#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 s SER 2 N 0.00 -0.07 0.05 1.61 1.04 -1.26 -5.18 113.70 109.88 2dn8 s SER 2 Ca 0.00 0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.36 2dn8 s SER 2 Cb 0.00 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.44 2dn8 s SER 2 CO 0.00 -0.02 0.48 -0.94 0.98 0.00 0.00 173.24 173.74 2dn8 s SER 3 N 0.19 -0.39 -0.31 7.02 1.04 -1.26 -5.14 113.70 114.86 2dn8 s SER 3 Ca 0.05 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.57 2dn8 s SER 3 Cb -0.05 0.47 0.19 0.00 0.10 0.00 0.00 66.02 66.74 2dn8 s SER 3 CO -0.15 -0.70 0.83 -0.83 0.98 0.00 0.00 173.24 173.37 2dn8 s GLY 4 N -1.99 -1.16 -0.62 7.32 0.00 -1.26 -5.10 107.32 104.51 2dn8 s GLY 4 Ca -0.05 1.41 0.04 0.00 0.00 0.00 0.00 44.72 46.12 2dn8 s GLY 4 CO -0.02 3.92 0.39 -0.56 0.00 0.00 0.00 173.10 176.83 2dn8 s SER 5 N 2.68 4.66 -0.12 1.64 0.01 -1.26 -5.07 113.70 116.24 2dn8 s SER 5 Ca 0.18 -3.40 -0.38 0.00 1.31 0.00 0.00 55.95 53.66 2dn8 s SER 5 Cb -0.05 -1.66 -0.16 0.00 0.21 0.00 0.00 66.02 64.36 2dn8 s SER 5 CO -0.21 -0.17 1.59 -0.24 0.41 0.00 0.00 173.24 174.61 2dn8 n SER 6 N 2.61 2.18 -4.54 2.44 2.88 -1.26 -4.76 113.62 113.18 2dn8 n SER 6 Ca 0.12 1.09 -0.47 0.00 -1.33 0.00 0.00 58.87 58.27 2dn8 n SER 6 Cb 0.34 -1.18 -0.05 0.00 -0.75 0.00 0.00 64.21 62.57 2dn8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn8 n GLY 7 N 3.55 0.85 3.41 0.46 0.00 -1.26 -4.77 105.19 107.42 2dn8 n GLY 7 Ca 0.23 0.87 -0.50 0.00 0.00 0.00 0.00 46.02 46.61 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dn8 n THR 8 N 7.09 0.08 -3.31 2.61 -2.24 -1.26 -4.83 114.28 112.43 2dn8 n THR 8 Ca 0.34 -0.20 -0.44 0.00 -2.27 0.00 0.00 64.05 61.48 2dn8 n THR 8 Cb 0.32 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2dn8 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n VAL 10 N 2.44 2.60 -2.49 0.00 0.24 -1.26 -4.96 118.33 114.89 2dn8 n VAL 10 Ca 0.24 -5.39 -0.03 0.00 -2.04 0.00 0.00 64.34 57.12 2dn8 n VAL 10 Cb 0.38 -1.50 -0.03 0.00 -1.47 0.00 0.00 33.84 31.22 2dn8 n VAL 10 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2dn8 n PHE 11 N 0.09 -3.74 -3.02 6.34 7.35 -1.26 -4.59 117.46 118.62 2dn8 n PHE 11 Ca 0.30 1.98 0.00 0.00 -0.76 0.00 0.00 57.45 58.97 2dn8 n PHE 11 Cb 0.42 -3.65 0.00 0.00 0.35 0.00 0.00 39.48 36.60 2dn8 n PHE 11 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2dn8 n GLU 12 N 1.12 -0.27 -3.41 -4.13 1.02 -1.26 -4.97 120.64 108.75 2dn8 n GLU 12 Ca -0.22 0.73 -0.23 0.00 -0.02 0.00 0.00 57.16 57.42 2dn8 n GLU 12 Cb 0.34 -0.91 -0.10 0.00 -0.02 0.00 0.00 31.44 30.76 2dn8 n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2dn8 s LYS 13 N -0.90 0.60 -0.07 3.49 -0.14 -1.26 -5.11 119.74 116.35 2dn8 s LYS 13 Ca 0.00 -1.08 -0.01 0.00 -1.36 0.00 0.00 55.97 53.52 2dn8 s LYS 13 Cb 0.00 -0.99 0.03 0.00 -1.68 0.00 0.00 37.83 35.19 2dn8 s LYS 13 CO 0.00 -1.20 -0.01 -1.21 -0.76 0.00 0.00 175.35 172.17 2dn8 s GLU 14 N 1.26 0.68 -0.02 1.68 2.02 -1.26 -4.70 118.70 118.35 2dn8 s GLU 14 Ca 0.17 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2dn8 s GLU 14 Cb -0.19 -0.95 0.02 0.00 0.10 0.00 0.00 34.13 33.11 2dn8 s GLU 14 CO -0.01 -0.25 0.01 -0.80 0.02 0.00 0.00 175.26 174.22 2dn8 s ASN 15 N 1.73 0.26 0.00 -0.19 0.01 -1.26 -5.06 114.94 110.43 2dn8 s ASN 15 Ca 0.01 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.16 2dn8 s ASN 15 Cb -0.13 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.40 2dn8 s ASN 15 CO -0.04 -0.08 0.00 -0.90 -1.51 0.00 0.00 177.10 174.57 2dn8 n ASP 16 N 3.90 0.00 0.00 -1.22 5.68 -1.26 -5.01 116.55 118.64 2dn8 n ASP 16 Ca -0.24 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.17 2dn8 n ASP 16 Cb 0.52 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.15 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 2dn8 n PRO 17 N 0.00 0.56 -1.75 0.11 -0.04 -1.26 -3.21 135.00 129.41 2dn8 n PRO 17 Ca 0.00 0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.16 2dn8 n PRO 17 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 2dn8 n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dn8 n THR 18 N -1.12 3.29 -3.93 0.52 -2.24 -1.26 -4.91 114.28 104.62 2dn8 n THR 18 Ca 0.15 -3.77 -0.26 0.00 -2.27 0.00 0.00 64.05 57.90 2dn8 n THR 18 Cb 0.13 -1.19 -0.17 0.00 -2.10 0.00 0.00 70.33 66.99 2dn8 n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dn8 s VAL 19 N -4.94 0.91 -0.92 2.28 0.11 -1.20 -3.24 120.40 113.39 2dn8 s VAL 19 Ca 0.57 -0.22 -0.20 0.00 -2.93 0.00 0.00 61.98 59.20 2dn8 s VAL 19 Cb 0.46 -0.94 0.11 0.00 -1.53 0.00 0.00 36.38 34.48 2dn8 s VAL 19 CO -0.14 0.34 1.18 -0.76 -3.33 0.00 0.00 175.10 172.40 2dn8 s LEU 20 N 1.67 4.66 0.31 2.54 1.43 -0.33 -4.89 118.68 124.06 2dn8 s LEU 20 Ca 0.03 -1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 51.20 2dn8 s LEU 20 Cb -0.13 -2.44 -0.08 0.00 0.03 0.00 0.00 46.19 43.58 2dn8 s LEU 20 CO -0.07 -1.19 0.68 -0.13 0.23 0.00 0.00 176.35 175.87 2dn8 s ARG 21 N 3.30 3.90 0.22 1.70 0.52 -1.26 -1.68 118.95 125.65 2dn8 s ARG 21 Ca 0.34 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.76 2dn8 s ARG 21 Cb -0.05 -2.49 -0.09 0.00 0.52 0.00 0.00 34.95 32.84 2dn8 s ARG 21 CO -0.08 0.17 0.99 0.45 0.02 0.00 0.00 175.30 176.85 2dn8 s SER 22 N -2.47 7.53 0.34 0.23 0.15 -0.63 -4.93 113.70 113.92 2dn8 s SER 22 Ca 0.51 2.00 0.18 0.00 0.70 0.00 0.00 55.95 59.34 2dn8 s SER 22 Cb -0.10 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.07 2dn8 s SER 22 CO 0.21 0.04 1.63 1.55 1.20 0.00 0.00 173.24 177.87 2dn8 h PRO 23 N 4.38 0.00 -2.11 5.44 0.13 -1.93 -2.84 132.00 135.07 2dn8 h PRO 23 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 2dn8 h PRO 23 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2dn8 h PRO 23 CO 0.69 0.42 0.36 -1.12 -0.23 0.00 0.00 178.00 178.12 2dn8 s SER 24 N -6.42 -0.50 1.10 1.44 0.01 -1.26 -4.75 113.70 103.32 2dn8 s SER 24 Ca 0.01 0.35 -0.20 0.00 1.31 0.00 0.00 55.95 57.43 2dn8 s SER 24 Cb 0.10 0.45 0.07 0.00 0.21 0.00 0.00 66.02 66.85 2dn8 s SER 24 CO 0.70 -0.60 -0.20 0.00 0.41 0.00 0.00 173.24 173.56 2dn8 n ALA 25 N 0.39 -4.24 0.00 1.44 0.00 -1.26 -4.46 120.51 112.39 2dn8 n ALA 25 Ca -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2dn8 n ALA 25 Cb 0.60 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2dn8 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 26 N 2.26 -0.61 3.32 0.00 0.00 0.87 -4.66 105.19 106.37 2dn8 n GLY 26 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2dn8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn8 s LYS 27 N -1.22 0.51 0.81 1.61 1.02 0.30 -2.18 119.74 120.59 2dn8 s LYS 27 Ca 0.00 1.12 -0.12 0.00 0.02 0.00 0.00 55.97 56.99 2dn8 s LYS 27 Cb 0.00 0.52 0.08 0.00 -0.52 0.00 0.00 37.83 37.91 2dn8 s LYS 27 CO 0.00 -0.42 1.14 -1.17 -0.92 0.00 0.00 175.35 173.99 2dn8 s LEU 28 N 2.80 3.06 0.21 3.17 2.96 -0.96 -0.26 118.68 129.66 2dn8 s LEU 28 Ca 0.07 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2dn8 s LEU 28 Cb -0.14 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.00 2dn8 s LEU 28 CO -0.18 -2.48 0.00 0.35 -1.32 0.00 0.00 176.35 172.72 2dn8 n THR 29 N -3.51 0.07 -3.74 3.68 -2.24 -1.26 -3.31 114.28 103.97 2dn8 n THR 29 Ca 0.11 0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 2dn8 n THR 29 Cb 0.52 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 s GLN 30 N -2.00 0.15 0.36 -0.78 -2.07 -1.26 -4.07 119.66 110.00 2dn8 s GLN 30 Ca 0.00 -0.09 0.07 0.00 -1.82 0.00 0.00 55.36 53.52 2dn8 s GLN 30 Cb 0.00 0.05 -0.01 0.00 -1.09 0.00 0.00 33.01 31.95 2dn8 s GLN 30 CO 0.00 -0.07 0.42 1.52 -1.32 0.00 0.00 175.29 175.84 2dn8 s TYR 31 N -2.10 2.94 -0.72 9.60 -0.85 -1.26 -3.12 117.35 121.85 2dn8 s TYR 31 Ca 0.21 -0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.52 2dn8 s TYR 31 Cb 0.04 -2.02 0.20 0.00 0.38 0.00 0.00 41.96 40.56 2dn8 s TYR 31 CO -0.04 -0.04 1.12 0.25 -1.52 0.00 0.00 175.55 175.32 2dn8 n THR 32 N -1.58 0.85 -4.36 -3.49 -2.24 0.25 -4.90 114.28 98.81 2dn8 n THR 32 Ca 0.01 -0.93 -0.21 0.00 -2.27 0.00 0.00 64.05 60.66 2dn8 n THR 32 Cb 0.59 0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 69.31 2dn8 n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dn8 s VAL 33 N -0.95 1.91 0.91 2.28 -7.23 -1.24 -4.99 120.40 111.08 2dn8 s VAL 33 Ca 0.16 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.11 2dn8 s VAL 33 Cb 0.08 -1.99 0.20 0.00 0.56 0.00 0.00 36.38 35.23 2dn8 s VAL 33 CO 0.11 -0.42 1.24 -1.84 -0.31 0.00 0.00 175.10 173.88 2dn8 n GLU 34 N -0.09 -0.91 -1.65 4.82 0.28 -1.26 -4.82 120.64 117.01 2dn8 n GLU 34 Ca -0.10 -2.32 -0.54 0.00 -0.16 0.00 0.00 57.16 54.04 2dn8 n GLU 34 Cb 0.59 -1.15 -0.06 0.00 1.43 0.00 0.00 31.44 32.25 2dn8 n GLU 34 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dn8 n ASP 35 N -3.54 2.13 -3.23 -1.84 2.03 -1.26 0.65 116.55 111.50 2dn8 n ASP 35 Ca 0.17 1.09 -0.23 0.00 0.52 0.00 0.00 54.79 56.34 2dn8 n ASP 35 Cb 0.59 -1.19 0.03 0.00 -0.72 0.00 0.00 41.12 39.83 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dn8 n GLY 36 N 3.40 -0.51 3.66 0.27 0.00 -1.18 -4.86 105.19 105.97 2dn8 n GLY 36 Ca 0.22 0.13 -0.47 0.00 0.00 0.00 0.00 46.02 45.91 2dn8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dn8 n GLY 37 N -1.45 0.93 3.40 -0.02 0.00 0.21 -4.60 105.19 103.67 2dn8 n GLY 37 Ca -0.06 0.63 -0.42 0.00 0.00 0.00 0.00 46.02 46.16 2dn8 n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dn8 s HIS 38 N 0.63 3.25 0.31 1.61 2.46 -1.26 -0.39 115.29 121.90 2dn8 s HIS 38 Ca 0.77 -0.85 0.02 0.00 0.47 0.00 0.00 55.06 55.47 2dn8 s HIS 38 Cb -0.72 -2.65 0.02 0.00 -0.13 0.00 0.00 32.58 29.10 2dn8 s HIS 38 CO 0.42 -0.66 0.17 1.33 -2.47 0.00 0.00 174.74 173.53 2dn8 n VAL 39 N 5.09 0.00 -4.20 0.89 0.24 -1.15 -5.03 118.33 114.16 2dn8 n VAL 39 Ca -0.11 -1.28 -0.25 0.00 -2.04 0.00 0.00 64.34 60.65 2dn8 n VAL 39 Cb 0.46 -0.10 -0.07 0.00 -1.47 0.00 0.00 33.84 32.66 2dn8 n VAL 39 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2dn8 s GLU 40 N -3.23 2.49 -0.74 7.34 -1.05 -1.26 -3.72 118.70 118.52 2dn8 s GLU 40 Ca 0.13 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.56 2dn8 s GLU 40 Cb -0.01 -2.37 -0.07 0.00 -0.44 0.00 0.00 34.13 31.24 2dn8 s GLU 40 CO 0.08 0.44 2.14 0.00 0.95 0.00 0.00 175.26 178.87 2dn8 s ALA 41 N -1.88 1.48 0.00 -0.84 0.00 -1.26 -0.76 121.76 118.51 2dn8 s ALA 41 Ca 0.29 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2dn8 s ALA 41 Cb -0.09 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2dn8 s ALA 41 CO 0.20 -4.89 0.00 0.41 0.00 0.00 0.00 175.76 171.48 2dn8 n GLY 42 N 6.47 0.85 1.70 0.00 0.00 -1.26 -4.85 105.19 108.09 2dn8 n GLY 42 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2dn8 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn8 n SER 43 N 0.00 0.07 -4.30 1.61 7.64 0.07 -4.88 113.62 113.83 2dn8 n SER 43 Ca 0.00 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.34 2dn8 n SER 43 Cb 0.00 -0.44 -0.16 0.00 -1.01 0.00 0.00 64.21 62.60 2dn8 n SER 43 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn8 s SER 44 N -3.13 3.18 -0.00 6.43 1.04 -1.26 -3.10 113.70 116.87 2dn8 s SER 44 Ca 0.33 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.34 2dn8 s SER 44 Cb -0.01 -0.77 -0.07 0.00 0.10 0.00 0.00 66.02 65.27 2dn8 s SER 44 CO 0.23 0.27 0.16 0.00 0.98 0.00 0.00 173.24 174.88 2dn8 n TYR 45 N 2.81 0.00 -3.39 5.02 0.18 -0.89 -4.80 117.16 116.09 2dn8 n TYR 45 Ca -0.17 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.59 2dn8 n TYR 45 Cb 0.52 -0.07 0.01 0.00 -0.38 0.00 0.00 39.34 39.42 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 n ALA 46 N -1.44 -0.67 -2.49 -3.48 0.00 -1.23 -0.58 120.51 110.62 2dn8 n ALA 46 Ca -0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 2dn8 n ALA 46 Cb 0.12 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 2dn8 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dn8 s GLU 47 N -2.02 1.84 0.10 0.00 2.02 -1.18 0.13 118.70 119.59 2dn8 s GLU 47 Ca 0.06 -1.96 -0.22 0.00 0.02 0.00 0.00 54.97 52.88 2dn8 s GLU 47 Cb -0.01 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.64 2dn8 s GLU 47 CO 0.03 -0.71 0.53 0.00 0.02 0.00 0.00 175.26 175.13 2dn8 s MET 48 N -3.26 1.13 -0.23 1.61 0.23 0.20 -4.24 119.30 114.74 2dn8 s MET 48 Ca 0.38 -0.39 0.02 0.00 -1.03 0.00 0.00 55.69 54.66 2dn8 s MET 48 Cb 0.01 0.51 0.05 0.00 -1.53 0.00 0.00 34.83 33.87 2dn8 s MET 48 CO 0.26 -0.45 -0.14 -2.00 -2.03 0.00 0.00 175.02 170.67 2dn8 s GLU 49 N -3.13 2.51 0.02 3.16 2.12 0.64 0.12 118.70 124.14 2dn8 s GLU 49 Ca -0.02 -1.16 0.03 0.00 0.36 0.00 0.00 54.97 54.18 2dn8 s GLU 49 Cb -0.00 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 2dn8 s GLU 49 CO -0.07 -0.45 -0.09 0.54 -0.54 0.00 0.00 175.26 174.65 2dn8 s VAL 50 N 1.17 0.72 -1.39 3.70 0.11 0.19 0.11 120.40 125.01 2dn8 s VAL 50 Ca -0.04 -0.69 -0.08 0.00 -2.93 0.00 0.00 61.98 58.24 2dn8 s VAL 50 Cb -0.18 -0.67 0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2dn8 s VAL 50 CO -0.08 -0.01 0.57 0.23 -3.33 0.00 0.00 175.10 172.48 2dn8 n MET 51 N 2.28 -4.10 -2.01 1.54 2.81 -1.26 0.79 117.12 117.17 2dn8 n MET 51 Ca -0.17 0.64 -0.17 0.00 -1.81 0.00 0.00 57.70 56.19 2dn8 n MET 51 Cb 0.56 -5.42 -0.03 0.00 -0.71 0.00 0.00 33.22 27.62 2dn8 n MET 51 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dn8 n LYS 52 N -3.90 -1.27 -4.62 0.03 5.02 -1.26 -4.98 118.16 107.18 2dn8 n LYS 52 Ca -0.05 0.91 -0.23 0.00 -2.02 0.00 0.00 58.31 56.93 2dn8 n LYS 52 Cb 0.57 -5.26 -0.16 0.00 -0.02 0.00 0.00 35.03 30.16 2dn8 n LYS 52 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dn8 s MET 53 N -4.31 1.29 -0.23 1.97 -1.94 0.24 -5.12 119.30 111.20 2dn8 s MET 53 Ca 0.00 -0.47 -0.19 0.00 -1.71 0.00 0.00 55.69 53.32 2dn8 s MET 53 Cb 0.00 -1.18 -0.02 0.00 2.01 0.00 0.00 34.83 35.63 2dn8 s MET 53 CO 0.00 0.21 0.58 0.42 -0.01 0.00 0.00 175.02 176.22 2dn8 s ILE 54 N -0.01 5.04 -0.02 2.53 -1.09 -1.26 0.52 121.20 126.91 2dn8 s ILE 54 Ca -0.01 1.04 0.07 0.00 -2.23 0.00 0.00 60.65 59.52 2dn8 s ILE 54 Cb -0.09 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2dn8 s ILE 54 CO 0.01 0.09 -0.22 -0.04 -1.23 0.00 0.00 174.94 173.54 2dn8 s MET 55 N 2.15 1.83 0.39 2.79 -1.94 0.32 -4.97 119.30 119.88 2dn8 s MET 55 Ca 0.25 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.19 2dn8 s MET 55 Cb -0.16 -1.77 -0.09 0.00 2.01 0.00 0.00 34.83 34.83 2dn8 s MET 55 CO 0.09 0.48 1.01 0.99 -0.01 0.00 0.00 175.02 177.59 2dn8 s THR 56 N -0.52 3.92 -0.09 2.05 2.01 -1.26 0.63 115.64 122.38 2dn8 s THR 56 Ca 0.08 1.43 -0.03 0.00 0.31 0.00 0.00 61.69 63.49 2dn8 s THR 56 Cb -0.09 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2dn8 s THR 56 CO -0.01 -0.03 0.02 -0.76 -0.69 0.00 0.00 174.62 173.16 2dn8 s LEU 57 N -2.65 3.69 0.39 4.42 1.43 0.36 -4.82 118.68 121.51 2dn8 s LEU 57 Ca 0.57 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2dn8 s LEU 57 Cb -0.19 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2dn8 s LEU 57 CO 0.24 0.38 0.16 0.54 0.23 0.00 0.00 176.35 177.90 2dn8 s ASN 58 N -0.88 4.46 0.09 2.29 2.20 -1.26 -2.10 114.94 119.74 2dn8 s ASN 58 Ca 0.13 -1.01 -0.13 0.00 -0.94 0.00 0.00 52.86 50.92 2dn8 s ASN 58 Cb -0.11 -0.53 -0.06 0.00 -2.00 0.00 0.00 41.25 38.55 2dn8 s ASN 58 CO 0.02 -0.48 0.46 0.68 -2.94 0.00 0.00 177.10 174.85 2dn8 s VAL 59 N -2.56 4.98 0.42 3.54 -7.23 -1.18 -4.80 120.40 113.58 2dn8 s VAL 59 Ca 0.40 0.69 0.40 0.00 -1.81 0.00 0.00 61.98 61.66 2dn8 s VAL 59 Cb 0.02 -3.70 0.41 0.00 0.56 0.00 0.00 36.38 33.68 2dn8 s VAL 59 CO 0.22 0.34 2.21 1.56 -0.31 0.00 0.00 175.10 179.12 2dn8 h GLN 60 N 3.87 0.00 0.00 4.82 4.20 -1.95 -3.39 115.11 122.66 2dn8 h GLN 60 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2dn8 h GLN 60 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2dn8 h GLN 60 CO 0.65 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.90 2dn8 n GLU 61 N -3.01 0.00 -1.16 1.46 2.13 -1.26 -5.02 120.64 113.78 2dn8 n GLU 61 Ca -0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.40 2dn8 n GLU 61 Cb 0.14 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.82 2dn8 n GLU 61 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2dn8 n ARG 62 N -0.34 0.00 0.00 5.31 1.85 -1.26 -4.74 116.66 117.47 2dn8 n ARG 62 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2dn8 n ARG 62 Cb 0.00 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.57 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dn8 n GLY 63 N 1.64 -0.60 2.89 2.89 0.00 -1.24 -4.13 105.19 106.63 2dn8 n GLY 63 Ca 0.15 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.53 2dn8 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dn8 s ARG 64 N -1.57 1.11 0.12 1.61 0.52 -1.10 -2.95 118.95 116.69 2dn8 s ARG 64 Ca 0.00 -0.15 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 2dn8 s ARG 64 Cb 0.00 -1.16 -0.07 0.00 0.52 0.00 0.00 34.95 34.24 2dn8 s ARG 64 CO 0.00 -0.16 0.74 0.08 0.02 0.00 0.00 175.30 175.98 2dn8 s VAL 65 N 1.31 4.51 0.20 3.52 1.01 0.48 -2.32 120.40 129.10 2dn8 s VAL 65 Ca -0.04 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.59 2dn8 s VAL 65 Cb -0.14 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2dn8 s VAL 65 CO -0.03 0.50 -0.08 -0.75 0.00 0.00 0.00 175.10 174.74 2dn8 s LYS 66 N -0.92 1.25 -0.33 2.72 2.20 -1.11 -2.55 119.74 121.00 2dn8 s LYS 66 Ca 0.35 -1.58 -0.18 0.00 -0.36 0.00 0.00 55.97 54.19 2dn8 s LYS 66 Cb -0.22 -0.81 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2dn8 s LYS 66 CO 0.24 0.06 0.54 -0.47 -0.36 0.00 0.00 175.35 175.35 2dn8 s TYR 67 N -3.22 3.19 0.00 4.03 5.04 -1.26 -3.67 117.35 121.46 2dn8 s TYR 67 Ca 0.23 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 2dn8 s TYR 67 Cb 0.03 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.41 2dn8 s TYR 67 CO 0.05 -0.51 0.00 -0.89 -1.34 0.00 0.00 175.55 172.87 2dn8 n ILE 68 N 5.41 0.00 -2.74 3.14 2.08 -1.25 -4.97 119.36 121.04 2dn8 n ILE 68 Ca -0.04 0.17 -0.42 0.00 0.56 0.00 0.00 62.75 63.01 2dn8 n ILE 68 Cb 0.49 -1.13 -0.03 0.00 -0.75 0.00 0.00 39.64 38.22 2dn8 n ILE 68 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dn8 s LYS 69 N -0.90 4.28 0.48 0.38 -0.14 -0.79 -4.99 119.74 118.06 2dn8 s LYS 69 Ca 0.00 1.24 -0.20 0.00 -1.36 0.00 0.00 55.97 55.65 2dn8 s LYS 69 Cb 0.00 -3.62 -0.12 0.00 -1.68 0.00 0.00 37.83 32.41 2dn8 s LYS 69 CO 0.00 -0.52 0.34 0.54 -0.76 0.00 0.00 175.35 174.95 2dn8 n ARG 70 N 5.91 0.36 -2.39 1.68 3.00 -1.26 -4.83 116.66 119.13 2dn8 n ARG 70 Ca 0.09 0.14 -0.43 0.00 -0.01 0.00 0.00 57.85 57.64 2dn8 n ARG 70 Cb 0.47 -1.39 -0.02 0.00 0.00 0.00 0.00 32.46 31.52 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2dn8 s PRO 71 N -1.53 4.06 0.00 5.56 0.04 -1.26 -3.00 135.00 138.86 2dn8 s PRO 71 Ca 0.63 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2dn8 s PRO 71 Cb -0.54 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2dn8 s PRO 71 CO 0.59 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2dn8 n GLY 72 N 4.00 1.15 3.76 0.56 0.00 -1.21 -4.86 105.19 108.59 2dn8 n GLY 72 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2dn8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s ALA 73 N -1.89 1.48 -0.33 4.61 0.00 -1.16 -4.80 121.76 119.67 2dn8 s ALA 73 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 2dn8 s ALA 73 Cb 0.00 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 2dn8 s ALA 73 CO 0.00 -2.87 0.52 0.54 0.00 0.00 0.00 175.76 173.95 2dn8 s VAL 74 N -3.41 5.02 -0.01 0.00 0.11 -1.26 -2.26 120.40 118.59 2dn8 s VAL 74 Ca 0.71 0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 59.94 2dn8 s VAL 74 Cb -0.08 -3.94 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 2dn8 s VAL 74 CO 0.54 -0.15 1.10 -0.76 -3.33 0.00 0.00 175.10 172.50 2dn8 s LEU 75 N 2.39 4.33 0.08 2.54 2.01 -0.93 -4.89 118.68 124.23 2dn8 s LEU 75 Ca 0.20 1.78 0.07 0.00 0.01 0.00 0.00 54.13 56.19 2dn8 s LEU 75 Cb -0.15 -3.57 -0.03 0.00 0.01 0.00 0.00 46.19 42.45 2dn8 s LEU 75 CO 0.12 -0.42 -0.20 -1.61 1.01 0.00 0.00 176.35 175.26 2dn8 s GLU 76 N 1.41 1.13 0.02 1.70 2.02 -1.26 -0.09 118.70 123.63 2dn8 s GLU 76 Ca 0.54 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2dn8 s GLU 76 Cb -0.24 -1.32 -0.07 0.00 0.10 0.00 0.00 34.13 32.60 2dn8 s GLU 76 CO 0.26 0.31 1.68 0.00 0.02 0.00 0.00 175.26 177.53 2dn8 s ALA 77 N -1.09 3.65 -0.46 5.21 0.00 -1.26 -2.51 121.76 125.31 2dn8 s ALA 77 Ca 0.05 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 2dn8 s ALA 77 Cb -0.10 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.30 2dn8 s ALA 77 CO 0.03 -1.24 0.38 0.41 0.00 0.00 0.00 175.76 175.35 2dn8 n GLY 78 N 4.08 0.20 3.55 0.00 0.00 -1.07 -4.89 105.19 107.06 2dn8 n GLY 78 Ca 0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2dn8 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s VAL 80 N -3.08 4.74 0.15 0.00 0.11 -1.26 -1.60 120.40 119.45 2dn8 s VAL 80 Ca 0.29 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 60.32 2dn8 s VAL 80 Cb 0.07 -3.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.17 2dn8 s VAL 80 CO 0.14 0.14 0.00 0.52 -3.33 0.00 0.00 175.10 172.57 2dn8 n VAL 81 N 0.53 0.53 -3.83 2.04 0.31 -0.67 -4.86 118.33 112.38 2dn8 n VAL 81 Ca -0.02 0.18 -0.06 0.00 -0.01 0.00 0.00 64.34 64.42 2dn8 n VAL 81 Cb 0.52 -0.98 -0.02 0.00 -0.91 0.00 0.00 33.84 32.45 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 n ALA 82 N -3.28 -0.05 -2.62 3.52 0.00 -1.19 -1.88 120.51 115.00 2dn8 n ALA 82 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 53.44 52.48 2dn8 n ALA 82 Cb 0.00 0.54 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 2dn8 n ALA 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dn8 s ARG 83 N -2.36 2.28 -0.14 0.00 1.81 -1.24 -1.19 118.95 118.10 2dn8 s ARG 83 Ca 0.12 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.10 2dn8 s ARG 83 Cb -0.00 -2.35 0.02 0.00 -0.45 0.00 0.00 34.95 32.17 2dn8 s ARG 83 CO 0.09 0.49 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.90 2dn8 s LEU 84 N -2.48 1.63 -0.81 2.53 0.20 -1.20 -2.75 118.68 115.80 2dn8 s LEU 84 Ca 0.24 -0.46 -0.16 0.00 0.69 0.00 0.00 54.13 54.44 2dn8 s LEU 84 Cb -0.11 -1.14 0.18 0.00 -0.43 0.00 0.00 46.19 44.69 2dn8 s LEU 84 CO 0.16 -0.06 0.83 -0.70 -0.29 0.00 0.00 176.35 176.29 2dn8 s GLU 85 N 1.51 3.50 -0.15 1.98 -6.30 -0.98 -4.50 118.70 113.76 2dn8 s GLU 85 Ca 0.05 -2.10 -0.29 0.00 -2.50 0.00 0.00 54.97 50.13 2dn8 s GLU 85 Cb -0.13 -4.53 -0.05 0.00 0.00 0.00 0.00 34.13 29.43 2dn8 s GLU 85 CO -0.10 -1.45 1.83 -0.51 0.02 0.00 0.00 175.26 175.05 2dn8 s LEU 86 N 1.20 3.95 0.00 2.70 1.43 -1.26 -2.72 118.68 123.98 2dn8 s LEU 86 Ca 0.20 1.97 0.19 0.00 -1.03 0.00 0.00 54.13 55.46 2dn8 s LEU 86 Cb -0.12 -3.53 0.93 0.00 0.03 0.00 0.00 46.19 43.50 2dn8 s LEU 86 CO -0.06 -1.34 1.60 -0.67 0.23 0.00 0.00 176.35 176.11 2dn8 n ASP 87 N 8.85 0.00 -3.31 2.29 -0.08 -1.26 -4.19 116.55 118.85 2dn8 n ASP 87 Ca 0.21 0.15 -0.11 0.00 -1.51 0.00 0.00 54.79 53.54 2dn8 n ASP 87 Cb 0.44 -0.35 -0.06 0.00 2.34 0.00 0.00 41.12 43.50 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dn8 s ASP 88 N -2.69 0.37 0.90 1.67 2.15 -1.26 -5.15 116.67 112.66 2dn8 s ASP 88 Ca 0.16 -1.00 -0.12 0.00 0.43 0.00 0.00 52.55 52.01 2dn8 s ASP 88 Cb 0.13 1.02 0.13 0.00 -0.30 0.00 0.00 42.92 43.90 2dn8 s ASP 88 CO 0.31 -0.28 1.13 -2.16 -0.17 0.00 0.00 175.17 174.01 2dn8 s PRO 89 N 1.91 1.25 -0.12 4.34 0.04 -1.26 -4.59 135.00 136.57 2dn8 s PRO 89 Ca 0.14 0.33 -0.01 0.00 0.04 0.00 0.00 61.00 61.50 2dn8 s PRO 89 Cb -0.12 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dn8 s PRO 89 CO -0.14 -2.13 0.02 0.45 0.04 0.00 0.00 177.00 175.25 2dn8 n SER 90 N -3.73 -7.09 -3.73 6.66 2.88 -1.26 -4.96 113.62 102.39 2dn8 n SER 90 Ca 0.07 0.76 -0.29 0.00 -1.33 0.00 0.00 58.87 58.08 2dn8 n SER 90 Cb 0.59 -2.97 -0.12 0.00 -0.75 0.00 0.00 64.21 60.96 2dn8 n SER 90 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dn8 s LYS 91 N -1.28 1.66 -0.20 -1.46 1.02 -1.26 -4.89 119.74 113.33 2dn8 s LYS 91 Ca 0.01 -2.52 -0.10 0.00 0.02 0.00 0.00 55.97 53.38 2dn8 s LYS 91 Cb -0.00 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 2dn8 s LYS 91 CO 0.31 -1.24 -0.26 0.28 -0.92 0.00 0.00 175.35 173.52 2dn8 n VAL 92 N 2.85 1.11 -3.74 3.17 0.31 -1.26 -5.04 118.33 115.73 2dn8 n VAL 92 Ca 0.16 -0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 63.92 2dn8 n VAL 92 Cb 0.37 -1.78 0.01 0.00 -0.91 0.00 0.00 33.84 31.53 2dn8 n VAL 92 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2dn8 n HIS 93 N -3.91 -2.18 -1.52 3.52 -0.00 -1.26 -4.92 115.22 104.96 2dn8 n HIS 93 Ca -0.40 0.90 -0.29 0.00 -0.00 0.00 0.00 57.72 57.93 2dn8 n HIS 93 Cb 0.78 -2.49 0.18 0.00 -0.00 0.00 0.00 29.99 28.46 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2dn8 s PRO 94 N -4.37 0.31 0.30 1.57 0.04 -1.26 -5.08 135.00 126.50 2dn8 s PRO 94 Ca 0.09 -0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.19 2dn8 s PRO 94 Cb -0.01 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2dn8 s PRO 94 CO 0.89 -2.70 0.23 0.45 0.04 0.00 0.00 177.00 175.91 2dn8 s SER 95 N -4.24 5.33 0.22 6.66 0.15 -1.26 -5.14 113.70 115.42 2dn8 s SER 95 Ca 0.69 -0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.71 2dn8 s SER 95 Cb -0.10 -1.14 0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2dn8 s SER 95 CO 0.54 -0.20 0.69 -0.83 1.20 0.00 0.00 173.24 174.64 2dn8 s GLY 96 N -3.91 -0.30 -0.14 9.45 0.00 -1.26 -5.13 107.32 106.03 2dn8 s GLY 96 Ca 0.37 0.03 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 2dn8 s GLY 96 CO 0.25 0.02 1.26 2.56 0.00 0.00 0.00 173.10 177.19 2dn8 s PRO 97 N -3.81 4.25 0.43 2.90 0.04 -1.26 -5.02 135.00 132.53 2dn8 s PRO 97 Ca 0.07 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 2dn8 s PRO 97 Cb -0.04 -3.74 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 2dn8 s PRO 97 CO -0.01 -0.67 0.76 -1.54 0.04 0.00 0.00 177.00 175.58 2dn8 s SER 98 N 1.94 6.40 -0.31 6.66 1.04 -1.26 -5.06 113.70 123.11 2dn8 s SER 98 Ca 0.55 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.87 2dn8 s SER 98 Cb -0.22 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2dn8 s SER 98 CO 0.16 -0.46 0.20 -0.55 0.98 0.00 0.00 173.24 173.56 2dn8 s SER 99 N -3.59 5.89 0.00 7.02 0.15 -1.26 -5.36 113.70 116.55 2dn8 s SER 99 Ca 0.49 -0.29 0.21 0.00 0.70 0.00 0.00 55.95 57.06 2dn8 s SER 99 Cb -0.10 -2.09 1.25 0.00 -1.71 0.00 0.00 66.02 63.37 2dn8 s SER 99 CO 0.37 -0.15 1.64 0.61 1.20 0.00 0.00 173.24 176.91