#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 6.33 -0.44 3.17 0.15 -1.26 -4.97 113.70 116.68 1r57 s SER 2 Ca 0.00 0.10 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 1r57 s SER 2 Cb 0.00 -2.55 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 1r57 s SER 2 CO 0.00 -1.58 0.29 0.20 1.20 0.00 0.00 173.24 173.34 1r57 s ASN 3 N 3.44 5.64 -1.87 5.45 0.01 -1.26 -4.51 114.94 121.83 1r57 s ASN 3 Ca 0.45 -1.67 0.00 0.00 -0.71 0.00 0.00 52.86 50.93 1r57 s ASN 3 Cb -0.08 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1r57 s ASN 3 CO 0.24 -0.59 0.00 0.18 -1.51 0.00 0.00 177.10 175.42 1r57 n LEU 4 N 4.90 -1.70 -4.81 0.60 4.77 -1.26 -4.95 117.00 114.55 1r57 n LEU 4 Ca -0.09 0.20 -0.37 0.00 -0.03 0.00 0.00 56.01 55.72 1r57 n LEU 4 Cb 0.42 -2.83 -0.06 0.00 -2.33 0.00 0.00 43.42 38.63 1r57 n LEU 4 CO 0.40 -0.54 0.38 -0.70 -1.33 0.00 0.00 177.39 175.60 1r57 s GLU 5 N -4.51 4.26 -0.46 3.23 2.56 -1.26 -4.93 118.70 117.58 1r57 s GLU 5 Ca 0.00 0.84 -0.20 0.00 0.00 0.00 0.00 54.97 55.61 1r57 s GLU 5 Cb 0.00 -3.00 0.03 0.00 2.00 0.00 0.00 34.13 33.16 1r57 s GLU 5 CO 0.00 0.47 0.65 0.42 -0.56 0.00 0.00 175.26 176.24 1r57 s ILE 6 N -1.39 4.82 0.14 -3.70 1.01 -1.26 -3.39 121.20 117.42 1r57 s ILE 6 Ca 0.39 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.89 1r57 s ILE 6 Cb -0.18 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 37.98 1r57 s ILE 6 CO 0.21 -0.68 0.49 -0.54 0.00 0.00 0.00 174.94 174.43 1r57 s LYS 7 N 2.83 3.86 -0.20 2.79 1.02 -0.11 -4.89 119.74 125.05 1r57 s LYS 7 Ca 0.21 0.32 -0.09 0.00 0.02 0.00 0.00 55.97 56.44 1r57 s LYS 7 Cb -0.15 -2.90 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1r57 s LYS 7 CO 0.17 0.48 0.10 -1.14 -0.92 0.00 0.00 175.35 174.04 1r57 s GLN 8 N -2.13 4.07 0.00 1.68 0.74 -1.26 -1.08 119.66 121.68 1r57 s GLN 8 Ca 0.38 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.50 1r57 s GLN 8 Cb -0.14 -3.35 0.00 0.00 1.10 0.00 0.00 33.01 30.62 1r57 s GLN 8 CO 0.19 0.24 0.00 0.41 -0.55 0.00 0.00 175.29 175.58 1r57 n GLY 9 N 3.69 5.82 3.55 2.59 0.00 0.73 -5.00 105.19 116.56 1r57 n GLY 9 Ca -0.16 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.43 2.40 -1.49 1.61 2.02 -1.26 -2.77 118.70 118.78 1r57 s GLU 10 Ca 0.00 0.93 0.00 0.00 0.02 0.00 0.00 54.97 55.92 1r57 s GLU 10 Cb 0.00 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.75 1r57 s GLU 10 CO 0.00 -2.98 0.00 0.09 0.02 0.00 0.00 175.26 172.39 1r57 n ASN 11 N 14.12 -5.63 -4.10 -0.19 4.13 -1.26 -4.94 115.26 117.38 1r57 n ASN 11 Ca 0.27 0.35 -0.22 0.00 1.68 0.00 0.00 54.58 56.66 1r57 n ASN 11 Cb 0.53 -4.37 -0.15 0.00 -1.54 0.00 0.00 39.78 34.25 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 -3.18 1.17 -0.27 3.52 -2.85 -1.11 -1.00 119.74 116.02 1r57 s LYS 12 Ca 0.00 -0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 54.44 1r57 s LYS 12 Cb 0.00 -1.12 0.02 0.00 -2.06 0.00 0.00 37.83 34.67 1r57 s LYS 12 CO 0.00 0.28 0.00 -0.06 0.10 0.00 0.00 175.35 175.68 1r57 s PHE 13 N -0.27 3.11 -0.11 1.78 0.08 0.31 -0.20 117.98 122.68 1r57 s PHE 13 Ca 0.04 -1.32 0.03 0.00 0.12 0.00 0.00 56.93 55.80 1r57 s PHE 13 Cb -0.06 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1r57 s PHE 13 CO -0.00 -0.67 -0.21 1.52 -0.10 0.00 0.00 175.22 175.76 1r57 s TYR 14 N 1.40 2.44 -0.16 0.36 1.13 -0.24 -0.72 117.35 121.55 1r57 s TYR 14 Ca 0.01 -1.09 -0.17 0.00 -1.41 0.00 0.00 57.07 54.41 1r57 s TYR 14 Cb -0.17 -1.66 -0.04 0.00 -1.10 0.00 0.00 41.96 38.99 1r57 s TYR 14 CO -0.01 -0.48 0.43 0.42 -2.51 0.00 0.00 175.55 173.40 1r57 s ILE 15 N 0.60 5.20 -3.04 -3.49 1.01 0.93 -0.93 121.20 121.48 1r57 s ILE 15 Ca -0.13 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1r57 s ILE 15 Cb -0.17 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1r57 s ILE 15 CO 0.04 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1r57 n GLY 16 N 3.54 -0.33 0.00 6.18 0.00 -1.22 -1.05 105.19 112.31 1r57 n GLY 16 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1r57 n GLY 16 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1r57 n ASP 17 N 0.00 1.29 -4.54 1.61 2.03 -1.14 -4.66 116.55 111.14 1r57 n ASP 17 Ca 0.00 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.06 1r57 n ASP 17 Cb 0.00 0.06 -0.11 0.00 -0.72 0.00 0.00 41.12 40.35 1r57 n ASP 17 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1r57 s ASP 18 N -2.58 3.33 0.36 1.67 2.15 -1.25 -4.97 116.67 115.39 1r57 s ASP 18 Ca 0.00 -1.32 0.14 0.00 0.43 0.00 0.00 52.55 51.80 1r57 s ASP 18 Cb 0.00 -0.28 0.69 0.00 -0.30 0.00 0.00 42.92 43.03 1r57 s ASP 18 CO 0.00 -0.44 1.79 -0.33 -0.17 0.00 0.00 175.17 176.02 1r57 h GLU 19 N 1.96 0.00 0.07 4.34 5.08 -1.99 -2.49 114.58 121.54 1r57 h GLU 19 Ca -0.42 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.66 1r57 h GLU 19 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1r57 h GLU 19 CO 0.75 0.41 -1.42 -0.91 -1.00 0.00 0.00 179.01 176.83 1r57 h ASN 20 N 0.00 0.22 -0.43 1.42 2.35 -2.03 -3.32 115.58 113.79 1r57 h ASN 20 Ca -0.00 -0.30 -0.27 0.00 -0.55 0.00 0.00 56.30 55.18 1r57 h ASN 20 Cb 0.75 -0.07 -0.13 0.00 0.05 0.00 0.00 38.32 38.92 1r57 h ASN 20 CO 0.05 1.25 0.35 0.59 -1.65 0.00 0.00 177.43 178.02 1r57 n ASN 21 N -3.35 5.46 -4.57 5.81 3.02 -0.97 -4.85 115.26 115.80 1r57 n ASN 21 Ca -0.12 -2.91 -0.43 0.00 -0.03 0.00 0.00 54.58 51.09 1r57 n ASN 21 Cb 1.02 -0.94 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1r57 n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r57 s ALA 22 N -1.57 3.19 -0.28 5.41 0.00 -0.98 -2.87 121.76 124.66 1r57 s ALA 22 Ca 0.27 -0.73 0.21 0.00 0.00 0.00 0.00 51.96 51.70 1r57 s ALA 22 Cb 0.21 -3.75 0.11 0.00 0.00 0.00 0.00 23.12 19.70 1r57 s ALA 22 CO 0.01 -2.18 1.28 -0.07 0.00 0.00 0.00 175.76 174.79 1r57 h LEU 23 N 10.89 0.00 -6.14 0.00 3.38 -1.42 -3.44 115.31 118.58 1r57 h LEU 23 Ca -0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1r57 h LEU 23 Cb 1.07 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.58 1r57 h LEU 23 CO 1.07 0.14 -0.37 0.00 0.09 0.00 0.00 178.44 179.37 1r57 s ALA 24 N -3.20 -1.91 -0.14 1.53 0.00 -1.03 -1.14 121.76 115.86 1r57 s ALA 24 Ca 0.03 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1r57 s ALA 24 Cb 0.08 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1r57 s ALA 24 CO 0.74 -1.47 -0.11 -1.83 0.00 0.00 0.00 175.76 173.09 1r57 s GLU 25 N 2.75 3.42 -0.13 0.00 1.03 -0.46 -0.05 118.70 125.26 1r57 s GLU 25 Ca 0.16 -0.66 0.02 0.00 0.03 0.00 0.00 54.97 54.52 1r57 s GLU 25 Cb -0.14 -2.69 0.01 0.00 -0.80 0.00 0.00 34.13 30.52 1r57 s GLU 25 CO -0.22 0.20 -0.19 -1.50 -1.33 0.00 0.00 175.26 172.22 1r57 s ILE 26 N 0.41 1.82 -0.08 1.83 2.07 0.10 -0.60 121.20 126.74 1r57 s ILE 26 Ca -0.09 -0.83 -0.01 0.00 -1.41 0.00 0.00 60.65 58.31 1r57 s ILE 26 Cb -0.16 -1.63 -0.03 0.00 0.13 0.00 0.00 42.46 40.78 1r57 s ILE 26 CO 0.05 0.50 -0.03 0.42 -1.91 0.00 0.00 174.94 173.97 1r57 s THR 27 N 0.92 4.07 -0.08 4.00 -4.23 -0.01 -0.53 115.64 119.78 1r57 s THR 27 Ca -0.06 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 1r57 s THR 27 Cb -0.15 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1r57 s THR 27 CO -0.02 0.60 -0.10 -0.72 -0.54 0.00 0.00 174.62 173.83 1r57 s TYR 28 N -0.84 1.41 0.39 3.99 1.13 -0.17 -0.76 117.35 122.50 1r57 s TYR 28 Ca 0.13 -0.57 0.08 0.00 -1.41 0.00 0.00 57.07 55.30 1r57 s TYR 28 Cb -0.11 -1.08 -0.05 0.00 -1.10 0.00 0.00 41.96 39.61 1r57 s TYR 28 CO 0.02 -0.33 0.12 0.50 -2.51 0.00 0.00 175.55 173.35 1r57 s ARG 29 N 0.96 2.19 -0.39 -3.49 6.06 0.92 -4.78 118.95 120.41 1r57 s ARG 29 Ca -0.09 -1.80 -0.14 0.00 -2.50 0.00 0.00 55.73 51.19 1r57 s ARG 29 Cb -0.15 -1.97 0.01 0.00 0.06 0.00 0.00 34.95 32.91 1r57 s ARG 29 CO 0.00 -0.02 0.28 -0.06 -2.50 0.00 0.00 175.30 173.00 1r57 s PHE 30 N -2.57 3.24 -0.20 5.12 0.40 -1.26 -0.18 117.98 122.53 1r57 s PHE 30 Ca 0.39 -0.53 0.19 0.00 -0.60 0.00 0.00 56.93 56.37 1r57 s PHE 30 Cb 0.03 -2.56 -0.00 0.00 0.51 0.00 0.00 43.02 40.99 1r57 s PHE 30 CO 0.21 -0.55 1.09 -0.39 0.70 0.00 0.00 175.22 176.29 1r57 h VAL 31 N 5.61 0.33 -4.38 -0.44 -1.51 -1.77 -3.47 116.25 110.62 1r57 h VAL 31 Ca -0.28 -1.58 -0.17 0.00 -1.23 0.00 0.00 66.70 63.44 1r57 h VAL 31 Cb 1.13 1.91 -0.15 0.00 -2.13 0.00 0.00 31.29 32.05 1r57 h VAL 31 CO 0.71 0.19 -0.64 -0.62 -1.23 0.00 0.00 177.57 175.98 1r57 s ASP 32 N -5.80 0.32 0.52 4.19 2.15 -0.74 -4.99 116.67 112.32 1r57 s ASP 32 Ca 0.00 -1.17 0.27 0.00 0.43 0.00 0.00 52.55 52.09 1r57 s ASP 32 Cb 0.08 0.29 1.43 0.00 -0.30 0.00 0.00 42.92 44.43 1r57 s ASP 32 CO 0.78 -0.72 2.07 0.78 -0.17 0.00 0.00 175.17 177.90 1r57 h ASN 33 N 2.88 0.00 0.00 -0.34 4.21 -2.01 -2.79 115.58 117.53 1r57 h ASN 33 Ca -0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.16 1r57 h ASN 33 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 1r57 h ASN 33 CO 0.59 0.12 -0.14 0.59 -1.29 0.00 0.00 177.43 177.30 1r57 n ASN 34 N -3.65 1.44 -3.80 5.81 4.13 -1.26 -5.01 115.26 112.93 1r57 n ASN 34 Ca -0.02 -2.46 -0.22 0.00 1.68 0.00 0.00 54.58 53.56 1r57 n ASN 34 Cb 0.24 -0.27 -0.17 0.00 -1.54 0.00 0.00 39.78 38.04 1r57 n ASN 34 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1r57 s GLU 35 N -1.56 0.64 0.11 3.52 2.02 -1.06 -0.60 118.70 121.77 1r57 s GLU 35 Ca 0.16 0.07 0.07 0.00 0.02 0.00 0.00 54.97 55.28 1r57 s GLU 35 Cb 0.14 -0.93 -0.04 0.00 0.10 0.00 0.00 34.13 33.40 1r57 s GLU 35 CO 0.01 -0.26 -0.08 0.96 0.02 0.00 0.00 175.26 175.92 1r57 s ILE 36 N 1.74 3.50 -0.02 -1.63 -4.36 0.38 -1.79 121.20 119.02 1r57 s ILE 36 Ca 0.01 -1.24 0.07 0.00 -0.26 0.00 0.00 60.65 59.23 1r57 s ILE 36 Cb -0.13 -2.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 1r57 s ILE 36 CO -0.04 0.09 -0.24 0.54 0.24 0.00 0.00 174.94 175.53 1r57 s ASN 37 N -2.29 2.79 -0.54 4.36 4.22 0.75 -1.48 114.94 122.73 1r57 s ASN 37 Ca 0.23 -0.43 -0.24 0.00 -2.14 0.00 0.00 52.86 50.28 1r57 s ASN 37 Cb -0.11 -0.38 0.04 0.00 1.28 0.00 0.00 41.25 42.08 1r57 s ASN 37 CO 0.15 0.28 0.91 -0.63 -2.04 0.00 0.00 177.10 175.77 1r57 s ILE 38 N -0.49 4.44 -0.01 0.54 1.09 0.73 -0.06 121.20 127.44 1r57 s ILE 38 Ca 0.07 0.22 -0.08 0.00 -1.10 0.00 0.00 60.65 59.76 1r57 s ILE 38 Cb -0.10 -4.51 -0.04 0.00 -1.06 0.00 0.00 42.46 36.75 1r57 s ILE 38 CO -0.00 -1.07 0.62 0.44 -0.10 0.00 0.00 174.94 174.82 1r57 h ASP 39 N 9.27 -0.24 -3.48 3.58 3.32 -1.28 0.19 116.42 127.77 1r57 h ASP 39 Ca -0.26 0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.26 1r57 h ASP 39 Cb 1.08 0.06 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 1r57 h ASP 39 CO 1.07 -0.07 -0.82 -2.28 -1.72 0.00 0.00 179.24 175.42 1r57 s HIS 40 N -2.74 1.58 -0.38 4.55 5.04 -1.25 -3.82 115.29 118.28 1r57 s HIS 40 Ca -0.04 -0.57 0.03 0.00 -1.54 0.00 0.00 55.06 52.94 1r57 s HIS 40 Cb 0.00 -1.13 0.11 0.00 0.04 0.00 0.00 32.58 31.60 1r57 s HIS 40 CO 0.13 -0.27 0.10 0.99 -2.34 0.00 0.00 174.74 173.35 1r57 s THR 41 N 0.54 2.15 -0.50 0.89 2.01 -1.26 -0.83 115.64 118.64 1r57 s THR 41 Ca -0.13 -2.44 -0.09 0.00 0.31 0.00 0.00 61.69 59.34 1r57 s THR 41 Cb -0.15 -2.57 0.13 0.00 0.01 0.00 0.00 72.50 69.91 1r57 s THR 41 CO 0.04 -0.66 0.37 -0.83 -0.69 0.00 0.00 174.62 172.85 1r57 s GLY 42 N 0.73 2.10 -0.16 4.40 0.00 0.23 -4.97 107.32 109.65 1r57 s GLY 42 Ca 0.12 -2.63 0.00 0.00 0.00 0.00 0.00 44.72 42.22 1r57 s GLY 42 CO -0.08 1.12 -0.15 0.14 0.00 0.00 0.00 173.10 174.12 1r57 s VAL 43 N 1.20 2.61 -0.00 1.40 1.01 -1.26 -1.35 120.40 124.01 1r57 s VAL 43 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 1r57 s VAL 43 Cb -0.25 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1r57 s VAL 43 CO -0.01 0.51 1.46 -0.44 0.00 0.00 0.00 175.10 176.62 1r57 s SER 44 N 0.90 6.79 -0.35 3.32 0.01 -0.29 -4.89 113.70 119.19 1r57 s SER 44 Ca -0.04 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.39 1r57 s SER 44 Cb -0.15 -2.56 0.33 0.00 0.21 0.00 0.00 66.02 63.86 1r57 s SER 44 CO -0.02 -0.77 1.81 -0.90 0.41 0.00 0.00 173.24 173.78 1r57 n ASP 45 N 5.66 5.28 -0.11 2.44 5.75 -1.26 -4.49 116.55 129.81 1r57 n ASP 45 Ca 0.14 -3.13 0.17 0.00 -0.01 0.00 0.00 54.79 51.96 1r57 n ASP 45 Cb 0.43 -0.89 0.56 0.00 -1.03 0.00 0.00 41.12 40.20 1r57 n ASP 45 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1r57 h GLU 46 N 1.15 0.27 -0.31 0.11 4.39 -1.99 0.27 114.58 118.48 1r57 h GLU 46 Ca 0.38 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1r57 h GLU 46 Cb 1.46 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1r57 h GLU 46 CO 0.84 0.18 0.00 1.28 -1.16 0.00 0.00 179.01 180.15 1r57 n LEU 47 N -4.44 2.58 -2.46 1.33 4.32 -1.26 -4.92 117.00 112.15 1r57 n LEU 47 Ca 0.13 -1.13 -0.18 0.00 -0.02 0.00 0.00 56.01 54.81 1r57 n LEU 47 Cb 0.56 -0.20 0.03 0.00 -1.62 0.00 0.00 43.42 42.18 1r57 n LEU 47 CO 0.34 0.57 -0.00 0.61 -1.22 0.00 0.00 177.39 177.69 1r57 n GLY 48 N 1.32 -0.28 0.00 -0.72 0.00 0.96 -4.70 105.19 101.76 1r57 n GLY 48 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.38 1.69 3.25 -0.02 0.00 -1.26 -5.12 105.19 102.36 1r57 n GLY 49 Ca -0.09 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 1r57 n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r57 s GLN 50 N -3.24 1.30 0.28 1.61 0.00 -1.26 -5.03 119.66 113.32 1r57 s GLN 50 Ca 0.00 -1.69 0.24 0.00 -0.00 0.00 0.00 55.36 53.91 1r57 s GLN 50 Cb 0.00 0.04 1.04 0.00 0.00 0.00 0.00 33.01 34.09 1r57 s GLN 50 CO 0.00 -0.35 1.72 0.41 0.00 0.00 0.00 175.29 177.07 1r57 n GLY 51 N -0.36 -1.24 0.39 2.60 0.00 -1.26 -2.98 105.19 102.34 1r57 n GLY 51 Ca 0.01 0.11 0.21 0.00 0.00 0.00 0.00 46.02 46.35 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 0.55 -0.28 1.61 2.07 -1.97 -1.50 116.25 116.72 1r57 h VAL 52 Ca 0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1r57 h VAL 52 Cb 0.32 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1r57 h VAL 52 CO 0.00 0.09 0.17 1.23 0.02 0.00 0.00 177.57 179.07 1r57 h GLY 53 N 0.47 0.39 2.00 2.17 0.00 -1.98 -2.48 103.07 103.64 1r57 h GLY 53 Ca 0.60 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 1r57 h GLY 53 CO -0.34 0.12 -0.46 1.70 0.00 0.00 0.00 176.54 177.56 1r57 h LYS 54 N 0.35 0.00 -0.43 4.80 3.64 -1.54 -2.84 116.57 120.54 1r57 h LYS 54 Ca 0.11 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1r57 h LYS 54 Cb -0.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1r57 h LYS 54 CO -0.05 0.46 0.24 0.87 -2.27 0.00 0.00 179.45 178.70 1r57 h LYS 55 N 0.00 0.47 -0.07 1.90 1.57 -1.02 0.44 116.57 119.85 1r57 h LYS 55 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1r57 h LYS 55 Cb 1.17 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1r57 h LYS 55 CO 0.06 0.31 0.04 -0.07 -0.57 0.00 0.00 179.45 179.22 1r57 h LEU 56 N 0.48 0.09 -0.61 2.94 3.38 -1.30 -2.62 115.31 117.66 1r57 h LEU 56 Ca 0.18 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1r57 h LEU 56 Cb 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1r57 h LEU 56 CO -0.10 0.11 0.39 -0.07 0.09 0.00 0.00 178.44 178.86 1r57 h LEU 57 N 0.05 0.64 -0.76 1.67 4.07 -1.26 -1.35 115.31 118.38 1r57 h LEU 57 Ca 0.03 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.03 1r57 h LEU 57 Cb 0.04 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 1r57 h LEU 57 CO -0.00 0.46 0.46 0.50 -1.08 0.00 0.00 178.44 178.77 1r57 h LYS 58 N 0.77 0.82 -0.45 1.13 3.64 -0.77 0.21 116.57 121.92 1r57 h LYS 58 Ca 0.24 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1r57 h LYS 58 Cb -0.02 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1r57 h LYS 58 CO -0.08 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.64 1r57 h ALA 59 N 1.36 0.61 -0.10 5.00 0.00 -1.06 0.05 119.26 125.12 1r57 h ALA 59 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1r57 h ALA 59 Cb 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r57 h ALA 59 CO -0.16 0.40 0.03 0.28 0.00 0.00 0.00 179.25 179.80 1r57 h VAL 60 N 0.64 1.17 -0.76 0.00 2.07 -0.55 -0.75 116.25 118.07 1r57 h VAL 60 Ca 0.13 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 1r57 h VAL 60 Cb 0.49 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1r57 h VAL 60 CO 0.02 0.15 0.34 0.58 0.02 0.00 0.00 177.57 178.68 1r57 h VAL 61 N -0.02 1.24 -0.14 2.57 2.07 -0.56 0.24 116.25 121.65 1r57 h VAL 61 Ca 0.03 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1r57 h VAL 61 Cb 0.20 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1r57 h VAL 61 CO -0.00 0.30 0.07 -0.08 0.02 0.00 0.00 177.57 177.88 1r57 h GLU 62 N 1.08 0.20 0.00 1.57 4.57 -0.81 -0.28 114.58 120.91 1r57 h GLU 62 Ca 0.26 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1r57 h GLU 62 Cb 0.15 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1r57 h GLU 62 CO -0.03 0.25 -0.30 1.25 -1.18 0.00 0.00 179.01 179.01 1r57 h HIS 63 N 0.10 0.00 0.26 0.92 2.76 -0.80 -0.25 115.15 118.14 1r57 h HIS 63 Ca 0.05 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1r57 h HIS 63 Cb 0.12 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.08 1r57 h HIS 63 CO -0.03 0.30 -0.13 0.00 -1.30 0.00 0.00 177.93 176.77 1r57 h ALA 64 N 1.70 -0.35 -0.45 5.26 0.00 -0.03 -2.70 119.26 122.69 1r57 h ALA 64 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1r57 h ALA 64 Cb 0.68 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1r57 h ALA 64 CO 0.04 -0.50 0.15 0.00 0.00 0.00 0.00 179.25 178.95 1r57 h ARG 65 N -0.75 0.64 -0.49 0.00 3.08 -0.94 0.49 114.38 116.41 1r57 h ARG 65 Ca -0.04 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.00 1r57 h ARG 65 Cb 0.50 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.36 1r57 h ARG 65 CO 0.06 0.55 0.08 1.49 -1.07 0.00 0.00 179.97 181.08 1r57 h GLU 66 N 0.64 0.21 -0.47 0.04 4.81 -1.00 -2.69 114.58 116.10 1r57 h GLU 66 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1r57 h GLU 66 Cb 0.17 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1r57 h GLU 66 CO -0.01 0.14 0.00 0.09 -0.73 0.00 0.00 179.01 178.49 1r57 n ASN 67 N -5.13 3.29 -3.09 1.04 5.03 -1.02 -4.99 115.26 110.39 1r57 n ASN 67 Ca 0.05 -1.97 -0.01 0.00 0.87 0.00 0.00 54.58 53.52 1r57 n ASN 67 Cb 0.24 -0.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 1r57 n ASN 67 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1r57 n ASN 68 N 1.00 -7.70 -4.28 6.41 4.05 0.01 -5.02 115.26 109.74 1r57 n ASN 68 Ca 0.17 -0.11 -0.30 0.00 0.45 0.00 0.00 54.58 54.79 1r57 n ASN 68 Cb 0.50 -5.20 -0.16 0.00 1.23 0.00 0.00 39.78 36.16 1r57 n ASN 68 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r57 s LEU 69 N -4.05 2.05 0.24 1.20 1.43 0.15 -4.78 118.68 114.91 1r57 s LEU 69 Ca 0.00 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 1r57 s LEU 69 Cb -0.00 -1.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.88 1r57 s LEU 69 CO 0.75 0.29 0.72 -0.54 0.23 0.00 0.00 176.35 177.81 1r57 s LYS 70 N -0.52 4.20 -0.21 1.70 3.01 0.24 -4.52 119.74 123.63 1r57 s LYS 70 Ca 0.08 0.82 -0.03 0.00 -1.01 0.00 0.00 55.97 55.83 1r57 s LYS 70 Cb -0.10 -2.80 -0.00 0.00 -1.01 0.00 0.00 37.83 33.92 1r57 s LYS 70 CO -0.00 0.35 -0.08 0.42 0.51 0.00 0.00 175.35 176.55 1r57 s ILE 71 N -1.60 3.07 0.09 2.17 1.01 0.26 -0.47 121.20 125.73 1r57 s ILE 71 Ca 0.45 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.57 1r57 s ILE 71 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1r57 s ILE 71 CO 0.20 0.45 -0.18 0.27 0.00 0.00 0.00 174.94 175.68 1r57 s ILE 72 N 1.36 1.48 -0.04 2.92 -4.36 -0.55 -2.96 121.20 119.05 1r57 s ILE 72 Ca 0.05 -1.43 0.04 0.00 -0.26 0.00 0.00 60.65 59.05 1r57 s ILE 72 Cb -0.14 -1.36 -0.00 0.00 1.25 0.00 0.00 42.46 42.21 1r57 s ILE 72 CO -0.05 -0.11 -0.16 0.00 0.24 0.00 0.00 174.94 174.87 1r57 s ALA 73 N -1.18 1.44 -0.08 2.27 0.00 -1.26 -0.20 121.76 122.76 1r57 s ALA 73 Ca 0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 1r57 s ALA 73 Cb -0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 23.12 22.25 1r57 s ALA 73 CO 0.03 0.26 0.63 0.77 0.00 0.00 0.00 175.76 177.45 1r57 h SER 74 N 6.28 0.46 -2.65 0.00 0.02 -0.87 -3.43 113.55 113.36 1r57 h SER 74 Ca -0.33 -0.89 -0.53 0.00 -0.84 0.00 0.00 61.79 59.21 1r57 h SER 74 Cb 1.17 -0.15 0.03 0.00 0.14 0.00 0.00 62.40 63.59 1r57 h SER 74 CO 0.48 1.64 1.03 0.00 -1.14 0.00 0.00 176.83 178.84 1r57 h SER 76 N 8.38 0.92 -0.87 0.00 0.02 -1.95 0.15 113.55 120.19 1r57 h SER 76 Ca -0.44 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 1r57 h SER 76 Cb 1.21 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 1r57 h SER 76 CO 0.93 0.64 0.47 0.15 -1.14 0.00 0.00 176.83 177.89 1r57 h PHE 77 N 1.07 1.19 0.16 3.45 3.57 -1.96 -1.95 116.94 122.48 1r57 h PHE 77 Ca 0.32 -0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.49 1r57 h PHE 77 Cb -0.02 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.35 1r57 h PHE 77 CO -0.00 0.83 -1.48 0.00 -2.23 0.00 0.00 178.31 175.43 1r57 h ALA 78 N 1.26 0.09 -0.07 2.41 0.00 -1.81 -3.29 119.26 117.85 1r57 h ALA 78 Ca 0.31 -1.03 0.01 0.00 0.00 0.00 0.00 54.91 54.20 1r57 h ALA 78 Cb 0.03 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r57 h ALA 78 CO -0.05 0.82 -0.01 -0.22 0.00 0.00 0.00 179.25 179.79 1r57 h LYS 79 N -0.10 0.01 0.00 0.00 3.64 -0.66 -1.84 116.57 117.61 1r57 h LYS 79 Ca -0.29 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1r57 h LYS 79 Cb 1.93 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1r57 h LYS 79 CO 0.14 0.01 0.00 1.25 -2.27 0.00 0.00 179.45 178.58 1r57 h HIS 80 N 0.01 0.00 -0.30 1.91 2.76 -1.52 -2.23 115.15 115.77 1r57 h HIS 80 Ca 0.03 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.02 1r57 h HIS 80 Cb 0.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.00 1r57 h HIS 80 CO -0.12 0.00 -0.53 1.98 -1.30 0.00 0.00 177.93 177.96 1r57 h MET 81 N 0.00 0.89 0.00 5.26 1.85 -1.40 -2.28 114.93 119.25 1r57 h MET 81 Ca 0.00 -0.56 -0.07 0.00 -0.61 0.00 0.00 59.70 58.46 1r57 h MET 81 Cb 0.36 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.44 1r57 h MET 81 CO 0.00 1.19 -0.33 -0.07 -0.40 0.00 0.00 176.91 177.30 1r57 h LEU 82 N 0.69 0.00 -0.83 3.39 4.07 -1.30 0.10 115.31 121.43 1r57 h LEU 82 Ca 0.02 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 1r57 h LEU 82 Cb 1.14 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1r57 h LEU 82 CO 0.12 0.33 0.31 -0.33 -1.08 0.00 0.00 178.44 177.80 1r57 h GLU 83 N 0.00 1.18 0.02 1.13 5.08 -1.31 -3.24 114.58 117.44 1r57 h GLU 83 Ca -0.00 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1r57 h GLU 83 Cb 1.13 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1r57 h GLU 83 CO 0.04 0.95 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.63 1r57 h LYS 84 N 1.15 0.06 -6.01 2.33 3.64 -1.18 -3.42 116.57 113.14 1r57 h LYS 84 Ca 0.26 -0.10 -0.48 0.00 -1.27 0.00 0.00 60.65 59.07 1r57 h LYS 84 Cb 0.21 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 1r57 h LYS 84 CO -0.02 1.01 1.19 -2.00 -2.27 0.00 0.00 179.45 177.36 1r57 s GLU 85 N -2.41 2.80 0.54 1.90 2.56 0.33 -4.81 118.70 119.61 1r57 s GLU 85 Ca -0.18 0.14 0.35 0.00 0.00 0.00 0.00 54.97 55.28 1r57 s GLU 85 Cb -0.02 -4.55 1.56 0.00 2.00 0.00 0.00 34.13 33.13 1r57 s GLU 85 CO 0.72 -2.70 2.03 0.38 -0.56 0.00 0.00 175.26 175.13 1r57 h ASP 86 N 12.89 0.00 0.50 -1.70 2.03 -1.82 -1.36 116.42 126.96 1r57 h ASP 86 Ca -0.16 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 1r57 h ASP 86 Cb 1.10 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1r57 h ASP 86 CO 1.24 0.00 -0.11 0.28 -1.03 0.00 0.00 179.24 179.63 1r57 h SER 87 N 0.00 0.00 -0.58 4.15 0.02 -1.91 -2.08 113.55 113.14 1r57 h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r57 h SER 87 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1r57 h SER 87 CO 0.00 0.11 0.00 -1.22 -1.14 0.00 0.00 176.83 174.58 1r57 n TYR 88 N -3.47 0.77 0.25 3.45 4.01 -0.52 -4.37 117.16 117.29 1r57 n TYR 88 Ca -0.01 -0.42 0.12 0.00 -0.16 0.00 0.00 57.90 57.42 1r57 n TYR 88 Cb 0.26 -0.00 0.66 0.00 -0.31 0.00 0.00 39.34 39.95 1r57 n TYR 88 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1r57 h GLN 89 N 4.02 0.00 -0.11 -0.72 5.75 -1.38 -1.07 115.11 121.60 1r57 h GLN 89 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1r57 h GLN 89 Cb 0.95 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.49 1r57 h GLN 89 CO 0.00 0.15 0.02 -0.44 -2.65 0.00 0.00 178.83 175.91 1r57 h ASP 90 N 0.00 0.18 1.38 -0.69 5.19 -1.78 -3.23 116.42 117.48 1r57 h ASP 90 Ca -0.00 -0.26 -0.04 0.00 -0.62 0.00 0.00 57.03 56.11 1r57 h ASP 90 Cb 0.41 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1r57 h ASP 90 CO 0.02 0.40 -0.64 -0.37 -3.12 0.00 0.00 179.24 175.53 1r57 h VAL 91 N -0.04 0.19 -3.82 -1.35 -1.51 -1.81 -3.45 116.25 104.45 1r57 h VAL 91 Ca 0.03 -1.30 -0.48 0.00 -1.23 0.00 0.00 66.70 63.72 1r57 h VAL 91 Cb 0.30 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1r57 h VAL 91 CO 0.00 0.11 0.38 -0.47 -1.23 0.00 0.00 177.57 176.35 1r57 s TYR 92 N -3.20 3.76 -0.54 5.19 5.04 -0.43 -0.58 117.35 126.59 1r57 s TYR 92 Ca 0.02 1.81 -0.13 0.00 -2.44 0.00 0.00 57.07 56.33 1r57 s TYR 92 Cb 0.08 -3.03 0.13 0.00 0.35 0.00 0.00 41.96 39.49 1r57 s TYR 92 CO 0.74 0.11 0.47 -0.51 -1.34 0.00 0.00 175.55 175.02 1r57 s LEU 93 N -1.65 6.06 0.46 6.97 1.43 -1.16 -4.87 118.68 125.93 1r57 s LEU 93 Ca 0.46 -1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 51.44 1r57 s LEU 93 Cb -0.24 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1r57 s LEU 93 CO 0.30 -0.78 0.98 -0.83 0.23 0.00 0.00 176.35 176.26 1r57 s GLY 94 N 3.14 2.38 0.29 -3.19 0.00 -1.26 -4.97 107.32 103.71 1r57 s GLY 94 Ca 0.05 0.43 0.17 0.00 0.00 0.00 0.00 44.72 45.37 1r57 s GLY 94 CO 0.01 0.72 1.42 1.41 0.00 0.00 0.00 173.10 176.66 1r57 h LEU 95 N 1.64 0.00 -9.74 0.66 3.38 -2.04 -3.44 115.31 105.77 1r57 h LEU 95 Ca -0.49 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 1r57 h LEU 95 Cb 1.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1r57 h LEU 95 CO 0.60 0.39 -0.10 -1.83 0.09 0.00 0.00 178.44 177.59 1r57 s GLU 96 N -3.02 4.04 -0.30 1.13 1.03 -1.26 -5.04 118.70 115.29 1r57 s GLU 96 Ca 0.04 0.56 -0.29 0.00 0.03 0.00 0.00 54.97 55.31 1r57 s GLU 96 Cb 0.07 -3.14 0.01 0.00 -0.80 0.00 0.00 34.13 30.28 1r57 s GLU 96 CO 0.74 0.61 1.11 -1.01 -1.33 0.00 0.00 175.26 175.37 1r57 s HIS 97 N -1.22 3.11 -1.24 4.83 3.76 -1.26 -4.87 115.29 118.40 1r57 s HIS 97 Ca 0.30 1.19 0.29 0.00 -0.15 0.00 0.00 55.06 56.69 1r57 s HIS 97 Cb -0.17 -3.65 1.36 0.00 1.11 0.00 0.00 32.58 31.23 1r57 s HIS 97 CO 0.18 -0.88 1.97 1.58 -0.85 0.00 0.00 174.74 176.73 1r57 n HIS 98 N 6.87 0.00 -0.84 1.40 -0.00 -1.26 -4.88 115.22 116.51 1r57 n HIS 98 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 1r57 n HIS 98 Cb 0.47 -0.38 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1r57 n HIS 98 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1r57 n HIS 99 N -1.38 0.00 -3.15 1.57 8.25 -1.26 -4.82 115.22 114.43 1r57 n HIS 99 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.63 1r57 n HIS 99 Cb 0.28 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.55 1r57 n HIS 99 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r57 s HIS 100 N -2.19 -0.20 -1.30 4.41 5.65 -1.26 -5.07 115.29 115.33 1r57 s HIS 100 Ca 0.00 0.21 -0.08 0.00 0.25 0.00 0.00 55.06 55.44 1r57 s HIS 100 Cb 0.00 0.07 0.15 0.00 -1.18 0.00 0.00 32.58 31.61 1r57 s HIS 100 CO 0.00 -0.11 2.08 1.58 -0.65 0.00 0.00 174.74 177.65 1r57 n HIS 101 N 5.46 2.78 -1.92 3.88 -0.00 -1.26 -5.16 115.22 119.00 1r57 n HIS 101 Ca -0.08 -2.80 0.00 0.00 0.46 0.00 0.00 57.72 55.30 1r57 n HIS 101 Cb 0.55 -1.91 0.00 0.00 -0.12 0.00 0.00 29.99 28.51 1r57 n HIS 101 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38