#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 3.89 0.07 1.61 1.04 -1.26 -5.15 113.70 113.89 2dn8 s SER 2 Ca 0.00 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.45 2dn8 s SER 2 Cb 0.00 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.66 2dn8 s SER 2 CO 0.00 -0.14 -0.20 -0.55 0.98 0.00 0.00 173.24 173.33 2dn8 s SER 3 N -3.62 2.40 0.00 7.02 0.15 -1.26 -5.15 113.70 113.25 2dn8 s SER 3 Ca 0.32 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2dn8 s SER 3 Cb -0.01 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2dn8 s SER 3 CO 0.17 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dn8 n GLY 4 N 1.55 -2.46 3.64 9.45 0.00 -1.26 -5.09 105.19 111.03 2dn8 n GLY 4 Ca -0.18 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 2dn8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn8 s SER 5 N -1.79 -0.66 -0.29 1.61 1.04 -1.26 -5.17 113.70 107.19 2dn8 s SER 5 Ca 0.00 1.16 -0.21 0.00 0.48 0.00 0.00 55.95 57.37 2dn8 s SER 5 Cb 0.00 1.22 0.15 0.00 0.10 0.00 0.00 66.02 67.49 2dn8 s SER 5 CO 0.00 -0.19 1.11 -0.44 0.98 0.00 0.00 173.24 174.70 2dn8 s SER 6 N 0.85 -0.36 -0.01 7.02 0.01 -1.26 -5.15 113.70 114.80 2dn8 s SER 6 Ca -0.03 0.65 -0.22 0.00 1.31 0.00 0.00 55.95 57.66 2dn8 s SER 6 Cb -0.05 0.85 -0.05 0.00 0.21 0.00 0.00 66.02 66.99 2dn8 s SER 6 CO -0.10 -0.11 0.65 -0.83 0.41 0.00 0.00 173.24 173.27 2dn8 s GLY 7 N 0.61 2.65 -0.21 3.44 0.00 -1.26 -5.05 107.32 107.49 2dn8 s GLY 7 Ca -0.01 0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.73 2dn8 s GLY 7 CO -0.11 0.91 0.10 -1.08 0.00 0.00 0.00 173.10 172.93 2dn8 s THR 8 N 0.05 5.02 -0.41 0.90 -1.32 -1.26 -4.66 115.64 113.95 2dn8 s THR 8 Ca 0.34 0.05 -0.32 0.00 -1.21 0.00 0.00 61.69 60.55 2dn8 s THR 8 Cb -0.19 -3.30 0.05 0.00 -1.51 0.00 0.00 72.50 67.55 2dn8 s THR 8 CO 0.18 0.41 0.60 0.00 -2.21 0.00 0.00 174.62 173.60 2dn8 s VAL 10 N -1.64 2.81 -0.20 0.00 1.01 -1.26 -4.47 120.40 116.65 2dn8 s VAL 10 Ca 0.33 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 2dn8 s VAL 10 Cb -0.04 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2dn8 s VAL 10 CO 0.80 -0.12 0.10 0.33 0.00 0.00 0.00 175.10 176.20 2dn8 n PHE 11 N -1.62 -3.39 -3.87 5.22 -0.00 -1.26 -5.09 117.46 107.45 2dn8 n PHE 11 Ca 0.13 1.74 -0.09 0.00 -0.00 0.00 0.00 57.45 59.22 2dn8 n PHE 11 Cb 0.50 -3.48 -0.06 0.00 -0.00 0.00 0.00 39.48 36.44 2dn8 n PHE 11 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2dn8 s GLU 12 N -1.03 1.08 -1.12 -4.13 -6.30 -1.26 -5.09 118.70 100.85 2dn8 s GLU 12 Ca -0.11 -1.03 -0.09 0.00 -2.50 0.00 0.00 54.97 51.23 2dn8 s GLU 12 Cb 0.01 0.39 0.27 0.00 0.00 0.00 0.00 34.13 34.80 2dn8 s GLU 12 CO 0.63 -0.40 1.13 0.15 0.02 0.00 0.00 175.26 176.79 2dn8 s LYS 13 N -3.91 4.19 -0.84 4.30 3.01 -1.26 -4.95 119.74 120.28 2dn8 s LYS 13 Ca 0.11 -3.17 -0.09 0.00 -1.01 0.00 0.00 55.97 51.81 2dn8 s LYS 13 Cb 0.03 -4.59 0.22 0.00 -1.01 0.00 0.00 37.83 32.48 2dn8 s LYS 13 CO -0.05 -1.28 0.76 -1.21 0.51 0.00 0.00 175.35 174.09 2dn8 s GLU 14 N -1.07 3.43 -0.46 1.68 2.02 -1.26 -4.88 118.70 118.16 2dn8 s GLU 14 Ca 0.31 -2.74 0.07 0.00 0.02 0.00 0.00 54.97 52.64 2dn8 s GLU 14 Cb -0.10 -4.23 0.18 0.00 0.10 0.00 0.00 34.13 30.09 2dn8 s GLU 14 CO -0.08 -1.25 0.66 1.21 0.02 0.00 0.00 175.26 175.82 2dn8 s ASN 15 N 1.33 -1.26 0.15 -0.19 3.84 -1.26 -5.15 114.94 112.40 2dn8 s ASN 15 Ca 0.21 -1.35 -0.11 0.00 0.21 0.00 0.00 52.86 51.82 2dn8 s ASN 15 Cb -0.12 1.79 -0.07 0.00 -0.55 0.00 0.00 41.25 42.30 2dn8 s ASN 15 CO -0.08 -0.12 0.49 -1.81 -2.79 0.00 0.00 177.10 172.79 2dn8 s ASP 16 N 1.30 6.68 0.42 -4.21 1.01 -1.26 -4.98 116.67 115.63 2dn8 s ASP 16 Ca 0.23 0.89 0.28 0.00 0.71 0.00 0.00 52.55 54.66 2dn8 s ASP 16 Cb -0.02 -2.22 0.88 0.00 1.01 0.00 0.00 42.92 42.57 2dn8 s ASP 16 CO -0.06 0.06 1.79 1.55 0.21 0.00 0.00 175.17 178.72 2dn8 h PRO 17 N 3.21 0.00 -1.83 8.23 0.13 -2.01 -3.21 132.00 136.53 2dn8 h PRO 17 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.95 2dn8 h PRO 17 Cb 1.18 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.98 2dn8 h PRO 17 CO 0.68 0.00 0.33 0.25 -0.23 0.00 0.00 178.00 179.02 2dn8 n THR 18 N -2.86 3.19 -4.19 1.56 -2.24 -1.26 -4.91 114.28 103.57 2dn8 n THR 18 Ca 0.03 -4.63 -0.18 0.00 -2.27 0.00 0.00 64.05 57.00 2dn8 n THR 18 Cb 0.39 -1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 67.20 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 -5.22 0.50 -0.88 2.28 0.11 -1.21 -2.87 120.40 113.10 2dn8 s VAL 19 Ca 0.50 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 59.26 2dn8 s VAL 19 Cb 0.41 -0.46 0.23 0.00 -1.53 0.00 0.00 36.38 35.03 2dn8 s VAL 19 CO -0.31 0.17 0.81 -0.76 -3.33 0.00 0.00 175.10 171.67 2dn8 s LEU 20 N 0.27 6.23 0.40 2.54 1.43 0.32 -4.79 118.68 125.09 2dn8 s LEU 20 Ca -0.03 -3.11 -0.12 0.00 -1.03 0.00 0.00 54.13 49.84 2dn8 s LEU 20 Cb -0.07 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 2dn8 s LEU 20 CO -0.00 -0.41 0.79 -0.13 0.23 0.00 0.00 176.35 176.83 2dn8 s ARG 21 N -0.47 3.84 0.10 1.70 0.52 -1.26 -1.23 118.95 122.14 2dn8 s ARG 21 Ca 0.22 0.56 -0.25 0.00 -0.52 0.00 0.00 55.73 55.74 2dn8 s ARG 21 Cb -0.11 -2.37 -0.06 0.00 0.52 0.00 0.00 34.95 32.92 2dn8 s ARG 21 CO -0.08 -0.03 0.78 0.45 0.02 0.00 0.00 175.30 176.44 2dn8 s SER 22 N -2.99 7.30 0.36 0.23 0.15 -0.39 -4.90 113.70 113.46 2dn8 s SER 22 Ca 0.53 1.55 0.27 0.00 0.70 0.00 0.00 55.95 58.99 2dn8 s SER 22 Cb -0.10 -2.49 0.88 0.00 -1.71 0.00 0.00 66.02 62.60 2dn8 s SER 22 CO 0.29 0.09 1.77 1.55 1.20 0.00 0.00 173.24 178.14 2dn8 h PRO 23 N 5.12 0.00 -1.83 5.44 0.13 -1.92 -2.98 132.00 135.96 2dn8 h PRO 23 Ca -0.45 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2dn8 h PRO 23 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2dn8 h PRO 23 CO 0.69 0.00 0.50 0.45 -0.23 0.00 0.00 178.00 179.41 2dn8 s SER 24 N -5.13 -0.39 1.19 1.44 0.15 -1.26 -4.77 113.70 104.92 2dn8 s SER 24 Ca 0.06 0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.83 2dn8 s SER 24 Cb 0.09 0.35 0.22 0.00 -1.71 0.00 0.00 66.02 64.96 2dn8 s SER 24 CO 0.55 -0.45 0.47 0.00 1.20 0.00 0.00 173.24 175.01 2dn8 n ALA 25 N 0.41 -3.59 0.00 5.45 0.00 -1.26 -4.50 120.51 117.02 2dn8 n ALA 25 Ca -0.10 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 51.99 2dn8 n ALA 25 Cb 0.59 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.76 -0.64 3.24 0.00 0.00 0.15 -4.64 105.19 105.06 2dn8 n GLY 26 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.03 0.50 0.73 1.61 2.20 0.32 -1.62 119.74 122.44 2dn8 s LYS 27 Ca 0.00 1.03 -0.16 0.00 -0.36 0.00 0.00 55.97 56.48 2dn8 s LYS 27 Cb 0.00 0.40 0.03 0.00 -1.51 0.00 0.00 37.83 36.75 2dn8 s LYS 27 CO 0.00 -0.48 1.19 -0.11 -0.36 0.00 0.00 175.35 175.59 2dn8 n LEU 28 N 5.42 4.88 0.07 5.43 7.94 -1.13 0.11 117.00 139.72 2dn8 n LEU 28 Ca -0.05 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2dn8 n LEU 28 Cb 0.50 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.94 2dn8 n LEU 28 CO 0.02 -1.49 0.00 0.35 -1.11 0.00 0.00 177.39 175.16 2dn8 n THR 29 N -2.59 0.59 -3.85 1.96 -2.24 -1.25 -3.22 114.28 103.67 2dn8 n THR 29 Ca 0.14 0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 62.09 2dn8 n THR 29 Cb 0.49 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.78 1.23 -0.10 -0.78 -2.07 -1.26 -4.36 119.66 110.54 2dn8 s GLN 30 Ca 0.00 -0.77 -0.02 0.00 -1.82 0.00 0.00 55.36 52.75 2dn8 s GLN 30 Cb 0.00 0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2dn8 s GLN 30 CO 0.00 -0.57 -0.00 0.71 -1.32 0.00 0.00 175.29 174.11 2dn8 s TYR 31 N -2.38 3.15 -0.91 9.60 2.02 -1.26 -3.15 117.35 124.41 2dn8 s TYR 31 Ca 0.20 0.14 0.27 0.00 -0.37 0.00 0.00 57.07 57.30 2dn8 s TYR 31 Cb -0.02 -1.82 0.80 0.00 -0.40 0.00 0.00 41.96 40.52 2dn8 s TYR 31 CO 0.04 0.40 1.64 0.25 -1.57 0.00 0.00 175.55 176.32 2dn8 n THR 32 N 2.35 0.12 -4.45 -0.71 -2.24 0.21 -4.85 114.28 104.71 2dn8 n THR 32 Ca -0.18 -0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.27 2dn8 n THR 32 Cb 0.53 -0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.04 2.41 0.59 2.28 -7.23 -1.14 -4.97 120.40 109.30 2dn8 s VAL 33 Ca 0.11 -2.09 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 2dn8 s VAL 33 Cb 0.17 -2.72 0.09 0.00 0.56 0.00 0.00 36.38 34.48 2dn8 s VAL 33 CO 0.63 -0.19 0.80 -1.61 -0.31 0.00 0.00 175.10 174.42 2dn8 s GLU 34 N -3.66 2.25 -0.24 4.82 2.02 -1.26 -4.89 118.70 117.74 2dn8 s GLU 34 Ca 0.34 -1.70 -0.39 0.00 0.02 0.00 0.00 54.97 53.24 2dn8 s GLU 34 Cb 0.02 -2.62 -0.15 0.00 0.10 0.00 0.00 34.13 31.48 2dn8 s GLU 34 CO 0.18 -0.92 1.79 -3.47 0.02 0.00 0.00 175.26 172.86 2dn8 n ASP 35 N -2.27 2.67 -0.77 -0.19 -0.08 -1.26 0.83 116.55 115.48 2dn8 n ASP 35 Ca 0.16 1.04 -0.06 0.00 -1.51 0.00 0.00 54.79 54.42 2dn8 n ASP 35 Cb 0.62 -1.20 -0.00 0.00 2.34 0.00 0.00 41.12 42.88 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dn8 n GLY 36 N 4.29 0.12 3.72 0.27 0.00 -1.18 -4.96 105.19 107.46 2dn8 n GLY 36 Ca 0.26 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.00 1.52 3.35 -0.02 0.00 0.24 -4.74 105.19 104.54 2dn8 n GLY 37 Ca -0.07 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 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 1.05 3.20 0.48 1.61 2.46 -1.26 0.00 115.29 122.83 2dn8 s HIS 38 Ca 0.74 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 55.28 2dn8 s HIS 38 Cb -0.50 -2.32 -0.00 0.00 -0.13 0.00 0.00 32.58 29.63 2dn8 s HIS 38 CO 0.34 -0.60 0.00 1.33 -2.47 0.00 0.00 174.74 173.34 2dn8 n VAL 39 N 4.90 0.00 -4.24 0.89 0.24 -1.19 -5.04 118.33 113.89 2dn8 n VAL 39 Ca -0.13 -2.29 -0.26 0.00 -2.04 0.00 0.00 64.34 59.62 2dn8 n VAL 39 Cb 0.47 0.46 -0.08 0.00 -1.47 0.00 0.00 33.84 33.22 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 -3.75 2.28 -0.74 7.34 -1.05 -1.26 -3.55 118.70 117.97 2dn8 s GLU 40 Ca 0.00 -1.20 -0.26 0.00 -0.15 0.00 0.00 54.97 53.36 2dn8 s GLU 40 Cb 0.00 -2.27 -0.08 0.00 -0.44 0.00 0.00 34.13 31.34 2dn8 s GLU 40 CO 0.00 0.44 2.20 0.00 0.95 0.00 0.00 175.26 178.85 2dn8 s ALA 41 N -1.81 1.35 0.00 -0.84 0.00 -1.26 -0.63 121.76 118.57 2dn8 s ALA 41 Ca 0.27 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2dn8 s ALA 41 Cb -0.09 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2dn8 s ALA 41 CO 0.18 -5.06 0.00 0.41 0.00 0.00 0.00 175.76 171.29 2dn8 n GLY 42 N 6.52 1.02 1.62 0.00 0.00 -1.19 -4.87 105.19 108.29 2dn8 n GLY 42 Ca 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.17 -4.25 1.61 7.64 0.20 -4.83 113.62 113.82 2dn8 n SER 43 Ca 0.00 -1.15 -0.31 0.00 1.01 0.00 0.00 58.87 58.43 2dn8 n SER 43 Cb 0.00 -0.43 -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 -3.03 2.95 -0.00 6.43 1.04 -1.26 -3.16 113.70 116.67 2dn8 s SER 44 Ca 0.32 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2dn8 s SER 44 Cb -0.01 -0.85 -0.02 0.00 0.10 0.00 0.00 66.02 65.24 2dn8 s SER 44 CO 0.23 0.23 0.08 0.00 0.98 0.00 0.00 173.24 174.75 2dn8 n TYR 45 N 3.01 0.00 -3.55 5.02 0.18 -0.26 -4.79 117.16 116.77 2dn8 n TYR 45 Ca -0.18 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.58 2dn8 n TYR 45 Cb 0.52 -0.01 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 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 -1.12 -1.12 -2.43 -3.48 0.00 -1.17 0.66 120.51 111.85 2dn8 n ALA 46 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.73 2dn8 n ALA 46 Cb 0.03 0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.03 1.77 0.09 0.00 2.02 -1.19 0.47 118.70 119.83 2dn8 s GLU 47 Ca 0.10 -1.94 -0.26 0.00 0.02 0.00 0.00 54.97 52.89 2dn8 s GLU 47 Cb -0.02 0.35 0.07 0.00 0.10 0.00 0.00 34.13 34.64 2dn8 s GLU 47 CO 0.04 -0.67 0.64 0.00 0.02 0.00 0.00 175.26 175.29 2dn8 s MET 48 N -3.39 1.18 -0.25 1.61 0.23 0.13 -3.97 119.30 114.85 2dn8 s MET 48 Ca 0.38 -0.24 0.02 0.00 -1.03 0.00 0.00 55.69 54.82 2dn8 s MET 48 Cb 0.02 0.55 0.05 0.00 -1.53 0.00 0.00 34.83 33.92 2dn8 s MET 48 CO 0.25 -0.48 -0.12 -2.00 -2.03 0.00 0.00 175.02 170.65 2dn8 s GLU 49 N -2.94 2.43 0.00 3.16 2.12 0.12 0.14 118.70 123.73 2dn8 s GLU 49 Ca -0.02 -1.22 0.03 0.00 0.36 0.00 0.00 54.97 54.12 2dn8 s GLU 49 Cb -0.01 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.52 2dn8 s GLU 49 CO -0.06 -0.49 -0.11 0.54 -0.54 0.00 0.00 175.26 174.60 2dn8 s VAL 50 N 1.16 0.84 -1.49 3.70 0.11 0.29 0.12 120.40 125.13 2dn8 s VAL 50 Ca -0.05 -0.53 -0.06 0.00 -2.93 0.00 0.00 61.98 58.40 2dn8 s VAL 50 Cb -0.18 -0.72 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2dn8 s VAL 50 CO -0.06 0.18 0.64 0.23 -3.33 0.00 0.00 175.10 172.75 2dn8 n MET 51 N 2.66 -4.84 -1.43 1.54 2.81 -1.26 0.14 117.12 116.73 2dn8 n MET 51 Ca -0.14 0.80 -0.15 0.00 -1.81 0.00 0.00 57.70 56.40 2dn8 n MET 51 Cb 0.56 -5.65 -0.06 0.00 -0.71 0.00 0.00 33.22 27.36 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 -4.07 -1.11 -4.79 0.03 4.76 -1.26 -4.97 118.16 106.76 2dn8 n LYS 52 Ca -0.08 1.02 -0.26 0.00 -2.87 0.00 0.00 58.31 56.12 2dn8 n LYS 52 Cb 0.60 -5.18 -0.15 0.00 -1.84 0.00 0.00 35.03 28.46 2dn8 n LYS 52 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2dn8 s MET 53 N -3.23 1.47 -0.18 1.97 -1.94 0.12 -5.12 119.30 112.38 2dn8 s MET 53 Ca 0.00 -0.80 -0.17 0.00 -1.71 0.00 0.00 55.69 53.01 2dn8 s MET 53 Cb 0.00 -1.49 -0.04 0.00 2.01 0.00 0.00 34.83 35.32 2dn8 s MET 53 CO 0.00 0.39 0.46 0.42 -0.01 0.00 0.00 175.02 176.28 2dn8 s ILE 54 N -0.62 5.16 -0.01 2.53 -1.09 -1.26 0.11 121.20 126.03 2dn8 s ILE 54 Ca 0.07 0.85 0.06 0.00 -2.23 0.00 0.00 60.65 59.41 2dn8 s ILE 54 Cb -0.08 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.99 2dn8 s ILE 54 CO 0.00 0.24 -0.20 -0.32 -1.23 0.00 0.00 174.94 173.44 2dn8 s MET 55 N 1.28 1.57 0.45 2.79 -2.45 0.37 -4.97 119.30 118.33 2dn8 s MET 55 Ca 0.22 -0.75 -0.21 0.00 -1.25 0.00 0.00 55.69 53.71 2dn8 s MET 55 Cb -0.15 -1.54 -0.10 0.00 1.25 0.00 0.00 34.83 34.29 2dn8 s MET 55 CO 0.09 0.42 1.00 0.99 1.05 0.00 0.00 175.02 178.57 2dn8 s THR 56 N -0.52 4.05 -0.19 10.11 2.01 -1.26 0.20 115.64 130.03 2dn8 s THR 56 Ca 0.08 1.31 -0.03 0.00 0.31 0.00 0.00 61.69 63.36 2dn8 s THR 56 Cb -0.08 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2dn8 s THR 56 CO -0.00 -0.24 -0.07 -0.76 -0.69 0.00 0.00 174.62 172.86 2dn8 s LEU 57 N -3.23 2.83 0.37 4.42 1.43 0.18 -4.83 118.68 119.84 2dn8 s LEU 57 Ca 0.64 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 2dn8 s LEU 57 Cb -0.14 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.33 2dn8 s LEU 57 CO 0.18 0.04 0.07 0.54 0.23 0.00 0.00 176.35 177.41 2dn8 s ASN 58 N 1.13 4.26 0.03 2.29 4.22 -1.25 -1.10 114.94 124.52 2dn8 s ASN 58 Ca 0.01 -1.04 -0.11 0.00 -2.14 0.00 0.00 52.86 49.59 2dn8 s ASN 58 Cb -0.14 -0.52 -0.06 0.00 1.28 0.00 0.00 41.25 41.81 2dn8 s ASN 58 CO -0.01 -0.35 0.37 0.68 -2.04 0.00 0.00 177.10 175.74 2dn8 s VAL 59 N -2.55 5.12 -0.15 3.54 -7.23 -1.19 -4.91 120.40 113.03 2dn8 s VAL 59 Ca 0.37 0.53 0.19 0.00 -1.81 0.00 0.00 61.98 61.26 2dn8 s VAL 59 Cb 0.02 -3.64 0.17 0.00 0.56 0.00 0.00 36.38 33.48 2dn8 s VAL 59 CO 0.20 0.41 1.57 1.56 -0.31 0.00 0.00 175.10 178.54 2dn8 h GLN 60 N 4.14 0.00 -2.47 4.82 4.20 -1.95 -3.15 115.11 120.70 2dn8 h GLN 60 Ca -0.50 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.13 2dn8 h GLN 60 Cb 1.20 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.72 2dn8 h GLN 60 CO 0.64 0.33 -0.31 -1.21 -0.67 0.00 0.00 178.83 177.61 2dn8 s GLU 61 N -3.18 0.39 0.55 1.46 2.02 -1.26 -4.90 118.70 113.78 2dn8 s GLU 61 Ca 0.04 1.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.91 2dn8 s GLU 61 Cb 0.08 0.28 -0.12 0.00 0.10 0.00 0.00 34.13 34.46 2dn8 s GLU 61 CO 0.70 -0.22 -0.30 2.89 0.02 0.00 0.00 175.26 178.36 2dn8 n ARG 62 N 5.05 0.00 0.00 1.61 1.85 -1.26 -4.78 116.66 119.13 2dn8 n ARG 62 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2dn8 n ARG 62 Cb 0.51 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 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 2.31 -0.60 2.77 2.89 0.00 -1.23 -4.34 105.19 106.99 2dn8 n GLY 63 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 0.60 0.25 1.61 0.52 -1.11 -3.15 118.95 116.11 2dn8 s ARG 64 Ca 0.00 0.11 -0.22 0.00 -0.52 0.00 0.00 55.73 55.10 2dn8 s ARG 64 Cb 0.00 -0.96 -0.09 0.00 0.52 0.00 0.00 34.95 34.42 2dn8 s ARG 64 CO 0.00 -0.30 0.79 0.08 0.02 0.00 0.00 175.30 175.89 2dn8 s VAL 65 N 1.96 4.46 0.11 3.52 1.01 0.10 -2.62 120.40 128.94 2dn8 s VAL 65 Ca 0.05 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.49 2dn8 s VAL 65 Cb -0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dn8 s VAL 65 CO -0.05 0.19 -0.02 -0.75 0.00 0.00 0.00 175.10 174.47 2dn8 s LYS 66 N -1.99 0.87 -0.05 2.72 2.36 -1.13 -2.19 119.74 120.33 2dn8 s LYS 66 Ca 0.45 -1.38 -0.28 0.00 -2.55 0.00 0.00 55.97 52.22 2dn8 s LYS 66 Cb -0.17 -0.05 -0.03 0.00 -1.05 0.00 0.00 37.83 36.53 2dn8 s LYS 66 CO 0.22 -0.11 0.89 -0.47 1.55 0.00 0.00 175.35 177.43 2dn8 s TYR 67 N -3.78 3.59 0.01 4.03 5.04 -1.26 -3.80 117.35 121.18 2dn8 s TYR 67 Ca 0.16 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 2dn8 s TYR 67 Cb 0.06 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.34 2dn8 s TYR 67 CO -0.03 -0.04 0.00 -0.89 -1.34 0.00 0.00 175.55 173.25 2dn8 n ILE 68 N 4.06 0.03 -3.33 3.14 2.08 -1.26 -4.93 119.36 119.16 2dn8 n ILE 68 Ca 0.04 0.01 -0.38 0.00 0.56 0.00 0.00 62.75 62.98 2dn8 n ILE 68 Cb 0.50 -0.70 -0.06 0.00 -0.75 0.00 0.00 39.64 38.63 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 -1.04 4.28 0.57 0.38 -0.14 -1.16 -5.04 119.74 117.59 2dn8 s LYS 69 Ca 0.00 0.48 -0.20 0.00 -1.36 0.00 0.00 55.97 54.89 2dn8 s LYS 69 Cb 0.00 -3.40 -0.05 0.00 -1.68 0.00 0.00 37.83 32.70 2dn8 s LYS 69 CO 0.00 0.25 1.07 0.54 -0.76 0.00 0.00 175.35 176.46 2dn8 n ARG 70 N 3.32 1.13 -2.46 1.68 1.74 -1.26 -4.91 116.66 115.89 2dn8 n ARG 70 Ca -0.08 0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 57.01 2dn8 n ARG 70 Cb 0.52 -2.26 -0.03 0.00 -1.02 0.00 0.00 32.46 29.67 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dn8 s PRO 71 N -2.74 4.43 0.00 5.56 0.04 -1.26 -3.30 135.00 137.73 2dn8 s PRO 71 Ca 0.74 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2dn8 s PRO 71 Cb -0.43 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2dn8 s PRO 71 CO 0.48 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.66 2dn8 n GLY 72 N 3.21 0.94 3.70 0.56 0.00 -1.20 -4.94 105.19 107.47 2dn8 n GLY 72 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 1.15 -0.47 4.61 0.00 -1.21 -4.82 121.76 119.02 2dn8 s ALA 73 Ca 0.00 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.86 2dn8 s ALA 73 Cb 0.00 -2.88 0.06 0.00 0.00 0.00 0.00 23.12 20.30 2dn8 s ALA 73 CO 0.00 -3.13 0.44 0.54 0.00 0.00 0.00 175.76 173.61 2dn8 s VAL 74 N -3.26 5.15 0.16 0.00 0.11 -1.26 -2.84 120.40 118.46 2dn8 s VAL 74 Ca 0.71 -0.88 -0.31 0.00 -2.93 0.00 0.00 61.98 58.57 2dn8 s VAL 74 Cb -0.09 -4.15 -0.09 0.00 -1.53 0.00 0.00 36.38 30.52 2dn8 s VAL 74 CO 0.55 -0.61 1.43 -0.76 -3.33 0.00 0.00 175.10 172.38 2dn8 s LEU 75 N 1.88 4.38 0.13 2.54 2.01 -0.64 -4.89 118.68 124.09 2dn8 s LEU 75 Ca 0.07 2.46 0.08 0.00 0.01 0.00 0.00 54.13 56.75 2dn8 s LEU 75 Cb -0.23 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.34 2dn8 s LEU 75 CO 0.08 -0.68 -0.20 -1.61 1.01 0.00 0.00 176.35 174.95 2dn8 s GLU 76 N 0.69 1.21 -0.01 1.70 2.02 -1.26 0.30 118.70 123.35 2dn8 s GLU 76 Ca 0.64 -1.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 2dn8 s GLU 76 Cb -0.39 -1.39 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 2dn8 s GLU 76 CO 0.34 0.31 1.77 0.00 0.02 0.00 0.00 175.26 177.69 2dn8 s ALA 77 N -1.56 3.61 -0.30 5.21 0.00 -1.26 -2.76 121.76 124.69 2dn8 s ALA 77 Ca 0.11 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 2dn8 s ALA 77 Cb -0.08 -3.78 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 2dn8 s ALA 77 CO 0.05 -1.44 0.26 0.41 0.00 0.00 0.00 175.76 175.04 2dn8 n GLY 78 N 4.28 0.29 3.46 0.00 0.00 -1.12 -4.88 105.19 107.22 2dn8 n GLY 78 Ca 0.18 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.32 5.04 0.05 0.00 0.11 -1.26 -1.26 120.40 119.74 2dn8 s VAL 80 Ca 0.33 0.79 -0.00 0.00 -2.93 0.00 0.00 61.98 60.17 2dn8 s VAL 80 Cb 0.07 -3.70 -0.00 0.00 -1.53 0.00 0.00 36.38 31.22 2dn8 s VAL 80 CO 0.15 0.54 -0.00 0.52 -3.33 0.00 0.00 175.10 172.98 2dn8 n VAL 81 N 1.70 0.57 -3.78 2.04 0.31 -0.37 -4.84 118.33 113.96 2dn8 n VAL 81 Ca -0.13 0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 2dn8 n VAL 81 Cb 0.52 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 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 -3.23 -0.59 -2.57 3.52 0.00 -1.16 -3.01 120.51 113.47 2dn8 n ALA 82 Ca -0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 53.44 52.10 2dn8 n ALA 82 Cb 0.27 0.83 -0.10 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.38 2.21 -0.20 0.00 1.81 -1.25 -0.52 118.95 118.62 2dn8 s ARG 83 Ca 0.17 -0.96 0.01 0.00 -1.72 0.00 0.00 55.73 53.23 2dn8 s ARG 83 Cb -0.02 -2.33 0.04 0.00 -0.45 0.00 0.00 34.95 32.19 2dn8 s ARG 83 CO 0.12 0.53 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.66 2dn8 s LEU 84 N -1.97 2.32 -0.48 2.53 1.43 -1.14 -2.84 118.68 118.54 2dn8 s LEU 84 Ca 0.20 -0.90 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2dn8 s LEU 84 Cb -0.11 -1.25 0.07 0.00 0.03 0.00 0.00 46.19 44.93 2dn8 s LEU 84 CO 0.12 -0.14 0.43 -0.70 0.23 0.00 0.00 176.35 176.28 2dn8 s GLU 85 N 1.38 3.00 -0.44 1.70 -6.30 -1.08 -4.24 118.70 112.73 2dn8 s GLU 85 Ca -0.01 -1.30 -0.41 0.00 -2.50 0.00 0.00 54.97 50.75 2dn8 s GLU 85 Cb -0.16 -4.13 -0.16 0.00 0.00 0.00 0.00 34.13 29.67 2dn8 s GLU 85 CO -0.08 -1.06 2.10 1.28 0.02 0.00 0.00 175.26 177.51 2dn8 n LEU 86 N 5.34 1.32 -0.11 2.70 4.77 -1.26 -2.74 117.00 127.02 2dn8 n LEU 86 Ca -0.12 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 2dn8 n LEU 86 Cb 0.44 -1.03 0.44 0.00 -2.33 0.00 0.00 43.42 40.93 2dn8 n LEU 86 CO 0.48 -0.74 0.69 -0.90 -1.33 0.00 0.00 177.39 175.60 2dn8 n ASP 87 N 7.92 0.61 -3.21 -1.43 5.68 -1.26 -4.21 116.55 120.64 2dn8 n ASP 87 Ca 0.47 -0.47 -0.24 0.00 -0.50 0.00 0.00 54.79 54.05 2dn8 n ASP 87 Cb 0.05 0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.00 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dn8 n ASP 88 N -1.07 0.46 0.17 -1.12 -0.08 -1.26 -4.91 116.55 108.74 2dn8 n ASP 88 Ca 0.10 -2.76 0.13 0.00 -1.51 0.00 0.00 54.79 50.76 2dn8 n ASP 88 Cb 0.32 -0.64 0.44 0.00 2.34 0.00 0.00 41.12 43.59 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 3.99 0.00 0.00 -0.67 0.13 -1.98 -3.44 132.00 130.03 2dn8 h PRO 89 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2dn8 h PRO 89 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2dn8 h PRO 89 CO 0.49 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.71 2dn8 n SER 90 N -2.57 0.00 -3.11 1.44 2.88 -1.26 -5.13 113.62 105.87 2dn8 n SER 90 Ca 0.03 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.59 2dn8 n SER 90 Cb 0.36 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.00 0.59 -0.73 -1.46 1.02 -1.26 -5.09 119.74 112.81 2dn8 s LYS 91 Ca 0.00 -0.02 -0.26 0.00 0.02 0.00 0.00 55.97 55.71 2dn8 s LYS 91 Cb 0.00 0.11 -0.15 0.00 -0.52 0.00 0.00 37.83 37.27 2dn8 s LYS 91 CO 0.00 -0.91 2.47 1.55 -0.92 0.00 0.00 175.35 177.54 2dn8 n VAL 92 N 4.54 -0.04 -1.66 3.17 3.14 -1.26 -4.78 118.33 121.44 2dn8 n VAL 92 Ca 0.09 -0.51 -0.56 0.00 -2.96 0.00 0.00 64.34 60.40 2dn8 n VAL 92 Cb 0.58 -1.79 -0.07 0.00 -1.06 0.00 0.00 33.84 31.50 2dn8 n VAL 92 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2dn8 n HIS 93 N 13.97 2.00 0.04 1.45 8.25 -1.26 -4.88 115.22 134.79 2dn8 n HIS 93 Ca 0.49 0.44 -0.02 0.00 -0.26 0.00 0.00 57.72 58.38 2dn8 n HIS 93 Cb 0.35 -2.49 -0.01 0.00 1.12 0.00 0.00 29.99 28.96 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2dn8 h PRO 94 N 8.28 -0.12 -6.03 -0.41 0.13 -2.07 -3.46 132.00 128.32 2dn8 h PRO 94 Ca -0.43 0.01 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 2dn8 h PRO 94 Cb 1.32 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 2dn8 h PRO 94 CO 0.97 -0.08 -0.40 0.45 -0.23 0.00 0.00 178.00 178.72 2dn8 s SER 95 N -3.64 6.44 0.71 1.44 0.15 -1.26 -5.11 113.70 112.43 2dn8 s SER 95 Ca -0.02 0.46 -0.02 0.00 0.70 0.00 0.00 55.95 57.08 2dn8 s SER 95 Cb 0.00 -2.04 0.12 0.00 -1.71 0.00 0.00 66.02 62.40 2dn8 s SER 95 CO 0.06 0.13 0.83 0.61 1.20 0.00 0.00 173.24 176.07 2dn8 n GLY 96 N 0.33 0.41 3.82 9.45 0.00 -1.26 -5.08 105.19 112.86 2dn8 n GLY 96 Ca -0.05 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 2dn8 n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn8 s PRO 97 N -4.66 2.81 -0.20 1.61 0.04 -1.26 -5.08 135.00 128.27 2dn8 s PRO 97 Ca 0.54 0.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2dn8 s PRO 97 Cb -0.03 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2dn8 s PRO 97 CO 0.36 -1.17 0.53 -1.54 0.04 0.00 0.00 177.00 175.21 2dn8 s SER 98 N -3.81 -0.61 -0.30 6.66 1.04 -1.26 -5.16 113.70 110.26 2dn8 s SER 98 Ca 0.58 1.10 -0.27 0.00 0.48 0.00 0.00 55.95 57.84 2dn8 s SER 98 Cb -0.14 1.05 0.20 0.00 0.10 0.00 0.00 66.02 67.23 2dn8 s SER 98 CO 0.55 -0.20 1.43 -0.94 0.98 0.00 0.00 173.24 175.06 2dn8 s SER 99 N 0.79 -0.01 0.00 7.02 1.04 -1.26 -5.35 113.70 115.93 2dn8 s SER 99 Ca -0.04 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2dn8 s SER 99 Cb -0.05 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dn8 s SER 99 CO -0.06 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.76