.00 0.00 174.94 175.67 1r57 s ILE 72 N 0.12 0.64 0.01 2.92 -4.36 -0.25 -0.82 121.20 119.47 1r57 s ILE 72 Ca 0.11 -0.68 0.08 0.00 -0.26 0.00 0.00 60.65 59.90 1r57 s ILE 72 Cb -0.12 -0.60 -0.02 0.00 1.25 0.00 0.00 42.46 42.97 1r57 s ILE 72 CO 0.01 -0.05 -0.23 0.00 0.24 0.00 0.00 174.94 174.90 1r57 s ALA 73 N -0.69 1.93 -0.20 2.27 0.00 -1.26 0.27 121.76 124.08 1r57 s ALA 73 Ca -0.02 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1r57 s ALA 73 Cb -0.06 -0.44 -0.15 0.00 0.00 0.00 0.00 23.12 22.47 1r57 s ALA 73 CO 0.00 0.46 -0.14 -1.13 0.00 0.00 0.00 175.76 174.95 1r57 n SER 74 N 2.16 2.12 -4.66 0.00 3.41 -0.50 -4.87 113.62 111.29 1r57 n SER 74 Ca -0.16 -0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 57.93 1r57 n SER 74 Cb 0.52 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 1r57 n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r57 h SER 76 N 10.36 0.79 0.46 0.00 0.87 -1.95 0.26 113.55 124.35 1r57 h SER 76 Ca -0.45 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1r57 h SER 76 Cb 1.21 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1r57 h SER 76 CO 0.95 0.51 -0.34 0.15 -0.53 0.00 0.00 176.83 177.57 1r57 h PHE 77 N 0.93 -0.90 -0.31 2.24 3.57 -1.94 -1.18 116.94 119.34 1r57 h PHE 77 Ca 0.36 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.77 1r57 h PHE 77 Cb 0.15 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1r57 h PHE 77 CO -0.04 -0.50 -0.17 0.00 -2.23 0.00 0.00 178.31 175.37 1r57 h ALA 78 N -0.36 1.13 -0.09 2.41 0.00 -1.80 -2.77 119.26 117.79 1r57 h ALA 78 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r57 h ALA 78 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1r57 h ALA 78 CO 0.01 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.54 1r57 h LYS 79 N 0.51 -0.04 0.00 0.00 3.64 -0.19 -1.64 116.57 118.86 1r57 h LYS 79 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1r57 h LYS 79 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1r57 h LYS 79 CO 0.04 -0.03 0.00 0.45 -2.27 0.00 0.00 179.45 177.64 1r57 h HIS 80 N -0.04 0.00 -0.13 1.91 3.86 -1.09 0.14 115.15 119.81 1r57 h HIS 80 Ca 0.05 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 1r57 h HIS 80 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 1r57 h HIS 80 CO -0.16 0.00 -0.37 0.52 0.86 0.00 0.00 177.93 178.78 1r57 h MET 81 N 0.00 0.47 -0.06 2.45 2.86 -1.03 -1.26 114.93 118.36 1r57 h MET 81 Ca 0.00 -0.34 -0.25 0.00 -2.06 0.00 0.00 59.70 57.05 1r57 h MET 81 Cb 0.44 0.06 0.02 0.00 0.06 0.00 0.00 31.60 32.17 1r57 h MET 81 CO 0.00 0.96 -0.93 -0.07 1.06 0.00 0.00 176.91 177.93 1r57 h LEU 82 N 0.07 0.90 -1.65 1.22 3.38 -0.97 -3.20 115.31 115.06 1r57 h LEU 82 Ca -0.01 -0.67 -0.04 0.00 0.09 0.00 0.00 57.88 57.25 1r57 h LEU 82 Cb 0.99 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1r57 h LEU 82 CO 0.08 1.47 -0.19 -0.08 0.09 0.00 0.00 178.44 179.80 1r57 h GLU 83 N 0.44 0.00 -0.20 1.13 4.81 -0.80 -2.96 114.58 117.00 1r57 h GLU 83 Ca -0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 1r57 h GLU 83 Cb 1.58 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.96 1r57 h GLU 83 CO 0.18 0.19 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.11 1r57 h LYS 84 N 0.00 0.57 -5.65 1.92 3.64 -1.22 -3.44 116.57 112.39 1r57 h LYS 84 Ca -0.00 -0.35 -0.58 0.00 -1.27 0.00 0.00 60.65 58.44 1r57 h LYS 84 Cb 0.37 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.13 1r57 h LYS 84 CO 0.03 0.96 -0.11 -2.00 -2.27 0.00 0.00 179.45 176.05 1r57 s GLU 85 N -4.12 4.28 0.30 1.90 2.12 -1.12 -4.97 118.70 117.10 1r57 s GLU 85 Ca -0.13 0.42 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 1r57 s GLU 85 Cb 0.07 -3.48 0.44 0.00 0.26 0.00 0.00 34.13 31.41 1r57 s GLU 85 CO 0.81 0.05 1.97 0.38 -0.54 0.00 0.00 175.26 177.93 1r57 h ASP 86 N 7.00 0.96 0.84 -1.70 3.04 -1.86 -2.60 116.42 122.10 1r57 h ASP 86 Ca -0.38 -0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 53.32 1r57 h ASP 86 Cb 1.17 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 39.21 1r57 h ASP 86 CO 0.75 0.69 -0.28 -1.28 -2.04 0.00 0.00 179.24 177.08 1r57 h SER 87 N 1.13 0.00 1.10 4.15 0.87 -1.93 -2.71 113.55 116.16 1r57 h SER 87 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1r57 h SER 87 Cb -0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1r57 h SER 87 CO -0.07 0.28 -0.36 -1.22 -0.53 0.00 0.00 176.83 174.93 1r57 n TYR 88 N -3.48 0.68 1.66 2.24 4.01 -0.98 -3.74 117.16 117.55 1r57 n TYR 88 Ca -0.00 0.20 0.11 0.00 -0.16 0.00 0.00 57.90 58.05 1r57 n TYR 88 Cb 0.45 -0.76 0.54 0.00 -0.31 0.00 0.00 39.34 39.25 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 -2.14 1.34 0.06 -0.72 6.02 -1.02 -1.68 117.38 119.24 1r57 n GLN 89 Ca 0.04 -0.51 -0.23 0.00 -0.01 0.00 0.00 57.00 56.30 1r57 n GLN 89 Cb 0.43 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 1r57 n GLN 89 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1r57 h ASP 90 N 1.07 0.58 0.71 1.08 3.32 -1.72 -3.37 116.42 118.09 1r57 h ASP 90 Ca 0.00 -0.92 -0.19 0.00 0.02 0.00 0.00 57.03 55.94 1r57 h ASP 90 Cb 0.23 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1r57 h ASP 90 CO 0.00 1.73 -1.41 -0.37 -1.72 0.00 0.00 179.24 177.47 1r57 h VAL 91 N -0.01 0.60 -3.57 -1.35 -1.51 -1.80 -3.46 116.25 105.16 1r57 h VAL 91 Ca -0.32 -2.16 -0.52 0.00 -1.23 0.00 0.00 66.70 62.47 1r57 h VAL 91 Cb 2.00 2.14 -0.03 0.00 -2.13 0.00 0.00 31.29 33.27 1r57 h VAL 91 CO 0.16 0.34 0.23 -0.47 -1.23 0.00 0.00 177.57 176.60 1r57 s TYR 92 N -2.86 3.91 -1.33 5.19 5.04 -0.68 -0.44 117.35 126.19 1r57 s TYR 92 Ca -0.03 1.70 -0.16 0.00 -2.44 0.00 0.00 57.07 56.14 1r57 s TYR 92 Cb 0.08 -2.83 0.08 0.00 0.35 0.00 0.00 41.96 39.64 1r57 s TYR 92 CO 0.81 0.47 1.83 1.28 -1.34 0.00 0.00 175.55 178.60 1r57 n LEU 93 N 1.72 5.55 0.00 6.97 4.32 -0.00 -4.69 117.00 130.86 1r57 n LEU 93 Ca -0.04 -4.09 0.00 0.00 -0.02 0.00 0.00 56.01 51.85 1r57 n LEU 93 Cb 0.48 -1.69 0.00 0.00 -1.62 0.00 0.00 43.42 40.59 1r57 n LEU 93 CO 0.47 0.54 0.00 0.61 -1.22 0.00 0.00 177.39 177.79 1r57 n GLY 94 N 4.74 1.81 3.58 -0.72 0.00 -1.26 -4.81 105.19 108.53 1r57 n GLY 94 Ca 0.47 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1r57 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r57 n LEU 95 N 0.00 -3.48 0.00 0.99 0.00 -1.26 -4.87 117.00 108.38 1r57 n LEU 95 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 56.01 55.55 1r57 n LEU 95 Cb 0.00 -3.04 0.55 0.00 0.00 0.00 0.00 43.42 40.93 1r57 n LEU 95 CO 0.00 0.61 0.80 -0.62 0.00 0.00 0.00 177.39 178.18 1r57 n GLU 96 N -4.88 0.45 -2.32 1.96 1.02 -1.26 -4.18 120.64 111.44 1r57 n GLU 96 Ca -0.03 0.05 -0.35 0.00 -0.02 0.00 0.00 57.16 56.81 1r57 n GLU 96 Cb 0.58 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1r57 n GLU 96 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1r57 s HIS 97 N -2.29 2.15 -0.49 -0.32 2.46 -1.26 -4.93 115.29 110.61 1r57 s HIS 97 Ca 0.24 -0.06 -0.27 0.00 0.47 0.00 0.00 55.06 55.44 1r57 s HIS 97 Cb 0.14 -4.39 -0.01 0.00 -0.13 0.00 0.00 32.58 28.18 1r57 s HIS 97 CO 0.27 -1.91 1.76 -1.01 -2.47 0.00 0.00 174.74 171.38 1r57 s HIS 98 N 7.38 1.83 -0.53 3.88 3.76 -1.26 -4.80 115.29 125.55 1r57 s HIS 98 Ca 0.56 0.69 0.26 0.00 -0.15 0.00 0.00 55.06 56.42 1r57 s HIS 98 Cb -0.04 -4.15 0.89 0.00 1.11 0.00 0.00 32.58 30.39 1r57 s HIS 98 CO -0.02 -2.47 1.76 1.25 -0.85 0.00 0.00 174.74 174.41 1r57 h HIS 99 N 13.52 0.00 -4.41 1.40 2.76 -1.92 -3.47 115.15 123.03 1r57 h HIS 99 Ca -0.29 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.69 1r57 h HIS 99 Cb 1.15 0.00 0.11 0.00 1.55 0.00 0.00 27.41 30.23 1r57 h HIS 99 CO 1.01 0.00 -0.51 0.72 -1.30 0.00 0.00 177.93 177.84 1r57 n HIS 100 N -2.40 -1.46 0.00 5.26 8.25 -1.26 -4.85 115.22 118.76 1r57 n HIS 100 Ca 0.04 0.59 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 1r57 n HIS 100 Cb 0.35 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.60 1r57 n HIS 100 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1r57 n HIS 101 N -2.90 -1.31 -0.43 4.41 -0.00 -1.26 -5.34 115.22 108.39 1r57 n HIS 101 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.57 1r57 n HIS 101 Cb 0.60 0.26 0.00 0.00 -0.00 0.00 0.00 29.99 30.85 1r57 n HIS 101 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92