#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 2.00 -0.06 1.61 0.15 -1.26 -5.15 113.70 111.00 2dn8 s SER 2 Ca 0.00 -0.78 -0.31 0.00 0.70 0.00 0.00 55.95 55.56 2dn8 s SER 2 Cb 0.00 -0.07 0.12 0.00 -1.71 0.00 0.00 66.02 64.36 2dn8 s SER 2 CO 0.00 -0.12 1.24 -0.44 1.20 0.00 0.00 173.24 175.12 2dn8 s SER 3 N -2.33 -0.09 0.30 5.45 0.01 -1.26 -5.19 113.70 110.59 2dn8 s SER 3 Ca 0.07 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.24 2dn8 s SER 3 Cb -0.06 0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.36 2dn8 s SER 3 CO 0.03 -0.31 0.08 0.61 0.41 0.00 0.00 173.24 174.06 2dn8 n GLY 4 N -0.37 3.49 3.64 3.44 0.00 -1.26 -5.16 105.19 108.97 2dn8 n GLY 4 Ca -0.06 -2.28 -0.05 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.69 -0.24 0.60 1.61 1.04 -1.26 -5.15 113.70 107.61 2dn8 s SER 5 Ca 0.06 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2dn8 s SER 5 Cb -0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2dn8 s SER 5 CO 0.04 -0.71 0.00 -1.20 0.98 0.00 0.00 173.24 172.35 2dn8 n SER 6 N -0.37 -8.42 0.00 7.02 7.64 -1.26 -4.98 113.62 113.26 2dn8 n SER 6 Ca -0.07 1.84 0.00 0.00 1.01 0.00 0.00 58.87 61.65 2dn8 n SER 6 Cb 0.61 -5.09 0.00 0.00 -1.01 0.00 0.00 64.21 58.72 2dn8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 7 N -2.84 2.96 3.62 0.23 0.00 -1.26 -5.10 105.19 102.80 2dn8 n GLY 7 Ca -0.01 -0.52 -0.57 0.00 0.00 0.00 0.00 46.02 44.92 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 0.07 -3.99 2.61 -1.04 -1.26 -4.91 114.28 105.75 2dn8 n THR 8 Ca 0.00 -0.01 -0.31 0.00 -2.04 0.00 0.00 64.05 61.69 2dn8 n THR 8 Cb 0.00 -0.66 -0.15 0.00 -1.82 0.00 0.00 70.33 67.71 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 3.89 0.57 -4.68 0.00 0.24 -1.26 -4.98 118.33 112.12 2dn8 n VAL 10 Ca 0.04 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.34 61.62 2dn8 n VAL 10 Cb 0.39 -0.20 -0.15 0.00 -1.47 0.00 0.00 33.84 32.41 2dn8 n VAL 10 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 2dn8 s PHE 11 N -1.95 1.43 0.66 6.34 5.36 -1.26 -5.13 117.98 123.44 2dn8 s PHE 11 Ca 0.57 -0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 56.08 2dn8 s PHE 11 Cb -0.42 -0.90 -0.00 0.00 -0.34 0.00 0.00 43.02 41.35 2dn8 s PHE 11 CO 0.66 -0.00 1.27 -1.21 -1.46 0.00 0.00 175.22 174.47 2dn8 s GLU 12 N -0.57 2.52 -0.66 10.12 2.02 -1.26 -3.88 118.70 126.99 2dn8 s GLU 12 Ca 0.06 1.98 -0.02 0.00 0.02 0.00 0.00 54.97 57.01 2dn8 s GLU 12 Cb -0.07 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 2dn8 s GLU 12 CO -0.00 -1.60 0.61 1.63 0.02 0.00 0.00 175.26 175.91 2dn8 n LYS 13 N -2.02 -1.27 -3.30 1.61 5.02 -1.26 -5.04 118.16 111.89 2dn8 n LYS 13 Ca 0.15 1.09 -0.07 0.00 -2.02 0.00 0.00 58.31 57.46 2dn8 n LYS 13 Cb 0.49 -4.87 -0.06 0.00 -0.02 0.00 0.00 35.03 30.57 2dn8 n LYS 13 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2dn8 s GLU 14 N -3.35 0.41 0.13 1.97 2.12 -1.25 -5.02 118.70 113.70 2dn8 s GLU 14 Ca 0.12 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2dn8 s GLU 14 Cb -0.02 -0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.09 2dn8 s GLU 14 CO 0.59 -0.83 0.00 -1.71 -0.54 0.00 0.00 175.26 172.77 2dn8 n ASN 15 N 5.37 -0.27 -2.83 -1.70 2.85 -1.26 -5.05 115.26 112.38 2dn8 n ASN 15 Ca -0.01 0.23 -0.03 0.00 -0.11 0.00 0.00 54.58 54.66 2dn8 n ASN 15 Cb 0.50 0.37 -0.02 0.00 1.24 0.00 0.00 39.78 41.87 2dn8 n ASN 15 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2dn8 n ASP 16 N -2.91 -4.09 0.00 1.20 8.00 -1.26 -4.78 116.55 112.72 2dn8 n ASP 16 Ca 0.00 1.15 0.12 0.00 0.71 0.00 0.00 54.79 56.77 2dn8 n ASP 16 Cb 0.00 -3.68 0.70 0.00 -0.02 0.00 0.00 41.12 38.12 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2dn8 n PRO 17 N 1.90 0.75 -1.60 -0.24 -0.04 -1.26 -3.03 135.00 131.49 2dn8 n PRO 17 Ca -0.21 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 2dn8 n PRO 17 Cb 0.36 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.99 3.15 -4.38 0.52 -2.24 -1.26 -4.93 114.28 104.14 2dn8 n THR 18 Ca 0.18 -3.44 -0.25 0.00 -2.27 0.00 0.00 64.05 58.26 2dn8 n THR 18 Cb 0.08 -1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 67.02 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 -4.68 1.06 -1.01 2.28 0.11 -1.17 -1.75 120.40 115.24 2dn8 s VAL 19 Ca 0.59 -0.40 -0.17 0.00 -2.93 0.00 0.00 61.98 59.07 2dn8 s VAL 19 Cb 0.47 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.46 2dn8 s VAL 19 CO 0.01 0.35 1.20 -0.76 -3.33 0.00 0.00 175.10 172.57 2dn8 s LEU 20 N 0.94 5.19 0.74 2.54 1.43 0.21 -4.86 118.68 124.87 2dn8 s LEU 20 Ca -0.09 -2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 50.50 2dn8 s LEU 20 Cb -0.15 -2.38 0.05 0.00 0.03 0.00 0.00 46.19 43.73 2dn8 s LEU 20 CO 0.00 -0.92 1.10 -0.13 0.23 0.00 0.00 176.35 176.64 2dn8 s ARG 21 N 2.11 2.41 -0.27 1.70 0.52 -1.26 -1.91 118.95 122.26 2dn8 s ARG 21 Ca 0.35 0.19 -0.19 0.00 -0.52 0.00 0.00 55.73 55.56 2dn8 s ARG 21 Cb -0.05 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 2dn8 s ARG 21 CO -0.07 -1.26 0.56 0.45 0.02 0.00 0.00 175.30 175.01 2dn8 s SER 22 N -4.46 6.47 0.40 0.23 0.15 0.11 -4.81 113.70 111.79 2dn8 s SER 22 Ca 0.60 0.52 0.27 0.00 0.70 0.00 0.00 55.95 58.04 2dn8 s SER 22 Cb -0.11 -2.30 0.88 0.00 -1.71 0.00 0.00 66.02 62.78 2dn8 s SER 22 CO 0.49 -0.35 1.78 1.55 1.20 0.00 0.00 173.24 177.91 2dn8 h PRO 23 N 8.04 0.00 -2.71 5.44 0.13 -1.90 0.19 132.00 141.19 2dn8 h PRO 23 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2dn8 h PRO 23 Cb 1.13 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2dn8 h PRO 23 CO 0.75 0.00 0.26 0.45 -0.23 0.00 0.00 178.00 179.22 2dn8 s SER 24 N -5.38 -0.55 1.08 1.44 0.15 -1.26 -4.74 113.70 104.44 2dn8 s SER 24 Ca 0.05 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 2dn8 s SER 24 Cb 0.08 0.55 0.24 0.00 -1.71 0.00 0.00 66.02 65.18 2dn8 s SER 24 CO 0.57 -0.85 1.06 0.00 1.20 0.00 0.00 173.24 175.22 2dn8 s ALA 25 N -3.21 0.19 0.00 5.45 0.00 -1.26 -4.37 121.76 118.56 2dn8 s ALA 25 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2dn8 s ALA 25 Cb -0.01 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2dn8 s ALA 25 CO -0.09 -3.40 0.00 0.41 0.00 0.00 0.00 175.76 172.69 2dn8 n GLY 26 N 0.10 -0.70 3.15 0.00 0.00 0.33 -4.59 105.19 103.48 2dn8 n GLY 26 Ca 0.04 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.14 0.43 0.67 1.61 2.20 0.60 -2.15 119.74 121.96 2dn8 s LYS 27 Ca 0.00 0.74 -0.17 0.00 -0.36 0.00 0.00 55.97 56.18 2dn8 s LYS 27 Cb 0.00 0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2dn8 s LYS 27 CO 0.00 -0.49 0.88 -0.11 -0.36 0.00 0.00 175.35 175.27 2dn8 n LEU 28 N 5.44 3.08 0.05 5.43 7.94 -1.05 -1.21 117.00 136.67 2dn8 n LEU 28 Ca -0.03 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.58 2dn8 n LEU 28 Cb 0.52 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2dn8 n LEU 28 CO -0.02 -2.19 -0.09 0.35 -1.11 0.00 0.00 177.39 174.33 2dn8 n THR 29 N -2.18 0.18 -3.79 1.96 -2.24 -1.26 -3.13 114.28 103.83 2dn8 n THR 29 Ca 0.13 0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.95 2dn8 n THR 29 Cb 0.49 -0.83 0.02 0.00 -2.10 0.00 0.00 70.33 67.90 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n GLN 30 N -3.05 0.46 -4.26 -0.78 10.64 -1.26 -4.38 117.38 114.74 2dn8 n GLN 30 Ca 0.00 -1.06 -0.25 0.00 -1.83 0.00 0.00 57.00 53.86 2dn8 n GLN 30 Cb 0.09 1.45 -0.08 0.00 -0.86 0.00 0.00 30.24 30.83 2dn8 n GLN 30 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2dn8 s TYR 31 N -3.07 2.58 -0.30 2.61 -0.85 -1.26 -3.20 117.35 113.86 2dn8 s TYR 31 Ca 0.17 -0.57 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2dn8 s TYR 31 Cb -0.02 -1.83 0.10 0.00 0.38 0.00 0.00 41.96 40.60 2dn8 s TYR 31 CO 0.04 0.30 1.09 0.25 -1.52 0.00 0.00 175.55 175.70 2dn8 n THR 32 N -1.13 1.02 -4.10 -3.49 -2.24 0.27 -4.90 114.28 99.71 2dn8 n THR 32 Ca -0.02 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.61 2dn8 n THR 32 Cb 0.65 0.49 -0.11 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.04 0.62 0.98 2.28 -7.23 -1.20 -4.93 120.40 109.87 2dn8 s VAL 33 Ca 0.08 -1.38 -0.16 0.00 -1.81 0.00 0.00 61.98 58.71 2dn8 s VAL 33 Cb 0.04 -1.00 0.22 0.00 0.56 0.00 0.00 36.38 36.21 2dn8 s VAL 33 CO 0.05 -0.55 1.33 -1.83 -0.31 0.00 0.00 175.10 173.80 2dn8 s GLU 34 N -2.36 0.43 -0.07 4.82 -1.05 -1.26 -4.78 118.70 114.42 2dn8 s GLU 34 Ca -0.02 -0.57 -0.39 0.00 -0.15 0.00 0.00 54.97 53.83 2dn8 s GLU 34 Cb -0.05 -1.86 -0.18 0.00 -0.44 0.00 0.00 34.13 31.61 2dn8 s GLU 34 CO -0.01 -2.52 1.38 -3.47 0.95 0.00 0.00 175.26 171.58 2dn8 n ASP 35 N -3.80 1.33 -3.77 0.83 2.03 -1.26 0.11 116.55 112.02 2dn8 n ASP 35 Ca 0.17 1.13 -0.29 0.00 0.52 0.00 0.00 54.79 56.32 2dn8 n ASP 35 Cb 0.59 -1.08 -0.01 0.00 -0.72 0.00 0.00 41.12 39.90 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 2.76 -0.47 3.74 0.27 0.00 -1.21 -4.84 105.19 105.44 2dn8 n GLY 36 Ca 0.22 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.30 1.31 3.74 -0.02 0.00 0.29 -4.55 105.19 104.66 2dn8 n GLY 37 Ca 0.03 0.46 -0.35 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 -0.02 3.38 0.29 1.61 5.04 -1.26 -0.24 115.29 124.09 2dn8 s HIS 38 Ca 0.64 0.29 0.07 0.00 -1.54 0.00 0.00 55.06 54.51 2dn8 s HIS 38 Cb -0.50 -2.01 -0.02 0.00 0.04 0.00 0.00 32.58 30.08 2dn8 s HIS 38 CO 0.49 0.41 0.24 1.33 -2.34 0.00 0.00 174.74 174.87 2dn8 n VAL 39 N 2.86 0.00 -3.83 0.89 0.24 -1.02 -5.02 118.33 112.45 2dn8 n VAL 39 Ca -0.18 -2.10 -0.23 0.00 -2.04 0.00 0.00 64.34 59.79 2dn8 n VAL 39 Cb 0.53 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.92 2dn8 n VAL 39 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dn8 s GLU 40 N -3.17 3.46 -0.38 7.34 2.02 -1.26 -3.03 118.70 123.68 2dn8 s GLU 40 Ca 0.34 -0.60 -0.27 0.00 0.02 0.00 0.00 54.97 54.46 2dn8 s GLU 40 Cb 0.02 -2.86 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2dn8 s GLU 40 CO 0.24 0.40 2.10 0.00 0.02 0.00 0.00 175.26 178.02 2dn8 s ALA 41 N -1.97 2.40 0.00 5.21 0.00 -1.26 -1.19 121.76 124.96 2dn8 s ALA 41 Ca 0.36 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.55 2dn8 s ALA 41 Cb -0.10 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.86 2dn8 s ALA 41 CO 0.30 -3.34 0.00 0.41 0.00 0.00 0.00 175.76 173.13 2dn8 n GLY 42 N 5.72 1.45 3.59 0.00 0.00 -1.09 -4.86 105.19 110.00 2dn8 n GLY 42 Ca 0.28 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.46 -4.76 1.61 7.64 -0.33 -4.49 113.62 112.83 2dn8 n SER 43 Ca 0.00 0.34 -0.37 0.00 1.01 0.00 0.00 58.87 59.84 2dn8 n SER 43 Cb 0.00 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 61.75 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 -2.46 6.63 -0.02 6.43 1.04 -1.26 -2.11 113.70 121.94 2dn8 s SER 44 Ca 0.65 0.74 0.06 0.00 0.48 0.00 0.00 55.95 57.87 2dn8 s SER 44 Cb -0.23 -2.23 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 2dn8 s SER 44 CO 0.61 0.14 0.10 0.00 0.98 0.00 0.00 173.24 175.07 2dn8 n TYR 45 N 3.07 0.00 -3.87 5.02 0.18 0.24 -4.82 117.16 116.98 2dn8 n TYR 45 Ca -0.11 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.56 2dn8 n TYR 45 Cb 0.52 -0.17 0.01 0.00 -0.38 0.00 0.00 39.34 39.32 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 -1.84 -1.40 -2.26 -3.48 0.00 -1.14 0.96 120.51 111.34 2dn8 n ALA 46 Ca -0.03 -1.38 -0.17 0.00 0.00 0.00 0.00 53.44 51.86 2dn8 n ALA 46 Cb 0.30 1.10 -0.09 0.00 0.00 0.00 0.00 19.45 20.76 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 -2.29 1.56 0.14 0.00 2.02 -1.19 0.10 118.70 119.04 2dn8 s GLU 47 Ca 0.20 -1.89 -0.15 0.00 0.02 0.00 0.00 54.97 53.15 2dn8 s GLU 47 Cb -0.04 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.49 2dn8 s GLU 47 CO 0.14 -0.55 0.40 0.00 0.02 0.00 0.00 175.26 175.27 2dn8 s MET 48 N -3.71 1.11 -0.29 1.61 0.23 0.13 -4.14 119.30 114.25 2dn8 s MET 48 Ca 0.40 -0.79 0.03 0.00 -1.03 0.00 0.00 55.69 54.30 2dn8 s MET 48 Cb 0.04 0.46 0.07 0.00 -1.53 0.00 0.00 34.83 33.88 2dn8 s MET 48 CO 0.22 -0.43 -0.05 -2.00 -2.03 0.00 0.00 175.02 170.73 2dn8 s GLU 49 N -3.83 1.90 0.02 3.16 2.12 -0.35 0.84 118.70 122.54 2dn8 s GLU 49 Ca 0.05 -1.51 0.06 0.00 0.36 0.00 0.00 54.97 53.94 2dn8 s GLU 49 Cb 0.02 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.43 2dn8 s GLU 49 CO -0.10 -0.71 -0.18 0.54 -0.54 0.00 0.00 175.26 174.27 2dn8 s VAL 50 N 1.06 1.43 -1.42 3.70 0.11 0.43 -0.29 120.40 125.41 2dn8 s VAL 50 Ca -0.01 -0.94 -0.10 0.00 -2.93 0.00 0.00 61.98 57.99 2dn8 s VAL 50 Cb -0.20 -1.22 0.07 0.00 -1.53 0.00 0.00 36.38 33.50 2dn8 s VAL 50 CO -0.07 0.26 0.67 0.23 -3.33 0.00 0.00 175.10 172.86 2dn8 n MET 51 N 2.24 -4.31 -1.01 1.54 2.81 -1.26 0.17 117.12 117.30 2dn8 n MET 51 Ca -0.16 0.59 -0.00 0.00 -1.81 0.00 0.00 57.70 56.32 2dn8 n MET 51 Cb 0.54 -5.39 -0.00 0.00 -0.71 0.00 0.00 33.22 27.66 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 -4.09 -1.28 -4.43 0.03 5.02 -1.26 -4.96 118.16 107.18 2dn8 n LYS 52 Ca -0.01 0.33 -0.30 0.00 -2.02 0.00 0.00 58.31 56.31 2dn8 n LYS 52 Cb 0.55 -4.30 -0.11 0.00 -0.02 0.00 0.00 35.03 31.15 2dn8 n LYS 52 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2dn8 s MET 53 N -1.32 2.10 -0.21 1.97 1.75 0.44 -5.11 119.30 118.92 2dn8 s MET 53 Ca 0.00 -1.00 -0.12 0.00 -1.25 0.00 0.00 55.69 53.32 2dn8 s MET 53 Cb 0.00 -2.25 -0.05 0.00 2.84 0.00 0.00 34.83 35.37 2dn8 s MET 53 CO 0.00 0.53 0.24 0.42 -0.65 0.00 0.00 175.02 175.55 2dn8 s ILE 54 N -1.07 5.32 -0.02 10.11 -1.09 -1.26 0.16 121.20 133.35 2dn8 s ILE 54 Ca 0.18 0.37 0.07 0.00 -2.23 0.00 0.00 60.65 59.04 2dn8 s ILE 54 Cb -0.11 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.18 2dn8 s ILE 54 CO 0.09 0.34 -0.25 -0.04 -1.23 0.00 0.00 174.94 173.85 2dn8 s MET 55 N 0.95 2.06 0.37 2.79 -1.94 0.25 -4.95 119.30 118.82 2dn8 s MET 55 Ca 0.12 -0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 52.99 2dn8 s MET 55 Cb -0.13 -1.96 -0.10 0.00 2.01 0.00 0.00 34.83 34.65 2dn8 s MET 55 CO 0.04 0.51 0.93 0.99 -0.01 0.00 0.00 175.02 177.48 2dn8 s THR 56 N -0.53 4.33 -0.20 2.05 2.01 -1.26 0.22 115.64 122.26 2dn8 s THR 56 Ca 0.08 1.61 -0.02 0.00 0.31 0.00 0.00 61.69 63.67 2dn8 s THR 56 Cb -0.10 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 2dn8 s THR 56 CO -0.00 -0.08 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.00 2dn8 s LEU 57 N -2.61 2.73 0.30 4.42 1.43 0.29 -4.87 118.68 120.37 2dn8 s LEU 57 Ca 0.55 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2dn8 s LEU 57 Cb -0.14 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2dn8 s LEU 57 CO 0.18 0.01 0.24 0.54 0.23 0.00 0.00 176.35 177.56 2dn8 s ASN 58 N 1.27 5.34 0.02 2.29 2.20 -1.26 -0.60 114.94 124.21 2dn8 s ASN 58 Ca 0.03 -0.41 -0.21 0.00 -0.94 0.00 0.00 52.86 51.34 2dn8 s ASN 58 Cb -0.14 -1.14 -0.06 0.00 -2.00 0.00 0.00 41.25 37.91 2dn8 s ASN 58 CO -0.04 -0.21 0.60 0.68 -2.94 0.00 0.00 177.10 175.19 2dn8 s VAL 59 N -2.24 4.84 0.43 3.54 -7.23 -0.90 -4.87 120.40 113.97 2dn8 s VAL 59 Ca 0.37 1.27 0.16 0.00 -1.81 0.00 0.00 61.98 61.98 2dn8 s VAL 59 Cb -0.07 -3.94 0.19 0.00 0.56 0.00 0.00 36.38 33.13 2dn8 s VAL 59 CO 0.26 0.45 1.98 1.56 -0.31 0.00 0.00 175.10 179.04 2dn8 h GLN 60 N 5.31 0.00 -2.12 4.82 1.08 -1.94 -2.89 115.11 119.37 2dn8 h GLN 60 Ca -0.46 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 2dn8 h GLN 60 Cb 1.20 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.42 2dn8 h GLN 60 CO 0.68 0.20 -0.02 -1.21 -0.95 0.00 0.00 178.83 177.53 2dn8 s GLU 61 N -4.49 0.67 0.66 1.46 2.02 -1.26 -4.83 118.70 112.93 2dn8 s GLU 61 Ca -0.04 1.12 -0.15 0.00 0.02 0.00 0.00 54.97 55.93 2dn8 s GLU 61 Cb 0.15 0.15 -0.13 0.00 0.10 0.00 0.00 34.13 34.40 2dn8 s GLU 61 CO 0.68 -0.14 -0.42 2.89 0.02 0.00 0.00 175.26 178.28 2dn8 n ARG 62 N 4.10 0.00 0.00 1.61 1.85 -1.26 -4.78 116.66 118.18 2dn8 n ARG 62 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 2dn8 n ARG 62 Cb 0.58 -0.86 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 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 2.61 -0.10 3.02 2.89 0.00 -1.17 -4.60 105.19 107.85 2dn8 n GLY 63 Ca 0.02 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.22 1.79 -0.07 1.61 0.52 -0.89 -2.44 118.95 118.24 2dn8 s ARG 64 Ca 0.00 -0.43 -0.20 0.00 -0.52 0.00 0.00 55.73 54.58 2dn8 s ARG 64 Cb 0.00 -1.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.92 2dn8 s ARG 64 CO 0.00 -0.00 0.56 0.08 0.02 0.00 0.00 175.30 175.96 2dn8 s VAL 65 N 0.78 5.08 0.01 3.52 1.01 0.67 -1.77 120.40 129.69 2dn8 s VAL 65 Ca -0.12 1.16 0.05 0.00 0.00 0.00 0.00 61.98 63.07 2dn8 s VAL 65 Cb -0.15 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 2dn8 s VAL 65 CO 0.02 0.34 -0.17 -0.75 0.00 0.00 0.00 175.10 174.54 2dn8 s LYS 66 N 0.42 1.27 -0.18 2.72 2.36 -0.91 -3.12 119.74 122.29 2dn8 s LYS 66 Ca 0.30 -0.67 -0.26 0.00 -2.55 0.00 0.00 55.97 52.79 2dn8 s LYS 66 Cb -0.17 -1.26 -0.01 0.00 -1.05 0.00 0.00 37.83 35.35 2dn8 s LYS 66 CO 0.14 0.34 0.86 -0.47 1.55 0.00 0.00 175.35 177.77 2dn8 s TYR 67 N -0.53 3.40 -0.21 4.03 5.04 -1.26 -2.45 117.35 125.36 2dn8 s TYR 67 Ca 0.06 1.28 -0.12 0.00 -2.44 0.00 0.00 57.07 55.85 2dn8 s TYR 67 Cb -0.07 -3.05 -0.09 0.00 0.35 0.00 0.00 41.96 39.10 2dn8 s TYR 67 CO 0.00 -0.28 -0.29 -0.89 -1.34 0.00 0.00 175.55 172.75 2dn8 n ILE 68 N 4.85 1.26 -3.68 3.14 2.08 -1.19 -4.96 119.36 120.86 2dn8 n ILE 68 Ca 0.05 -0.25 -0.36 0.00 0.56 0.00 0.00 62.75 62.75 2dn8 n ILE 68 Cb 0.48 -1.86 -0.06 0.00 -0.75 0.00 0.00 39.64 37.46 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 -2.45 3.68 0.84 0.38 -0.14 -1.14 -5.05 119.74 115.85 2dn8 s LYS 69 Ca -0.30 0.09 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 2dn8 s LYS 69 Cb 0.11 -3.12 0.10 0.00 -1.68 0.00 0.00 37.83 33.24 2dn8 s LYS 69 CO 0.39 0.67 1.17 1.03 -0.76 0.00 0.00 175.35 177.85 2dn8 s ARG 70 N -1.48 1.48 0.13 1.68 0.52 -1.26 -4.94 118.95 115.07 2dn8 s ARG 70 Ca 0.25 1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 56.79 2dn8 s ARG 70 Cb -0.14 -1.77 -0.07 0.00 0.52 0.00 0.00 34.95 33.49 2dn8 s ARG 70 CO 0.14 -2.31 1.14 -1.25 0.02 0.00 0.00 175.30 173.04 2dn8 s PRO 71 N -4.38 4.52 0.00 3.54 0.04 -1.26 -3.48 135.00 133.99 2dn8 s PRO 71 Ca 0.70 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2dn8 s PRO 71 Cb -0.25 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2dn8 s PRO 71 CO 0.53 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2dn8 n GLY 72 N 2.52 1.37 3.98 0.56 0.00 -1.18 -4.97 105.19 107.46 2dn8 n GLY 72 Ca 0.05 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 3.58 -0.37 4.61 0.00 -1.23 -4.89 121.76 121.47 2dn8 s ALA 73 Ca 0.00 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.21 2dn8 s ALA 73 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2dn8 s ALA 73 CO 0.00 -1.42 0.50 0.54 0.00 0.00 0.00 175.76 175.37 2dn8 s VAL 74 N -3.15 5.03 -0.17 0.00 0.11 -1.26 -2.54 120.40 118.42 2dn8 s VAL 74 Ca 0.65 0.19 -0.26 0.00 -2.93 0.00 0.00 61.98 59.63 2dn8 s VAL 74 Cb -0.06 -3.98 -0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2dn8 s VAL 74 CO 0.44 -0.26 0.87 -0.76 -3.33 0.00 0.00 175.10 172.06 2dn8 s LEU 75 N 2.35 4.17 0.19 2.54 2.01 -0.91 -4.92 118.68 124.11 2dn8 s LEU 75 Ca 0.17 1.23 0.08 0.00 0.01 0.00 0.00 54.13 55.62 2dn8 s LEU 75 Cb -0.16 -3.30 -0.05 0.00 0.01 0.00 0.00 46.19 42.70 2dn8 s LEU 75 CO 0.14 -0.43 -0.15 -1.61 1.01 0.00 0.00 176.35 175.31 2dn8 s GLU 76 N 2.25 1.29 0.31 1.70 2.02 -1.26 0.12 118.70 125.12 2dn8 s GLU 76 Ca 0.40 -1.53 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 2dn8 s GLU 76 Cb -0.17 -1.11 -0.11 0.00 0.10 0.00 0.00 34.13 32.84 2dn8 s GLU 76 CO 0.12 0.19 1.54 0.00 0.02 0.00 0.00 175.26 177.13 2dn8 s ALA 77 N -2.80 3.68 -1.17 5.21 0.00 -1.26 -2.80 121.76 122.62 2dn8 s ALA 77 Ca 0.20 1.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 2dn8 s ALA 77 Cb -0.02 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 2dn8 s ALA 77 CO 0.06 -0.96 0.81 0.41 0.00 0.00 0.00 175.76 176.08 2dn8 n GLY 78 N 1.72 -0.78 3.55 0.00 0.00 0.67 -4.96 105.19 105.39 2dn8 n GLY 78 Ca 0.06 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.07 5.23 0.07 0.00 0.11 -1.26 0.07 120.40 121.54 2dn8 s VAL 80 Ca 0.29 0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 60.12 2dn8 s VAL 80 Cb 0.07 -3.74 -0.00 0.00 -1.53 0.00 0.00 36.38 31.18 2dn8 s VAL 80 CO 0.14 0.37 -0.01 0.52 -3.33 0.00 0.00 175.10 172.79 2dn8 n VAL 81 N 3.51 1.03 -3.90 2.04 0.31 -0.80 -4.76 118.33 115.75 2dn8 n VAL 81 Ca -0.09 0.33 -0.11 0.00 -0.01 0.00 0.00 64.34 64.45 2dn8 n VAL 81 Cb 0.52 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.84 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 -3.44 -0.51 -2.62 3.52 0.00 -0.90 -2.90 120.51 113.66 2dn8 n ALA 82 Ca -0.01 -1.27 -0.21 0.00 0.00 0.00 0.00 53.44 51.96 2dn8 n ALA 82 Cb 0.11 1.02 -0.13 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 -2.54 0.99 -0.04 0.00 1.81 -1.03 0.65 118.95 118.79 2dn8 s ARG 83 Ca 0.22 -0.92 -0.02 0.00 -1.72 0.00 0.00 55.73 53.29 2dn8 s ARG 83 Cb -0.01 -1.06 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 2dn8 s ARG 83 CO 0.16 0.25 0.08 -1.17 -0.68 0.00 0.00 175.30 173.94 2dn8 s LEU 84 N -1.47 3.94 -0.39 2.53 1.98 -0.72 -2.15 118.68 122.39 2dn8 s LEU 84 Ca 0.02 0.21 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 2dn8 s LEU 84 Cb -0.09 -2.15 0.12 0.00 0.66 0.00 0.00 46.19 44.73 2dn8 s LEU 84 CO 0.02 0.32 0.15 -1.61 -1.89 0.00 0.00 176.35 173.35 2dn8 s GLU 85 N -1.42 1.30 -0.31 1.98 2.02 -0.73 -4.70 118.70 116.84 2dn8 s GLU 85 Ca 0.19 -1.82 -0.38 0.00 0.02 0.00 0.00 54.97 52.99 2dn8 s GLU 85 Cb -0.12 -2.64 -0.14 0.00 0.10 0.00 0.00 34.13 31.33 2dn8 s GLU 85 CO 0.10 -1.04 1.99 1.28 0.02 0.00 0.00 175.26 177.60 2dn8 n LEU 86 N 4.02 2.23 -1.57 1.80 4.77 -1.26 -2.09 117.00 124.90 2dn8 n LEU 86 Ca 0.04 0.74 0.04 0.00 -0.03 0.00 0.00 56.01 56.80 2dn8 n LEU 86 Cb 0.38 -1.19 0.29 0.00 -2.33 0.00 0.00 43.42 40.57 2dn8 n LEU 86 CO 0.22 -0.55 0.74 -0.90 -1.33 0.00 0.00 177.39 175.56 2dn8 n ASP 87 N 7.63 4.49 -2.71 -1.43 5.68 -1.26 -4.30 116.55 124.64 2dn8 n ASP 87 Ca 0.35 -2.73 -0.07 0.00 -0.50 0.00 0.00 54.79 51.84 2dn8 n ASP 87 Cb 0.17 -0.65 0.08 0.00 -1.14 0.00 0.00 41.12 39.58 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 0.39 -2.16 0.23 -1.12 2.03 -1.26 -4.98 116.55 109.68 2dn8 n ASP 88 Ca 0.22 -2.90 0.13 0.00 0.52 0.00 0.00 54.79 52.76 2dn8 n ASP 88 Cb 0.99 1.54 0.39 0.00 -0.72 0.00 0.00 41.12 43.32 2dn8 n ASP 88 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dn8 h PRO 89 N 3.24 0.00 0.26 -0.67 0.13 -1.99 -3.26 132.00 129.70 2dn8 h PRO 89 Ca -0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 2dn8 h PRO 89 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2dn8 h PRO 89 CO 0.12 0.09 -0.12 0.77 -0.23 0.00 0.00 178.00 178.62 2dn8 h SER 90 N 0.00 -0.29 -5.52 1.44 0.02 -1.96 -3.49 113.55 103.75 2dn8 h SER 90 Ca -0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2dn8 h SER 90 Cb 0.82 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 2dn8 h SER 90 CO 0.01 0.21 -1.01 1.17 -1.14 0.00 0.00 176.83 176.07 2dn8 n LYS 91 N -5.01 -2.58 -4.77 3.45 0.00 -1.23 -5.02 118.16 103.00 2dn8 n LYS 91 Ca -0.07 2.21 -0.29 0.00 0.00 0.00 0.00 58.31 60.16 2dn8 n LYS 91 Cb 0.24 -3.98 -0.14 0.00 0.00 0.00 0.00 35.03 31.16 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dn8 s VAL 92 N -1.35 2.01 0.04 3.15 0.11 -1.26 -5.14 120.40 117.95 2dn8 s VAL 92 Ca -0.02 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.66 2dn8 s VAL 92 Cb 0.00 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.09 2dn8 s VAL 92 CO 0.54 0.28 -0.04 -1.38 -3.33 0.00 0.00 175.10 171.17 2dn8 s HIS 93 N -0.84 0.49 -0.07 1.54 -3.43 -1.26 -5.07 115.29 106.65 2dn8 s HIS 93 Ca 0.11 -0.71 -0.27 0.00 -0.80 0.00 0.00 55.06 53.39 2dn8 s HIS 93 Cb -0.10 -0.32 -0.23 0.00 -1.43 0.00 0.00 32.58 30.50 2dn8 s HIS 93 CO 0.02 -0.21 1.03 -1.00 -2.00 0.00 0.00 174.74 172.58 2dn8 h PRO 94 N 4.04 0.05 -5.21 -0.38 0.13 -2.08 -3.49 132.00 125.06 2dn8 h PRO 94 Ca -0.34 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2dn8 h PRO 94 Cb 1.19 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2dn8 h PRO 94 CO 0.50 0.78 -1.34 0.45 -0.23 0.00 0.00 178.00 178.17 2dn8 n SER 95 N -4.68 -1.85 -4.90 1.44 2.88 -1.26 -4.99 113.62 100.27 2dn8 n SER 95 Ca -0.09 1.29 -0.28 0.00 -1.33 0.00 0.00 58.87 58.46 2dn8 n SER 95 Cb 0.40 -4.67 -0.01 0.00 -0.75 0.00 0.00 64.21 59.17 2dn8 n SER 95 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dn8 s GLY 96 N -0.61 1.64 -0.08 0.46 0.00 -1.26 -5.02 107.32 102.44 2dn8 s GLY 96 Ca -0.23 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 43.75 2dn8 s GLY 96 CO 0.67 -0.30 1.02 -0.56 0.00 0.00 0.00 173.10 173.92 2dn8 h PRO 97 N 0.68 0.02 -7.03 2.90 0.13 -2.07 -3.45 132.00 123.18 2dn8 h PRO 97 Ca -0.47 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 2dn8 h PRO 97 Cb 1.20 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.49 2dn8 h PRO 97 CO 0.63 0.77 0.41 -1.13 -0.23 0.00 0.00 178.00 178.44 2dn8 n SER 98 N -4.71 1.74 -0.01 1.44 3.41 -1.26 -4.96 113.62 109.27 2dn8 n SER 98 Ca -0.09 0.83 -0.04 0.00 -0.26 0.00 0.00 58.87 59.30 2dn8 n SER 98 Cb 0.38 -1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 62.80 2dn8 n SER 98 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dn8 n SER 99 N -1.54 1.22 0.00 4.04 2.88 -1.26 -5.18 113.62 113.77 2dn8 n SER 99 Ca 0.15 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2dn8 n SER 99 Cb 0.48 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42