#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag6 s GLU 2 N 0.00 2.97 -0.12 1.45 2.12 -1.26 -0.84 118.70 123.02 1ag6 s GLU 2 Ca 0.00 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1ag6 s GLU 2 Cb 0.00 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.80 1ag6 s GLU 2 CO 0.00 0.50 -0.18 0.08 -0.54 0.00 0.00 175.26 175.13 1ag6 s VAL 3 N -0.38 1.69 0.14 3.70 1.01 0.55 -4.56 120.40 122.55 1ag6 s VAL 3 Ca 0.05 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1ag6 s VAL 3 Cb -0.12 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1ag6 s VAL 3 CO 0.02 0.48 0.72 -0.76 0.00 0.00 0.00 175.10 175.56 1ag6 s LEU 4 N 0.93 4.57 -0.63 3.92 1.43 0.16 -0.68 118.68 128.38 1ag6 s LEU 4 Ca -0.07 1.54 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 1ag6 s LEU 4 Cb -0.15 -3.20 0.13 0.00 0.03 0.00 0.00 46.19 42.99 1ag6 s LEU 4 CO -0.02 0.22 0.68 -0.76 0.23 0.00 0.00 176.35 176.71 1ag6 s LEU 5 N -1.16 5.74 0.00 1.79 1.43 -0.25 -1.25 118.68 124.98 1ag6 s LEU 5 Ca 0.34 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 51.73 1ag6 s LEU 5 Cb -0.22 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1ag6 s LEU 5 CO 0.24 -0.98 0.00 0.61 0.23 0.00 0.00 176.35 176.45 1ag6 n GLY 6 N 5.14 1.44 3.80 -3.19 0.00 0.04 -1.18 105.19 111.24 1ag6 n GLY 6 Ca -0.06 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 1ag6 n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ag6 s GLY 7 N -0.28 1.58 0.50 -0.02 0.00 -0.58 -4.29 107.32 104.24 1ag6 s GLY 7 Ca 0.00 -0.56 0.23 0.00 0.00 0.00 0.00 44.72 44.39 1ag6 s GLY 7 CO 0.00 -0.01 2.06 -0.55 0.00 0.00 0.00 173.10 174.60 1ag6 h ASP 8 N -1.45 0.00 -0.02 1.64 5.19 -1.93 -0.21 116.42 119.64 1ag6 h ASP 8 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1ag6 h ASP 8 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1ag6 h ASP 8 CO 0.62 0.13 0.00 -0.90 -3.12 0.00 0.00 179.24 175.97 1ag6 n ASP 9 N -3.89 0.24 0.00 6.45 5.75 -1.26 -4.90 116.55 118.94 1ag6 n ASP 9 Ca -0.02 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 1ag6 n ASP 9 Cb 0.23 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1ag6 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ag6 n GLY 10 N 0.88 0.61 3.77 6.12 0.00 -0.09 -5.00 105.19 111.47 1ag6 n GLY 10 Ca 0.16 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1ag6 n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ag6 s SER 11 N -2.05 6.14 -1.14 1.61 1.04 -1.25 -4.60 113.70 113.44 1ag6 s SER 11 Ca 0.00 2.53 -0.08 0.00 0.48 0.00 0.00 55.95 58.87 1ag6 s SER 11 Cb 0.00 -2.62 0.26 0.00 0.10 0.00 0.00 66.02 63.75 1ag6 s SER 11 CO 0.00 -0.95 1.37 0.18 0.98 0.00 0.00 173.24 174.82 1ag6 n LEU 12 N -0.23 5.88 -3.94 2.42 4.77 -1.26 -1.53 117.00 123.12 1ag6 n LEU 12 Ca 0.06 -4.95 -0.11 0.00 -0.03 0.00 0.00 56.01 50.98 1ag6 n LEU 12 Cb 0.45 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 39.98 1ag6 n LEU 12 CO 0.52 1.35 -0.37 0.00 -1.33 0.00 0.00 177.39 177.56 1ag6 s ALA 13 N -1.06 0.14 0.13 -1.18 0.00 -1.26 -3.94 121.76 114.59 1ag6 s ALA 13 Ca 0.34 -0.31 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1ag6 s ALA 13 Cb -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.08 1ag6 s ALA 13 CO 0.00 -0.05 0.95 -0.06 0.00 0.00 0.00 175.76 176.61 1ag6 s PHE 14 N -0.66 3.84 -0.24 0.00 0.08 -1.26 -0.78 117.98 118.95 1ag6 s PHE 14 Ca -0.06 1.81 0.01 0.00 0.12 0.00 0.00 56.93 58.80 1ag6 s PHE 14 Cb -0.05 -3.04 0.07 0.00 -0.57 0.00 0.00 43.02 39.43 1ag6 s PHE 14 CO -0.00 0.24 -0.03 -0.51 -0.10 0.00 0.00 175.22 174.82 1ag6 s LEU 15 N -0.17 2.60 0.67 -0.37 1.43 -0.38 -2.35 118.68 120.12 1ag6 s LEU 15 Ca 0.46 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1ag6 s LEU 15 Cb -0.24 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1ag6 s LEU 15 CO 0.30 -0.26 1.06 -2.16 0.23 0.00 0.00 176.35 175.52 1ag6 s PRO 16 N 1.41 3.13 -0.02 1.29 0.04 -1.26 -0.67 135.00 138.92 1ag6 s PRO 16 Ca -0.04 0.72 0.18 0.00 0.04 0.00 0.00 61.00 61.91 1ag6 s PRO 16 Cb -0.19 -2.03 -0.25 0.00 0.04 0.00 0.00 34.50 32.07 1ag6 s PRO 16 CO -0.08 -0.90 0.54 0.41 0.04 0.00 0.00 177.00 177.01 1ag6 n GLY 17 N -2.56 -0.78 2.65 0.56 0.00 -0.99 -4.85 105.19 99.21 1ag6 n GLY 17 Ca 0.07 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1ag6 n GLY 17 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ag6 s ASP 18 N -3.59 1.95 0.22 1.61 -1.08 -1.26 -0.56 116.67 113.97 1ag6 s ASP 18 Ca -0.02 -0.41 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 1ag6 s ASP 18 Cb 0.12 -0.11 -0.01 0.00 -1.46 0.00 0.00 42.92 41.46 1ag6 s ASP 18 CO 0.75 -0.33 0.41 0.72 0.52 0.00 0.00 175.17 177.24 1ag6 s PHE 19 N 2.18 0.41 0.05 -5.34 -0.71 -0.84 -5.00 117.98 108.72 1ag6 s PHE 19 Ca 0.03 -0.75 0.08 0.00 -1.04 0.00 0.00 56.93 55.25 1ag6 s PHE 19 Cb -0.15 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 1ag6 s PHE 19 CO -0.08 -0.89 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.55 1ag6 s SER 20 N -3.01 2.82 0.17 1.98 0.01 -1.26 -1.04 113.70 113.37 1ag6 s SER 20 Ca 0.22 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1ag6 s SER 20 Cb 0.01 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1ag6 s SER 20 CO 0.06 0.20 -0.02 0.68 0.41 0.00 0.00 173.24 174.57 1ag6 s VAL 21 N -0.83 0.80 0.40 3.43 -7.23 -0.42 -4.94 120.40 111.61 1ag6 s VAL 21 Ca 0.10 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1ag6 s VAL 21 Cb -0.09 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.68 1ag6 s VAL 21 CO 0.02 -0.52 0.85 0.00 -0.31 0.00 0.00 175.10 175.14 1ag6 s ALA 22 N -3.58 3.19 0.16 1.32 0.00 -1.26 -1.42 121.76 120.17 1ag6 s ALA 22 Ca 0.23 0.16 -0.34 0.00 0.00 0.00 0.00 51.96 52.01 1ag6 s ALA 22 Cb 0.05 -2.95 -0.15 0.00 0.00 0.00 0.00 23.12 20.08 1ag6 s ALA 22 CO 0.03 0.13 1.42 0.45 0.00 0.00 0.00 175.76 177.79 1ag6 n SER 23 N -0.77 2.40 0.00 0.00 2.88 -1.26 -1.71 113.62 115.16 1ag6 n SER 23 Ca 0.05 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1ag6 n SER 23 Cb 0.54 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 1ag6 n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ag6 n GLY 24 N 2.70 0.83 3.76 0.46 0.00 -0.30 -4.99 105.19 107.64 1ag6 n GLY 24 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1ag6 n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ag6 s GLU 25 N -0.16 4.61 0.25 1.61 2.12 -0.69 -4.91 118.70 121.54 1ag6 s GLU 25 Ca 0.00 1.23 -0.28 0.00 0.36 0.00 0.00 54.97 56.28 1ag6 s GLU 25 Cb 0.00 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 30.99 1ag6 s GLU 25 CO 0.00 0.45 0.91 -2.00 -0.54 0.00 0.00 175.26 174.08 1ag6 s GLU 26 N -0.73 4.71 -0.21 4.30 2.12 -1.26 -4.26 118.70 123.36 1ag6 s GLU 26 Ca 0.39 1.37 -0.04 0.00 0.36 0.00 0.00 54.97 57.04 1ag6 s GLU 26 Cb -0.23 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1ag6 s GLU 26 CO 0.27 0.45 -0.03 0.42 -0.54 0.00 0.00 175.26 175.83 1ag6 s ILE 27 N -1.32 3.54 -0.36 -3.70 1.01 0.16 -1.28 121.20 119.24 1ag6 s ILE 27 Ca 0.43 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.54 1ag6 s ILE 27 Cb -0.23 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.66 1ag6 s ILE 27 CO 0.28 0.42 0.17 -0.69 0.00 0.00 0.00 174.94 175.13 1ag6 s VAL 28 N 1.35 4.33 -0.25 2.92 1.01 -0.02 -1.29 120.40 128.45 1ag6 s VAL 28 Ca 0.04 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 1ag6 s VAL 28 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1ag6 s VAL 28 CO -0.01 -0.20 0.49 -0.36 0.00 0.00 0.00 175.10 175.01 1ag6 s PHE 29 N 1.51 3.29 -0.21 5.22 0.08 0.37 -0.33 117.98 127.91 1ag6 s PHE 29 Ca 0.01 0.62 -0.03 0.00 0.12 0.00 0.00 56.93 57.66 1ag6 s PHE 29 Cb -0.19 -2.68 -0.00 0.00 -0.57 0.00 0.00 43.02 39.58 1ag6 s PHE 29 CO 0.05 -0.23 -0.08 0.21 -0.10 0.00 0.00 175.22 175.08 1ag6 s LYS 30 N 2.10 3.31 0.18 0.44 2.20 0.15 -1.19 119.74 126.92 1ag6 s LYS 30 Ca 0.21 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 1ag6 s LYS 30 Cb -0.16 -2.90 -0.09 0.00 -1.51 0.00 0.00 37.83 33.17 1ag6 s LYS 30 CO 0.09 -0.17 1.37 1.21 -0.36 0.00 0.00 175.35 177.48 1ag6 s ASN 31 N 1.37 6.82 0.00 1.43 2.47 0.21 -1.09 114.94 126.16 1ag6 s ASN 31 Ca 0.05 2.42 0.00 0.00 0.42 0.00 0.00 52.86 55.75 1ag6 s ASN 31 Cb -0.14 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 1ag6 s ASN 31 CO -0.05 -0.61 0.00 -3.20 -3.72 0.00 0.00 177.10 169.53 1ag6 n ASN 32 N 3.08 0.00 -3.88 -4.21 5.15 -0.32 -0.70 115.26 114.39 1ag6 n ASN 32 Ca 0.08 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.97 1ag6 n ASN 32 Cb 0.42 -0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.62 1ag6 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ag6 s ALA 33 N -2.00 -0.51 -0.20 5.20 0.00 -1.09 -4.68 121.76 118.48 1ag6 s ALA 33 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ag6 s ALA 33 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.04 1ag6 s ALA 33 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1ag6 n GLY 34 N -0.33 0.52 3.70 0.00 0.00 -1.26 -4.20 105.19 103.63 1ag6 n GLY 34 Ca -0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1ag6 n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ag6 s PHE 35 N -1.92 2.01 0.59 1.61 -0.12 -1.26 -4.75 117.98 114.14 1ag6 s PHE 35 Ca 0.00 0.86 -0.19 0.00 -0.05 0.00 0.00 56.93 57.55 1ag6 s PHE 35 Cb 0.00 -3.35 -0.04 0.00 -0.63 0.00 0.00 43.02 39.00 1ag6 s PHE 35 CO 0.00 -2.88 1.20 -1.25 -0.05 0.00 0.00 175.22 172.25 1ag6 s PRO 36 N -5.14 3.02 0.08 1.99 0.04 -1.26 -5.07 135.00 128.65 1ag6 s PRO 36 Ca 0.66 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.52 1ag6 s PRO 36 Cb -0.16 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1ag6 s PRO 36 CO 0.56 -1.16 -0.06 -1.01 0.04 0.00 0.00 177.00 175.37 1ag6 s HIS 37 N -1.60 0.76 0.03 0.56 3.76 -0.98 -4.88 115.29 112.94 1ag6 s HIS 37 Ca 0.77 -0.87 -0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1ag6 s HIS 37 Cb -0.30 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 32.93 1ag6 s HIS 37 CO 0.33 -0.19 0.04 0.27 -0.85 0.00 0.00 174.74 174.33 1ag6 n ASN 38 N 0.28 -0.10 -3.69 1.40 6.94 -1.26 -0.36 115.26 118.45 1ag6 n ASN 38 Ca -0.15 -1.16 -0.24 0.00 -0.02 0.00 0.00 54.58 53.01 1ag6 n ASN 38 Cb 0.60 0.20 -0.17 0.00 -2.36 0.00 0.00 39.78 38.04 1ag6 n ASN 38 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ag6 s VAL 39 N -2.40 0.18 -0.02 3.53 1.01 -1.26 -4.04 120.40 117.39 1ag6 s VAL 39 Ca 0.03 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1ag6 s VAL 39 Cb -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1ag6 s VAL 39 CO 0.02 -0.03 -0.18 -0.69 0.00 0.00 0.00 175.10 174.22 1ag6 s VAL 40 N 2.03 1.41 0.03 2.92 1.01 -0.15 -1.35 120.40 126.31 1ag6 s VAL 40 Ca 0.03 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 1ag6 s VAL 40 Cb -0.15 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 1ag6 s VAL 40 CO -0.07 0.40 0.44 -0.36 0.00 0.00 0.00 175.10 175.52 1ag6 s PHE 41 N -0.25 3.71 -0.27 5.22 0.40 -1.26 -0.77 117.98 124.76 1ag6 s PHE 41 Ca 0.03 1.01 -0.27 0.00 -0.60 0.00 0.00 56.93 57.11 1ag6 s PHE 41 Cb -0.09 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.14 1ag6 s PHE 41 CO 0.00 0.60 0.93 0.34 0.70 0.00 0.00 175.22 177.80 1ag6 s ASP 42 N -1.22 6.89 0.28 1.36 -1.08 -0.65 -4.92 116.67 117.33 1ag6 s ASP 42 Ca 0.27 1.05 0.25 0.00 -0.52 0.00 0.00 52.55 53.60 1ag6 s ASP 42 Cb -0.17 -2.48 0.93 0.00 -1.46 0.00 0.00 42.92 39.74 1ag6 s ASP 42 CO 0.15 -0.66 1.76 1.05 0.52 0.00 0.00 175.17 177.98 1ag6 h GLU 43 N 7.81 0.00 0.00 4.34 4.11 -1.97 -0.16 114.58 128.71 1ag6 h GLU 43 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1ag6 h GLU 43 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ag6 h GLU 43 CO 0.94 0.00 -0.01 -0.25 0.07 0.00 0.00 179.01 179.76 1ag6 n ASP 44 N -2.37 0.74 -2.31 3.06 8.00 -1.26 -4.13 116.55 118.28 1ag6 n ASP 44 Ca 0.03 0.56 -0.17 0.00 0.71 0.00 0.00 54.79 55.92 1ag6 n ASP 44 Cb 0.32 -0.76 0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1ag6 n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ag6 n GLU 45 N -2.19 2.99 -4.37 -1.24 -0.58 -0.07 -5.04 120.64 110.14 1ag6 n GLU 45 Ca 0.06 -3.98 -0.18 0.00 -0.42 0.00 0.00 57.16 52.63 1ag6 n GLU 45 Cb 0.42 -2.05 -0.10 0.00 -0.57 0.00 0.00 31.44 29.13 1ag6 n GLU 45 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1ag6 s ILE 46 N -4.41 0.81 0.73 -3.67 -4.36 -1.22 -1.74 121.20 107.34 1ag6 s ILE 46 Ca 0.43 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.67 1ag6 s ILE 46 Cb 0.39 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.45 1ag6 s ILE 46 CO -0.00 -0.02 1.19 -2.84 0.24 0.00 0.00 174.94 173.51 1ag6 s PRO 47 N -3.97 2.19 0.37 0.37 0.02 -1.25 -4.94 135.00 127.78 1ag6 s PRO 47 Ca 0.37 1.70 -0.28 0.00 0.02 0.00 0.00 61.00 62.81 1ag6 s PRO 47 Cb 0.08 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 1ag6 s PRO 47 CO 0.14 -1.79 1.47 -1.12 -0.33 0.00 0.00 177.00 175.38 1ag6 s SER 48 N -2.13 6.39 0.00 2.53 0.01 -1.26 -2.26 113.70 116.98 1ag6 s SER 48 Ca 0.73 3.01 0.00 0.00 1.31 0.00 0.00 55.95 61.00 1ag6 s SER 48 Cb -0.28 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.29 1ag6 s SER 48 CO 0.45 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1ag6 n GLY 49 N 0.59 0.79 3.75 3.44 0.00 -1.26 -5.03 105.19 107.47 1ag6 n GLY 49 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1ag6 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ag6 s VAL 50 N -2.98 5.35 -0.34 1.61 1.01 -0.96 -5.07 120.40 119.03 1ag6 s VAL 50 Ca 0.00 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1ag6 s VAL 50 Cb 0.00 -3.41 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 1ag6 s VAL 50 CO 0.00 0.48 0.61 -0.62 0.00 0.00 0.00 175.10 175.57 1ag6 s ASP 51 N 0.08 6.44 0.57 3.32 -1.08 -1.26 -4.94 116.67 119.79 1ag6 s ASP 51 Ca 0.09 0.23 0.34 0.00 -0.52 0.00 0.00 52.55 52.68 1ag6 s ASP 51 Cb -0.11 -2.32 1.70 0.00 -1.46 0.00 0.00 42.92 40.73 1ag6 s ASP 51 CO -0.01 -0.53 2.13 0.00 0.52 0.00 0.00 175.17 177.29 1ag6 h ALA 52 N 8.36 1.14 0.00 3.66 0.00 -1.93 -2.43 119.26 128.05 1ag6 h ALA 52 Ca -0.27 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1ag6 h ALA 52 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ag6 h ALA 52 CO 0.81 0.07 -0.24 0.00 0.00 0.00 0.00 179.25 179.90 1ag6 h ALA 53 N 1.94 1.18 0.00 0.00 0.00 -1.92 -1.51 119.26 118.96 1ag6 h ALA 53 Ca -0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1ag6 h ALA 53 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ag6 h ALA 53 CO 0.01 0.30 -0.55 0.87 0.00 0.00 0.00 179.25 179.88 1ag6 h LYS 54 N 0.00 0.00 -0.00 0.00 1.57 -1.86 -3.30 116.57 112.98 1ag6 h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ag6 h LYS 54 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ag6 h LYS 54 CO 0.03 0.55 -0.65 0.44 -0.57 0.00 0.00 179.45 179.24 1ag6 n ILE 55 N -3.30 0.00 -3.44 1.86 -5.35 -0.98 -4.99 119.36 103.16 1ag6 n ILE 55 Ca 0.01 -0.17 -0.30 0.00 -0.27 0.00 0.00 62.75 62.02 1ag6 n ILE 55 Cb 0.72 1.00 -0.04 0.00 -1.74 0.00 0.00 39.64 39.59 1ag6 n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1ag6 s SER 56 N -2.31 6.48 0.65 7.28 0.01 -0.60 -4.82 113.70 120.39 1ag6 s SER 56 Ca 0.05 0.71 -0.17 0.00 1.31 0.00 0.00 55.95 57.85 1ag6 s SER 56 Cb 0.11 -2.14 -0.00 0.00 0.21 0.00 0.00 66.02 64.19 1ag6 s SER 56 CO 0.57 -0.12 1.18 -0.04 0.41 0.00 0.00 173.24 175.24 1ag6 s MET 57 N -3.24 2.68 0.51 12.44 -1.94 -0.46 -4.94 119.30 124.35 1ag6 s MET 57 Ca 0.44 1.69 -0.23 0.00 -1.71 0.00 0.00 55.69 55.88 1ag6 s MET 57 Cb -0.11 -1.91 -0.07 0.00 2.01 0.00 0.00 34.83 34.76 1ag6 s MET 57 CO 0.27 -1.41 1.33 0.45 -0.01 0.00 0.00 175.02 175.66 1ag6 n SER 58 N -2.14 2.67 0.18 3.03 2.88 -1.26 -4.90 113.62 114.08 1ag6 n SER 58 Ca 0.13 1.02 0.04 0.00 -1.33 0.00 0.00 58.87 58.73 1ag6 n SER 58 Cb 0.50 -1.56 0.44 0.00 -0.75 0.00 0.00 64.21 62.85 1ag6 n SER 58 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1ag6 h GLU 59 N 1.67 0.09 -0.02 -1.46 4.22 -1.99 -2.05 114.58 115.04 1ag6 h GLU 59 Ca -0.50 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1ag6 h GLU 59 Cb 1.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ag6 h GLU 59 CO 0.58 0.28 -0.14 -0.85 -2.18 0.00 0.00 179.01 176.69 1ag6 n GLU 60 N -4.28 1.52 -3.12 1.92 0.00 -1.26 -4.80 120.64 110.61 1ag6 n GLU 60 Ca -0.02 -1.05 -0.43 0.00 0.00 0.00 0.00 57.16 55.66 1ag6 n GLU 60 Cb 0.27 -1.48 -0.07 0.00 0.00 0.00 0.00 31.44 30.17 1ag6 n GLU 60 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ag6 s ASP 61 N -2.21 6.33 0.08 -1.84 2.15 -0.77 -5.04 116.67 115.37 1ag6 s ASP 61 Ca 0.29 -0.29 0.08 0.00 0.43 0.00 0.00 52.55 53.07 1ag6 s ASP 61 Cb 0.20 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1ag6 s ASP 61 CO 0.41 -0.74 -0.20 -0.76 -0.17 0.00 0.00 175.17 173.71 1ag6 s LEU 62 N 2.77 2.56 -0.26 -1.34 1.43 -1.26 -4.74 118.68 117.84 1ag6 s LEU 62 Ca 0.22 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1ag6 s LEU 62 Cb -0.14 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1ag6 s LEU 62 CO 0.18 0.22 0.71 -0.76 0.23 0.00 0.00 176.35 176.94 1ag6 s LEU 63 N -1.74 4.08 -0.03 1.79 1.43 0.51 -4.92 118.68 119.79 1ag6 s LEU 63 Ca 0.15 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1ag6 s LEU 63 Cb -0.10 -2.99 0.06 0.00 0.03 0.00 0.00 46.19 43.19 1ag6 s LEU 63 CO 0.07 -0.46 0.95 0.59 0.23 0.00 0.00 176.35 177.73 1ag6 n ASN 64 N 5.89 1.65 -3.94 2.29 3.02 -1.26 -2.31 115.26 120.60 1ag6 n ASN 64 Ca 0.02 -2.06 -0.11 0.00 -0.03 0.00 0.00 54.58 52.41 1ag6 n ASN 64 Cb 0.48 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 1ag6 n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ag6 s ALA 65 N -1.16 0.11 0.11 5.41 0.00 -1.26 -4.96 121.76 120.01 1ag6 s ALA 65 Ca 0.06 -0.36 -0.36 0.00 0.00 0.00 0.00 51.96 51.31 1ag6 s ALA 65 Cb 0.06 0.08 -0.15 0.00 0.00 0.00 0.00 23.12 23.10 1ag6 s ALA 65 CO 0.01 -0.08 1.45 -2.30 0.00 0.00 0.00 175.76 174.84 1ag6 n PRO 66 N 2.21 1.58 0.00 0.00 -0.02 -1.26 -2.73 135.00 134.77 1ag6 n PRO 66 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1ag6 n PRO 66 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1ag6 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ag6 n GLY 67 N 2.95 1.77 3.72 -1.23 0.00 0.12 -4.99 105.19 107.54 1ag6 n GLY 67 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ag6 n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ag6 n GLU 68 N -2.00 1.72 -4.34 1.61 1.02 -1.10 -4.57 120.64 112.98 1ag6 n GLU 68 Ca 0.00 0.63 -0.19 0.00 -0.02 0.00 0.00 57.16 57.57 1ag6 n GLU 68 Cb 0.00 -2.48 -0.10 0.00 -0.02 0.00 0.00 31.44 28.84 1ag6 n GLU 68 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1ag6 s THR 69 N -1.28 1.77 -0.08 2.62 -4.23 -1.26 -0.62 115.64 112.57 1ag6 s THR 69 Ca 0.68 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1ag6 s THR 69 Cb -0.45 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.41 1ag6 s THR 69 CO 0.52 -0.53 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.49 1ag6 s TYR 70 N -2.75 1.47 -0.07 3.99 5.04 -0.33 -4.99 117.35 119.71 1ag6 s TYR 70 Ca 0.21 -0.60 0.04 0.00 -2.44 0.00 0.00 57.07 54.28 1ag6 s TYR 70 Cb -0.02 -1.11 -0.02 0.00 0.35 0.00 0.00 41.96 41.16 1ag6 s TYR 70 CO 0.07 -0.34 -0.19 0.15 -1.34 0.00 0.00 175.55 173.90 1ag6 s LYS 71 N 0.93 2.76 0.00 4.97 1.02 -1.26 -0.48 119.74 127.68 1ag6 s LYS 71 Ca -0.10 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.02 1ag6 s LYS 71 Cb -0.15 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 1ag6 s LYS 71 CO 0.01 0.40 0.16 0.54 -0.92 0.00 0.00 175.35 175.53 1ag6 s VAL 72 N -0.17 0.08 -0.07 3.17 0.11 -0.41 -4.99 120.40 118.12 1ag6 s VAL 72 Ca -0.02 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 1ag6 s VAL 72 Cb -0.14 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1ag6 s VAL 72 CO 0.04 -0.37 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.38 1ag6 s THR 73 N -1.41 1.51 -0.09 5.04 2.01 -1.26 -0.67 115.64 120.77 1ag6 s THR 73 Ca -0.14 -0.71 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 1ag6 s THR 73 Cb -0.07 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1ag6 s THR 73 CO 0.02 0.44 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.56 1ag6 s LEU 74 N 0.42 3.16 -0.02 4.42 1.43 -1.26 -4.98 118.68 121.85 1ag6 s LEU 74 Ca -0.14 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1ag6 s LEU 74 Cb -0.16 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1ag6 s LEU 74 CO 0.05 0.31 -0.00 0.35 0.23 0.00 0.00 176.35 177.29 1ag6 n THR 75 N 2.58 0.10 -2.30 5.49 -2.24 -1.26 -1.15 114.28 115.50 1ag6 n THR 75 Ca -0.18 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1ag6 n THR 75 Cb 0.53 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1ag6 n THR 75 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ag6 s GLU 76 N -2.04 4.34 0.56 -0.78 2.56 -1.26 -4.72 118.70 117.37 1ag6 s GLU 76 Ca -0.02 1.89 -0.19 0.00 0.00 0.00 0.00 54.97 56.66 1ag6 s GLU 76 Cb 0.01 -3.43 -0.05 0.00 2.00 0.00 0.00 34.13 32.65 1ag6 s GLU 76 CO 0.05 -0.44 1.16 0.15 -0.56 0.00 0.00 175.26 175.63 1ag6 s LYS 77 N 1.70 3.22 0.00 4.30 1.02 -1.26 -4.81 119.74 123.91 1ag6 s LYS 77 Ca 0.61 1.70 0.00 0.00 0.02 0.00 0.00 55.97 58.30 1ag6 s LYS 77 Cb -0.31 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1ag6 s LYS 77 CO 0.27 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 174.14 1ag6 n GLY 78 N 0.30 0.90 3.66 -3.33 0.00 -0.26 -4.84 105.19 101.62 1ag6 n GLY 78 Ca 0.12 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 1ag6 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ag6 s THR 79 N -1.63 4.15 -0.10 2.61 -4.23 -1.26 -0.39 115.64 114.79 1ag6 s THR 79 Ca 0.00 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1ag6 s THR 79 Cb 0.00 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1ag6 s THR 79 CO 0.00 0.60 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.24 1ag6 s TYR 80 N -0.87 1.75 -0.09 3.99 1.51 -0.03 -3.87 117.35 119.74 1ag6 s TYR 80 Ca 0.13 -0.82 -0.16 0.00 -1.01 0.00 0.00 57.07 55.22 1ag6 s TYR 80 Cb -0.11 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.38 1ag6 s TYR 80 CO 0.02 -0.45 0.41 0.21 -1.11 0.00 0.00 175.55 174.62 1ag6 s LYS 81 N 1.11 4.18 0.22 -0.62 2.20 -0.71 -0.90 119.74 125.23 1ag6 s LYS 81 Ca -0.05 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 1ag6 s LYS 81 Cb -0.14 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1ag6 s LYS 81 CO -0.03 0.35 0.08 -0.59 -0.36 0.00 0.00 175.35 174.80 1ag6 s PHE 82 N 0.05 1.37 0.21 4.03 -0.12 -0.58 -1.63 117.98 121.32 1ag6 s PHE 82 Ca 0.23 -1.18 -0.15 0.00 -0.05 0.00 0.00 56.93 55.78 1ag6 s PHE 82 Cb -0.15 -0.78 0.01 0.00 -0.63 0.00 0.00 43.02 41.47 1ag6 s PHE 82 CO 0.09 -0.37 0.49 1.52 -0.05 0.00 0.00 175.22 176.90 1ag6 s TYR 83 N -3.82 0.11 -0.32 3.49 1.13 0.05 -0.59 117.35 117.41 1ag6 s TYR 83 Ca 0.34 -0.47 -0.15 0.00 -1.41 0.00 0.00 57.07 55.38 1ag6 s TYR 83 Cb 0.07 0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 41.19 1ag6 s TYR 83 CO 0.11 -0.94 0.37 0.00 -2.51 0.00 0.00 175.55 172.58 1ag6 h SER 85 N 8.37 -0.49 0.11 0.00 0.87 -1.89 -0.23 113.55 120.28 1ag6 h SER 85 Ca -0.30 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1ag6 h SER 85 Cb 1.15 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1ag6 h SER 85 CO 0.68 -0.19 -0.05 1.55 -0.53 0.00 0.00 176.83 178.28 1ag6 h PRO 86 N -0.16 0.00 -0.14 2.24 0.13 -1.95 -3.00 132.00 129.12 1ag6 h PRO 86 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ag6 h PRO 86 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1ag6 h PRO 86 CO -0.29 0.05 0.00 0.72 -0.23 0.00 0.00 178.00 178.25 1ag6 n HIS 87 N -4.00 0.35 -0.20 1.56 8.25 -0.61 -4.72 115.22 115.85 1ag6 n HIS 87 Ca -0.03 -0.75 -0.09 0.00 -0.26 0.00 0.00 57.72 56.59 1ag6 n HIS 87 Cb 0.14 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.12 1ag6 n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1ag6 h GLN 88 N 0.90 0.98 0.00 -0.41 4.15 -0.93 -1.53 115.11 118.27 1ag6 h GLN 88 Ca 0.00 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 1ag6 h GLN 88 Cb 0.95 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.54 1ag6 h GLN 88 CO 0.06 0.97 -0.06 0.78 -1.93 0.00 0.00 178.83 178.65 1ag6 h GLY 89 N 0.87 0.00 -0.17 2.39 0.00 -1.84 -2.50 103.07 101.82 1ag6 h GLY 89 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1ag6 h GLY 89 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1ag6 n ALA 90 N -2.34 2.57 0.00 3.60 0.00 -0.64 -4.90 120.51 118.81 1ag6 n ALA 90 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ag6 n ALA 90 Cb 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1ag6 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ag6 n GLY 91 N 1.03 1.02 3.47 0.00 0.00 -0.94 -4.95 105.19 104.82 1ag6 n GLY 91 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1ag6 n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ag6 s MET 92 N -0.68 3.92 0.05 1.61 -2.45 -0.84 -4.89 119.30 116.02 1ag6 s MET 92 Ca 0.00 -2.24 0.01 0.00 -1.25 0.00 0.00 55.69 52.21 1ag6 s MET 92 Cb 0.00 -5.07 -0.03 0.00 1.25 0.00 0.00 34.83 30.99 1ag6 s MET 92 CO 0.00 -1.82 -0.05 0.14 1.05 0.00 0.00 175.02 174.33 1ag6 s VAL 93 N 2.24 0.40 0.29 10.11 -7.23 -1.26 -1.68 120.40 123.27 1ag6 s VAL 93 Ca 0.41 -1.34 -0.09 0.00 -1.81 0.00 0.00 61.98 59.15 1ag6 s VAL 93 Cb -0.03 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.02 1ag6 s VAL 93 CO -0.03 -0.62 0.49 -0.83 -0.31 0.00 0.00 175.10 173.80 1ag6 s GLY 94 N -2.08 0.90 -0.02 2.32 0.00 0.25 -4.68 107.32 104.01 1ag6 s GLY 94 Ca -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.53 1ag6 s GLY 94 CO -0.03 -0.77 0.04 1.25 0.00 0.00 0.00 173.10 173.59 1ag6 s LYS 95 N -3.52 0.01 -0.07 2.90 2.20 0.27 -1.52 119.74 120.02 1ag6 s LYS 95 Ca 0.25 0.12 0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1ag6 s LYS 95 Cb -0.01 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.22 1ag6 s LYS 95 CO 0.13 -0.07 -0.18 0.54 -0.36 0.00 0.00 175.35 175.41 1ag6 s VAL 96 N 0.48 1.58 -0.21 4.02 0.11 -0.08 -1.99 120.40 124.31 1ag6 s VAL 96 Ca -0.04 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.16 1ag6 s VAL 96 Cb -0.06 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 1ag6 s VAL 96 CO -0.02 0.45 0.11 -0.89 -3.33 0.00 0.00 175.10 171.43 1ag6 s THR 97 N 0.29 5.08 -0.24 5.04 2.01 -0.21 -0.85 115.64 126.75 1ag6 s THR 97 Ca -0.11 0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1ag6 s THR 97 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1ag6 s THR 97 CO 0.05 0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.80 1ag6 s VAL 98 N 0.71 4.73 0.00 3.82 1.01 0.48 -1.30 120.40 129.85 1ag6 s VAL 98 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ag6 s VAL 98 Cb -0.13 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1ag6 s VAL 98 CO 0.02 0.34 0.33 -0.46 0.00 0.00 0.00 175.10 175.32