#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 -0.58 0.24 1.61 0.01 -1.26 -5.16 113.70 108.56 2dn8 s SER 2 Ca 0.00 1.05 -0.22 0.00 1.31 0.00 0.00 55.95 58.09 2dn8 s SER 2 Cb 0.00 1.03 0.03 0.00 0.21 0.00 0.00 66.02 67.30 2dn8 s SER 2 CO 0.00 -0.21 0.78 -0.94 0.41 0.00 0.00 173.24 173.29 2dn8 s SER 3 N 1.70 -0.25 0.00 2.44 1.04 -1.26 -5.15 113.70 112.22 2dn8 s SER 3 Ca -0.08 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2dn8 s SER 3 Cb -0.08 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2dn8 s SER 3 CO -0.14 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.48 2dn8 n GLY 4 N -0.46 -0.35 0.75 7.32 0.00 -1.26 -5.17 105.19 106.03 2dn8 n GLY 4 Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2dn8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn8 n SER 5 N 0.00 -4.51 -3.66 1.61 2.88 -1.26 -5.10 113.62 103.58 2dn8 n SER 5 Ca 0.00 0.64 -0.06 0.00 -1.33 0.00 0.00 58.87 58.12 2dn8 n SER 5 Cb 0.00 -1.78 -0.02 0.00 -0.75 0.00 0.00 64.21 61.67 2dn8 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dn8 s SER 6 N -2.92 -0.27 0.00 -3.46 0.15 -1.26 -5.11 113.70 100.84 2dn8 s SER 6 Ca 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2dn8 s SER 6 Cb 0.00 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dn8 s SER 6 CO 0.00 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.21 2dn8 n GLY 7 N -0.39 -1.96 1.97 9.45 0.00 -1.26 -5.14 105.19 107.86 2dn8 n GLY 7 Ca -0.07 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2dn8 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dn8 n THR 8 N 0.00-11.20 -3.64 2.61 -1.04 -1.26 -5.08 114.28 94.66 2dn8 n THR 8 Ca 0.00 3.15 -0.02 0.00 -2.04 0.00 0.00 64.05 65.14 2dn8 n THR 8 Cb 0.00 -4.90 -0.07 0.00 -1.82 0.00 0.00 70.33 63.55 2dn8 n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dn8 n VAL 10 N 3.27 0.00 -3.61 0.00 0.24 -1.26 -4.90 118.33 112.07 2dn8 n VAL 10 Ca -0.17 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 2dn8 n VAL 10 Cb 0.57 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 2dn8 n VAL 10 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2dn8 s PHE 11 N 0.00 -0.72 0.24 6.34 -0.71 -1.26 -5.17 117.98 116.69 2dn8 s PHE 11 Ca 0.00 1.67 0.10 0.00 -1.04 0.00 0.00 56.93 57.67 2dn8 s PHE 11 Cb 0.00 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 2dn8 s PHE 11 CO 0.00 -0.40 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.16 2dn8 s GLU 12 N 0.06 1.98 0.12 1.99 0.41 -1.26 -5.14 118.70 116.85 2dn8 s GLU 12 Ca -0.02 -1.49 0.03 0.00 -0.41 0.00 0.00 54.97 53.09 2dn8 s GLU 12 Cb -0.04 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 2dn8 s GLU 12 CO 0.02 0.38 0.17 0.15 -0.49 0.00 0.00 175.26 175.49 2dn8 s LYS 13 N -3.29 3.14 -0.30 1.61 1.02 -1.26 -5.10 119.74 115.56 2dn8 s LYS 13 Ca 0.28 -0.67 -0.06 0.00 0.02 0.00 0.00 55.97 55.54 2dn8 s LYS 13 Cb -0.07 -2.82 0.19 0.00 -0.52 0.00 0.00 37.83 34.60 2dn8 s LYS 13 CO 0.16 0.54 0.80 -2.00 -0.92 0.00 0.00 175.35 173.93 2dn8 s GLU 14 N -2.84 0.40 0.28 1.68 2.12 -1.26 -5.17 118.70 113.92 2dn8 s GLU 14 Ca 0.32 0.67 0.11 0.00 0.36 0.00 0.00 54.97 56.43 2dn8 s GLU 14 Cb -0.11 0.36 -0.05 0.00 0.26 0.00 0.00 34.13 34.59 2dn8 s GLU 14 CO 0.25 -0.47 -0.10 1.21 -0.54 0.00 0.00 175.26 175.60 2dn8 s ASN 15 N 2.90 4.00 -0.12 -1.70 2.47 -1.26 -5.14 114.94 116.10 2dn8 s ASN 15 Ca 0.12 -0.89 -0.30 0.00 0.42 0.00 0.00 52.86 52.20 2dn8 s ASN 15 Cb -0.12 -0.52 0.10 0.00 -1.45 0.00 0.00 41.25 39.26 2dn8 s ASN 15 CO -0.18 -0.01 0.86 -1.81 -3.72 0.00 0.00 177.10 172.24 2dn8 s ASP 16 N -3.60 -0.49 0.25 -4.21 1.11 -1.26 -5.04 116.67 103.44 2dn8 s ASP 16 Ca 0.31 0.54 0.12 0.00 0.18 0.00 0.00 52.55 53.70 2dn8 s ASP 16 Cb -0.05 0.41 0.25 0.00 1.07 0.00 0.00 42.92 44.60 2dn8 s ASP 16 CO 0.17 -0.45 1.53 1.55 1.18 0.00 0.00 175.17 179.16 2dn8 h PRO 17 N 2.76 0.00 -1.72 8.23 0.13 -2.01 -3.22 132.00 136.17 2dn8 h PRO 17 Ca -0.22 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.18 2dn8 h PRO 17 Cb 1.15 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.00 2dn8 h PRO 17 CO 0.34 0.66 0.87 0.25 -0.23 0.00 0.00 178.00 179.89 2dn8 n THR 18 N -3.58 3.51 -3.90 1.56 -2.24 -1.26 -4.79 114.28 103.58 2dn8 n THR 18 Ca -0.00 -4.04 -0.11 0.00 -2.27 0.00 0.00 64.05 57.63 2dn8 n THR 18 Cb 0.69 -1.22 -0.12 0.00 -2.10 0.00 0.00 70.33 67.57 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 -5.05 0.05 -0.47 2.28 0.11 -1.22 -3.93 120.40 112.17 2dn8 s VAL 19 Ca 0.55 -0.39 0.03 0.00 -2.93 0.00 0.00 61.98 59.24 2dn8 s VAL 19 Cb 0.45 -0.17 0.14 0.00 -1.53 0.00 0.00 36.38 35.28 2dn8 s VAL 19 CO -0.31 -0.21 0.28 -0.76 -3.33 0.00 0.00 175.10 170.77 2dn8 s LEU 20 N -0.64 2.83 0.44 2.54 1.43 -1.18 -4.74 118.68 119.35 2dn8 s LEU 20 Ca -0.07 -2.83 0.00 0.00 -1.03 0.00 0.00 54.13 50.21 2dn8 s LEU 20 Cb -0.04 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.12 2dn8 s LEU 20 CO -0.00 -0.23 0.66 -0.13 0.23 0.00 0.00 176.35 176.87 2dn8 s ARG 21 N 0.10 3.13 -0.17 1.70 0.52 -1.26 -2.73 118.95 120.24 2dn8 s ARG 21 Ca 0.20 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.70 2dn8 s ARG 21 Cb -0.19 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 2dn8 s ARG 21 CO -0.04 -0.21 0.81 0.45 0.02 0.00 0.00 175.30 176.33 2dn8 s SER 22 N -4.19 6.92 0.44 0.23 0.15 -0.01 -4.90 113.70 112.34 2dn8 s SER 22 Ca 0.47 1.13 0.24 0.00 0.70 0.00 0.00 55.95 58.50 2dn8 s SER 22 Cb -0.10 -2.44 0.72 0.00 -1.71 0.00 0.00 66.02 62.49 2dn8 s SER 22 CO 0.38 -0.38 1.74 1.55 1.20 0.00 0.00 173.24 177.73 2dn8 h PRO 23 N 7.34 0.00 -2.86 5.44 0.13 -1.91 -1.09 132.00 139.05 2dn8 h PRO 23 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 2dn8 h PRO 23 Cb 1.13 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.10 2dn8 h PRO 23 CO 0.83 0.16 0.00 0.45 -0.23 0.00 0.00 178.00 179.21 2dn8 s SER 24 N -6.13 -0.40 0.57 1.44 0.15 -1.26 -4.78 113.70 103.29 2dn8 s SER 24 Ca 0.03 0.11 -0.20 0.00 0.70 0.00 0.00 55.95 56.60 2dn8 s SER 24 Cb 0.08 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 2dn8 s SER 24 CO 0.64 -0.71 1.23 0.00 1.20 0.00 0.00 173.24 175.60 2dn8 s ALA 25 N -2.51 2.63 0.00 5.45 0.00 -1.26 -4.46 121.76 121.60 2dn8 s ALA 25 Ca -0.05 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.96 2dn8 s ALA 25 Cb -0.01 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2dn8 s ALA 25 CO -0.02 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.00 2dn8 n GLY 26 N 0.54 2.14 2.98 0.00 0.00 0.30 -4.63 105.19 106.53 2dn8 n GLY 26 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2dn8 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dn8 s LYS 27 N 3.02 0.33 0.58 1.61 2.20 -0.24 -1.67 119.74 125.56 2dn8 s LYS 27 Ca 0.00 0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 56.05 2dn8 s LYS 27 Cb 0.00 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 2dn8 s LYS 27 CO 0.00 -0.55 1.20 -0.11 -0.36 0.00 0.00 175.35 175.53 2dn8 n LEU 28 N 5.37 4.93 0.10 5.43 7.94 -1.00 -0.49 117.00 139.27 2dn8 n LEU 28 Ca -0.05 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 2dn8 n LEU 28 Cb 0.50 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.95 2dn8 n LEU 28 CO 0.05 -1.13 0.00 0.35 -1.11 0.00 0.00 177.39 175.54 2dn8 n THR 29 N -1.45 0.68 -3.62 1.96 -2.24 -1.26 -3.77 114.28 104.58 2dn8 n THR 29 Ca 0.13 0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 62.11 2dn8 n THR 29 Cb 0.46 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.16 0.68 -0.78 -2.07 -1.26 -4.42 119.66 109.97 2dn8 s GLN 30 Ca 0.00 -0.06 -0.08 0.00 -1.82 0.00 0.00 55.36 53.39 2dn8 s GLN 30 Cb 0.00 0.07 0.03 0.00 -1.09 0.00 0.00 33.01 32.02 2dn8 s GLN 30 CO 0.00 -0.07 1.02 0.71 -1.32 0.00 0.00 175.29 175.62 2dn8 s TYR 31 N -2.21 3.16 0.00 9.60 2.02 -1.26 -3.68 117.35 124.98 2dn8 s TYR 31 Ca 0.11 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 2dn8 s TYR 31 Cb -0.00 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 2dn8 s TYR 31 CO -0.04 -1.17 0.48 0.25 -1.57 0.00 0.00 175.55 173.50 2dn8 n THR 32 N -2.87 0.00 -4.30 -0.71 -2.24 -0.41 -4.94 114.28 98.81 2dn8 n THR 32 Ca 0.06 -0.49 -0.24 0.00 -2.27 0.00 0.00 64.05 61.11 2dn8 n THR 32 Cb 0.59 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.02 2.86 0.67 2.28 -7.23 -1.24 -5.01 120.40 112.72 2dn8 s VAL 33 Ca 0.00 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.26 2dn8 s VAL 33 Cb 0.00 -2.79 0.12 0.00 0.56 0.00 0.00 36.38 34.27 2dn8 s VAL 33 CO 0.00 -0.25 0.93 -1.61 -0.31 0.00 0.00 175.10 173.85 2dn8 s GLU 34 N -3.71 1.86 0.14 4.82 2.02 -1.26 -4.90 118.70 117.67 2dn8 s GLU 34 Ca 0.34 -1.45 -0.33 0.00 0.02 0.00 0.00 54.97 53.55 2dn8 s GLU 34 Cb -0.02 -2.47 -0.17 0.00 0.10 0.00 0.00 34.13 31.57 2dn8 s GLU 34 CO 0.20 -1.27 0.98 -3.47 0.02 0.00 0.00 175.26 171.71 2dn8 n ASP 35 N -2.61 0.35 -4.13 -0.19 2.03 -1.26 0.23 116.55 110.97 2dn8 n ASP 35 Ca 0.17 1.14 -0.33 0.00 0.52 0.00 0.00 54.79 56.29 2dn8 n ASP 35 Cb 0.61 -1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 39.92 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 1.85 -0.41 3.71 0.27 0.00 -1.26 -4.84 105.19 104.52 2dn8 n GLY 36 Ca 0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2dn8 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dn8 s GLY 37 N -3.50 1.49 -0.15 -0.02 0.00 0.14 -4.76 107.32 100.51 2dn8 s GLY 37 Ca 0.59 1.39 -0.03 0.00 0.00 0.00 0.00 44.72 46.68 2dn8 s GLY 37 CO 0.91 2.73 -0.06 -1.58 0.00 0.00 0.00 173.10 175.09 2dn8 s HIS 38 N 1.39 2.96 0.36 1.90 2.46 -1.26 0.57 115.29 123.67 2dn8 s HIS 38 Ca 0.72 -0.43 0.05 0.00 0.47 0.00 0.00 55.06 55.86 2dn8 s HIS 38 Cb -0.44 -1.93 -0.03 0.00 -0.13 0.00 0.00 32.58 30.04 2dn8 s HIS 38 CO 0.32 -0.12 0.18 0.14 -2.47 0.00 0.00 174.74 172.80 2dn8 s VAL 39 N 0.43 0.33 0.31 0.89 -7.23 -0.80 -5.00 120.40 109.33 2dn8 s VAL 39 Ca -0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2dn8 s VAL 39 Cb -0.15 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 2dn8 s VAL 39 CO 0.03 0.00 0.25 -1.83 -0.31 0.00 0.00 175.10 173.25 2dn8 s GLU 40 N -3.65 2.76 -0.81 4.82 -1.05 -1.26 -2.30 118.70 117.22 2dn8 s GLU 40 Ca 0.32 -1.24 -0.25 0.00 -0.15 0.00 0.00 54.97 53.65 2dn8 s GLU 40 Cb 0.03 -2.48 -0.05 0.00 -0.44 0.00 0.00 34.13 31.19 2dn8 s GLU 40 CO 0.19 0.19 1.99 0.00 0.95 0.00 0.00 175.26 178.58 2dn8 s ALA 41 N -2.26 1.69 0.00 -0.84 0.00 -1.26 -1.29 121.76 117.79 2dn8 s ALA 41 Ca 0.38 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2dn8 s ALA 41 Cb -0.06 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2dn8 s ALA 41 CO 0.26 -4.69 0.00 0.41 0.00 0.00 0.00 175.76 171.74 2dn8 n GLY 42 N 6.54 0.69 1.58 0.00 0.00 -1.25 -4.90 105.19 107.85 2dn8 n GLY 42 Ca 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.03 -4.17 1.61 7.64 -0.41 -4.90 113.62 113.42 2dn8 n SER 43 Ca 0.00 -1.19 -0.29 0.00 1.01 0.00 0.00 58.87 58.40 2dn8 n SER 43 Cb 0.00 -0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 62.62 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 -2.99 2.59 -0.01 6.43 1.04 -1.26 -3.44 113.70 116.06 2dn8 s SER 44 Ca 0.31 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.35 2dn8 s SER 44 Cb -0.01 -0.93 -0.08 0.00 0.10 0.00 0.00 66.02 65.11 2dn8 s SER 44 CO 0.22 0.16 0.14 0.00 0.98 0.00 0.00 173.24 174.74 2dn8 n TYR 45 N 3.31 0.00 -3.49 5.02 0.18 0.17 -4.82 117.16 117.53 2dn8 n TYR 45 Ca -0.19 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.54 2dn8 n TYR 45 Cb 0.52 -0.10 0.02 0.00 -0.38 0.00 0.00 39.34 39.40 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 -1.59 -1.11 -2.34 -3.48 0.00 -1.11 -1.29 120.51 109.60 2dn8 n ALA 46 Ca -0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2dn8 n ALA 46 Cb 0.13 0.57 -0.08 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.05 1.75 -0.16 0.00 2.02 -1.24 0.16 118.70 119.18 2dn8 s GLU 47 Ca 0.10 -1.98 -0.28 0.00 0.02 0.00 0.00 54.97 52.83 2dn8 s GLU 47 Cb -0.03 0.34 0.08 0.00 0.10 0.00 0.00 34.13 34.62 2dn8 s GLU 47 CO 0.07 -0.65 0.75 0.00 0.02 0.00 0.00 175.26 175.44 2dn8 s MET 48 N -3.43 0.89 -0.53 1.61 0.23 0.30 -4.19 119.30 114.18 2dn8 s MET 48 Ca 0.40 0.54 -0.19 0.00 -1.03 0.00 0.00 55.69 55.41 2dn8 s MET 48 Cb 0.02 0.43 0.07 0.00 -1.53 0.00 0.00 34.83 33.82 2dn8 s MET 48 CO 0.26 -0.21 0.65 -2.00 -2.03 0.00 0.00 175.02 171.69 2dn8 s GLU 49 N -0.51 3.10 0.07 3.16 2.12 0.36 0.18 118.70 127.17 2dn8 s GLU 49 Ca -0.05 -1.00 0.02 0.00 0.36 0.00 0.00 54.97 54.30 2dn8 s GLU 49 Cb -0.02 -4.14 -0.03 0.00 0.26 0.00 0.00 34.13 30.19 2dn8 s GLU 49 CO 0.05 -1.31 -0.08 0.54 -0.54 0.00 0.00 175.26 173.92 2dn8 s VAL 50 N 2.66 0.66 -1.35 3.70 0.11 0.18 -1.08 120.40 125.27 2dn8 s VAL 50 Ca 0.14 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 2dn8 s VAL 50 Cb -0.20 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 2dn8 s VAL 50 CO 0.10 -0.54 0.00 0.23 -3.33 0.00 0.00 175.10 171.57 2dn8 n MET 51 N 0.91 -1.80 -0.93 1.54 2.81 -1.26 0.17 117.12 118.56 2dn8 n MET 51 Ca -0.19 0.76 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 2dn8 n MET 51 Cb 0.57 -5.24 0.00 0.00 -0.71 0.00 0.00 33.22 27.83 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 -2.52 -0.42 -4.47 0.03 5.02 -1.26 -4.98 118.16 109.57 2dn8 n LYS 52 Ca -0.16 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 55.97 2dn8 n LYS 52 Cb 0.57 -3.49 -0.13 0.00 -0.02 0.00 0.00 35.03 31.96 2dn8 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dn8 s MET 53 N -0.56 1.32 -0.49 1.97 0.23 0.44 -5.10 119.30 117.12 2dn8 s MET 53 Ca 0.00 -1.14 -0.26 0.00 -1.03 0.00 0.00 55.69 53.27 2dn8 s MET 53 Cb 0.00 -1.59 0.03 0.00 -1.53 0.00 0.00 34.83 31.74 2dn8 s MET 53 CO 0.00 0.39 0.96 0.42 -2.03 0.00 0.00 175.02 174.75 2dn8 s ILE 54 N -1.00 4.41 -0.11 3.16 -1.09 -1.26 0.47 121.20 125.77 2dn8 s ILE 54 Ca 0.09 0.70 -0.08 0.00 -2.23 0.00 0.00 60.65 59.13 2dn8 s ILE 54 Cb -0.10 -4.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.26 2dn8 s ILE 54 CO 0.04 -0.93 0.16 -0.32 -1.23 0.00 0.00 174.94 172.66 2dn8 s MET 55 N 3.91 3.49 0.38 2.79 -2.45 0.46 -4.88 119.30 123.01 2dn8 s MET 55 Ca 0.37 -0.10 -0.22 0.00 -1.25 0.00 0.00 55.69 54.50 2dn8 s MET 55 Cb -0.10 -3.20 -0.10 0.00 1.25 0.00 0.00 34.83 32.68 2dn8 s MET 55 CO 0.25 0.76 0.92 0.99 1.05 0.00 0.00 175.02 178.99 2dn8 s THR 56 N -1.00 4.38 -0.22 10.11 2.01 -1.26 0.11 115.64 129.77 2dn8 s THR 56 Ca 0.15 1.52 -0.04 0.00 0.31 0.00 0.00 61.69 63.64 2dn8 s THR 56 Cb -0.12 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2dn8 s THR 56 CO 0.04 -0.16 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.02 2dn8 s LEU 57 N -2.81 2.97 0.33 4.42 1.43 0.42 -4.85 118.68 120.60 2dn8 s LEU 57 Ca 0.57 -0.35 0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2dn8 s LEU 57 Cb -0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2dn8 s LEU 57 CO 0.17 -0.00 0.30 0.20 0.23 0.00 0.00 176.35 177.24 2dn8 s ASN 58 N 1.38 5.33 0.11 2.29 0.01 -1.25 -0.66 114.94 122.16 2dn8 s ASN 58 Ca 0.05 -0.47 -0.20 0.00 -0.71 0.00 0.00 52.86 51.53 2dn8 s ASN 58 Cb -0.14 -1.01 -0.07 0.00 0.41 0.00 0.00 41.25 40.44 2dn8 s ASN 58 CO -0.02 -0.34 0.62 0.68 -1.51 0.00 0.00 177.10 176.53 2dn8 s VAL 59 N -2.29 4.67 0.34 1.60 -7.23 -1.22 -4.89 120.40 111.39 2dn8 s VAL 59 Ca 0.41 1.25 0.21 0.00 -1.81 0.00 0.00 61.98 62.04 2dn8 s VAL 59 Cb -0.06 -3.91 0.20 0.00 0.56 0.00 0.00 36.38 33.17 2dn8 s VAL 59 CO 0.27 0.47 1.92 1.56 -0.31 0.00 0.00 175.10 179.01 2dn8 h GLN 60 N 4.26 0.00 -2.04 4.82 7.50 -1.93 -3.31 115.11 124.41 2dn8 h GLN 60 Ca -0.49 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.64 2dn8 h GLN 60 Cb 1.21 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 28.53 2dn8 h GLN 60 CO 0.64 0.24 0.06 -1.21 -1.50 0.00 0.00 178.83 177.07 2dn8 s GLU 61 N -4.09 0.76 0.41 1.46 2.02 -1.26 -4.92 118.70 113.08 2dn8 s GLU 61 Ca -0.02 1.08 -0.15 0.00 0.02 0.00 0.00 54.97 55.90 2dn8 s GLU 61 Cb 0.13 0.28 -0.12 0.00 0.10 0.00 0.00 34.13 34.51 2dn8 s GLU 61 CO 0.65 -0.12 -0.09 2.89 0.02 0.00 0.00 175.26 178.61 2dn8 n ARG 62 N 3.44 0.00 0.00 1.61 0.00 -1.26 -4.72 116.66 115.73 2dn8 n ARG 62 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 2dn8 n ARG 62 Cb 0.57 -0.82 0.00 0.00 -0.00 0.00 0.00 32.46 32.21 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dn8 n GLY 63 N 2.04 -0.46 3.05 2.89 0.00 -0.97 -4.62 105.19 107.12 2dn8 n GLY 63 Ca 0.07 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 0.93 0.01 1.61 0.52 -0.84 -1.91 118.95 117.28 2dn8 s ARG 64 Ca 0.00 -0.38 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 2dn8 s ARG 64 Cb 0.00 -0.89 -0.06 0.00 0.52 0.00 0.00 34.95 34.52 2dn8 s ARG 64 CO 0.00 0.21 0.57 0.08 0.02 0.00 0.00 175.30 176.18 2dn8 s VAL 65 N -0.16 4.88 0.21 3.52 1.01 0.19 -1.46 120.40 128.60 2dn8 s VAL 65 Ca 0.03 1.19 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2dn8 s VAL 65 Cb -0.05 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2dn8 s VAL 65 CO -0.00 0.46 -0.14 -0.54 0.00 0.00 0.00 175.10 174.88 2dn8 s LYS 66 N -0.47 1.34 -0.35 2.72 -0.14 -0.50 -3.68 119.74 118.66 2dn8 s LYS 66 Ca 0.30 -1.60 -0.23 0.00 -1.36 0.00 0.00 55.97 53.08 2dn8 s LYS 66 Cb -0.18 -1.11 0.01 0.00 -1.68 0.00 0.00 37.83 34.86 2dn8 s LYS 66 CO 0.17 0.17 0.75 -0.47 -0.76 0.00 0.00 175.35 175.22 2dn8 s TYR 67 N -2.98 3.13 -0.02 3.18 5.04 -1.26 -2.93 117.35 121.51 2dn8 s TYR 67 Ca 0.23 0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 55.33 2dn8 s TYR 67 Cb -0.00 -3.32 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 2dn8 s TYR 67 CO 0.07 -0.69 -0.15 -0.89 -1.34 0.00 0.00 175.55 172.55 2dn8 n ILE 68 N 5.71 1.34 -3.94 3.14 2.08 -1.23 -4.89 119.36 121.57 2dn8 n ILE 68 Ca 0.02 0.29 -0.31 0.00 0.56 0.00 0.00 62.75 63.31 2dn8 n ILE 68 Cb 0.48 -1.92 -0.05 0.00 -0.75 0.00 0.00 39.64 37.41 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 -2.39 3.33 0.48 0.38 -0.14 -0.35 -5.01 119.74 116.04 2dn8 s LYS 69 Ca -0.13 -0.48 -0.22 0.00 -1.36 0.00 0.00 55.97 53.79 2dn8 s LYS 69 Cb 0.02 -2.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.11 2dn8 s LYS 69 CO 0.19 0.61 1.14 1.03 -0.76 0.00 0.00 175.35 177.55 2dn8 s ARG 70 N -2.45 3.66 -0.04 1.68 0.52 -1.26 -4.95 118.95 116.11 2dn8 s ARG 70 Ca 0.33 1.68 -0.30 0.00 -0.52 0.00 0.00 55.73 56.93 2dn8 s ARG 70 Cb -0.13 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 2dn8 s ARG 70 CO 0.26 -0.61 1.21 -1.25 0.02 0.00 0.00 175.30 174.93 2dn8 s PRO 71 N -2.90 4.36 0.00 3.54 0.04 -1.26 -3.50 135.00 135.27 2dn8 s PRO 71 Ca 0.66 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2dn8 s PRO 71 Cb -0.26 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2dn8 s PRO 71 CO 0.31 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2dn8 n GLY 72 N 3.37 1.65 3.98 0.56 0.00 -1.25 -4.97 105.19 108.53 2dn8 n GLY 72 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 3.96 -0.59 4.61 0.00 -1.23 -4.91 121.76 121.60 2dn8 s ALA 73 Ca 0.00 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 2dn8 s ALA 73 Cb 0.00 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 21.14 2dn8 s ALA 73 CO 0.00 -0.68 0.96 0.54 0.00 0.00 0.00 175.76 176.58 2dn8 s VAL 74 N -2.71 4.35 -0.18 0.00 0.11 -1.26 -2.39 120.40 118.32 2dn8 s VAL 74 Ca 0.57 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.43 2dn8 s VAL 74 Cb -0.10 -4.59 -0.04 0.00 -1.53 0.00 0.00 36.38 30.12 2dn8 s VAL 74 CO 0.38 -1.23 1.68 -0.22 -3.33 0.00 0.00 175.10 172.37 2dn8 s LEU 75 N 4.04 3.96 0.19 2.54 1.98 -0.67 -4.93 118.68 125.79 2dn8 s LEU 75 Ca 0.28 1.79 0.10 0.00 -2.89 0.00 0.00 54.13 53.41 2dn8 s LEU 75 Cb -0.14 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.14 2dn8 s LEU 75 CO 0.16 -1.24 -0.14 -1.61 -1.89 0.00 0.00 176.35 171.64 2dn8 s GLU 76 N 4.66 1.89 0.23 1.98 2.02 -1.26 0.11 118.70 128.33 2dn8 s GLU 76 Ca 0.74 -1.36 -0.31 0.00 0.02 0.00 0.00 54.97 54.07 2dn8 s GLU 76 Cb -0.28 -2.06 -0.11 0.00 0.10 0.00 0.00 34.13 31.78 2dn8 s GLU 76 CO 0.30 0.42 1.63 0.00 0.02 0.00 0.00 175.26 177.63 2dn8 s ALA 77 N -1.71 3.82 -0.96 5.21 0.00 -1.26 -2.92 121.76 123.93 2dn8 s ALA 77 Ca 0.24 1.52 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 2dn8 s ALA 77 Cb -0.08 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 2dn8 s ALA 77 CO 0.14 -0.90 0.84 0.41 0.00 0.00 0.00 175.76 176.25 2dn8 n GLY 78 N 3.23 -0.90 3.40 0.00 0.00 -0.41 -4.95 105.19 105.55 2dn8 n GLY 78 Ca 0.12 0.46 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.48 5.30 0.14 0.00 0.11 -1.26 -0.83 120.40 120.37 2dn8 s VAL 80 Ca 0.34 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.84 2dn8 s VAL 80 Cb 0.06 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 2dn8 s VAL 80 CO 0.15 0.58 0.00 0.52 -3.33 0.00 0.00 175.10 173.02 2dn8 n VAL 81 N 1.83 0.69 -4.30 2.04 0.31 -1.10 -4.77 118.33 113.03 2dn8 n VAL 81 Ca -0.17 0.23 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 2dn8 n VAL 81 Cb 0.54 -1.14 -0.08 0.00 -0.91 0.00 0.00 33.84 32.25 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 s ALA 82 N -2.00 1.92 0.07 3.52 0.00 -1.23 -1.21 121.76 122.83 2dn8 s ALA 82 Ca 0.00 -1.96 0.09 0.00 0.00 0.00 0.00 51.96 50.08 2dn8 s ALA 82 Cb 0.00 1.40 -0.03 0.00 0.00 0.00 0.00 23.12 24.49 2dn8 s ALA 82 CO 0.00 -0.63 -0.23 0.50 0.00 0.00 0.00 175.76 175.41 2dn8 s ARG 83 N -3.52 1.82 -0.12 0.00 6.06 -1.15 -3.13 118.95 118.91 2dn8 s ARG 83 Ca 0.39 -1.12 -0.04 0.00 -2.50 0.00 0.00 55.73 52.46 2dn8 s ARG 83 Cb 0.03 -2.05 -0.03 0.00 0.06 0.00 0.00 34.95 32.95 2dn8 s ARG 83 CO 0.25 0.51 0.02 -1.17 -2.50 0.00 0.00 175.30 172.41 2dn8 s LEU 84 N -1.56 3.66 -0.40 -0.88 1.98 -1.25 -1.41 118.68 118.82 2dn8 s LEU 84 Ca 0.14 0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.52 2dn8 s LEU 84 Cb -0.10 -1.87 0.12 0.00 0.66 0.00 0.00 46.19 44.99 2dn8 s LEU 84 CO 0.05 0.30 0.17 -0.70 -1.89 0.00 0.00 176.35 174.28 2dn8 s GLU 85 N -0.40 1.33 0.34 1.98 2.12 -0.54 -4.55 118.70 118.98 2dn8 s GLU 85 Ca 0.08 -1.88 -0.25 0.00 0.36 0.00 0.00 54.97 53.28 2dn8 s GLU 85 Cb -0.12 -2.63 -0.14 0.00 0.26 0.00 0.00 34.13 31.50 2dn8 s GLU 85 CO 0.02 -1.06 0.65 1.28 -0.54 0.00 0.00 175.26 175.61 2dn8 n LEU 86 N 3.92 0.11 0.00 2.70 4.77 -1.26 -1.98 117.00 125.25 2dn8 n LEU 86 Ca 0.04 1.02 0.12 0.00 -0.03 0.00 0.00 56.01 57.17 2dn8 n LEU 86 Cb 0.37 -1.12 0.58 0.00 -2.33 0.00 0.00 43.42 40.93 2dn8 n LEU 86 CO 0.23 -2.56 0.92 -0.67 -1.33 0.00 0.00 177.39 173.98 2dn8 n ASP 87 N 1.45 0.00 0.00 -1.43 2.03 -1.26 -4.57 116.55 112.76 2dn8 n ASP 87 Ca 0.12 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2dn8 n ASP 87 Cb 0.35 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2dn8 n ASP 88 N -1.43 0.00 0.17 1.67 -0.08 -1.26 -5.02 116.55 110.59 2dn8 n ASP 88 Ca 0.08 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.49 2dn8 n ASP 88 Cb 0.27 0.00 0.45 0.00 2.34 0.00 0.00 41.12 44.18 2dn8 n ASP 88 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dn8 h PRO 89 N 0.00 0.00 0.60 -0.67 0.13 -1.99 -3.28 132.00 126.80 2dn8 h PRO 89 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2dn8 h PRO 89 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dn8 h PRO 89 CO 0.00 0.00 -0.50 0.77 -0.23 0.00 0.00 178.00 178.04 2dn8 h SER 90 N 0.00 -1.32 0.00 1.44 0.02 -1.98 -3.46 113.55 108.25 2dn8 h SER 90 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2dn8 h SER 90 Cb 0.62 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2dn8 h SER 90 CO 0.00 -0.69 0.00 1.17 -1.14 0.00 0.00 176.83 176.17 2dn8 n LYS 91 N -5.58 2.69 -3.64 3.45 4.81 -1.24 -5.18 118.16 113.47 2dn8 n LYS 91 Ca -0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.25 2dn8 n LYS 91 Cb 0.47 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.46 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dn8 s VAL 92 N 3.33 0.00 -0.04 3.15 0.11 -1.26 -4.89 120.40 120.79 2dn8 s VAL 92 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2dn8 s VAL 92 Cb 0.00 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.78 2dn8 s VAL 92 CO 0.00 0.00 1.91 -2.28 -3.33 0.00 0.00 175.10 171.40 2dn8 s HIS 93 N -0.01 1.47 0.87 1.54 2.46 -1.26 -4.96 115.29 115.39 2dn8 s HIS 93 Ca 0.05 -0.09 -0.12 0.00 0.47 0.00 0.00 55.06 55.38 2dn8 s HIS 93 Cb -0.05 -4.11 0.11 0.00 -0.13 0.00 0.00 32.58 28.41 2dn8 s HIS 93 CO -0.10 -4.77 1.12 -1.25 -2.47 0.00 0.00 174.74 167.27 2dn8 s PRO 94 N 4.70 1.51 -0.06 2.88 0.04 -1.26 -5.09 135.00 137.72 2dn8 s PRO 94 Ca 0.86 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2dn8 s PRO 94 Cb -0.38 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.39 2dn8 s PRO 94 CO 0.37 -1.97 0.82 0.45 0.04 0.00 0.00 177.00 176.71 2dn8 s SER 95 N -3.98 -0.49 -0.30 6.66 0.15 -1.26 -5.17 113.70 109.31 2dn8 s SER 95 Ca 0.63 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.47 2dn8 s SER 95 Cb -0.15 0.43 0.20 0.00 -1.71 0.00 0.00 66.02 64.79 2dn8 s SER 95 CO 0.54 -0.56 1.29 -0.83 1.20 0.00 0.00 173.24 174.88 2dn8 s GLY 96 N -1.58 0.31 -0.03 9.45 0.00 -1.26 -5.14 107.32 109.07 2dn8 s GLY 96 Ca -0.03 3.68 -0.30 0.00 0.00 0.00 0.00 44.72 48.06 2dn8 s GLY 96 CO 0.01 3.34 1.21 2.56 0.00 0.00 0.00 173.10 180.22 2dn8 s PRO 97 N 1.98 4.36 0.06 2.90 0.04 -1.26 -5.03 135.00 138.05 2dn8 s PRO 97 Ca -0.00 1.70 0.08 0.00 0.04 0.00 0.00 61.00 62.83 2dn8 s PRO 97 Cb -0.01 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 2dn8 s PRO 97 CO -0.16 -0.42 -0.23 -1.54 0.04 0.00 0.00 177.00 174.69 2dn8 s SER 98 N 1.45 2.71 0.28 6.66 1.04 -1.26 -4.97 113.70 119.60 2dn8 s SER 98 Ca 0.57 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2dn8 s SER 98 Cb -0.26 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2dn8 s SER 98 CO 0.23 0.17 0.00 -0.24 0.98 0.00 0.00 173.24 174.38 2dn8 n SER 99 N 1.65 -2.53 0.00 7.02 2.88 -1.26 -5.36 113.62 116.03 2dn8 n SER 99 Ca -0.17 0.68 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2dn8 n SER 99 Cb 0.53 2.52 0.00 0.00 -0.75 0.00 0.00 64.21 66.51 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42