#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 n SER 2 N 0.00 -2.62 -3.65 1.61 2.88 -1.26 -5.16 113.62 105.42 2dn8 n SER 2 Ca 0.00 0.73 -0.02 0.00 -1.33 0.00 0.00 58.87 58.25 2dn8 n SER 2 Cb 0.00 2.53 -0.04 0.00 -0.75 0.00 0.00 64.21 65.95 2dn8 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dn8 s SER 3 N -3.15 -0.02 0.00 -3.46 0.15 -1.26 -5.13 113.70 100.83 2dn8 s SER 3 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dn8 s SER 3 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2dn8 s SER 3 CO 0.00 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2dn8 n GLY 4 N 0.57 -2.06 2.73 9.45 0.00 -1.26 -5.06 105.19 109.56 2dn8 n GLY 4 Ca -0.00 0.75 -0.28 0.00 0.00 0.00 0.00 46.02 46.48 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn8 s SER 5 N 2.00 3.64 -0.12 1.61 0.01 -1.26 -5.08 113.70 114.50 2dn8 s SER 5 Ca 0.00 -3.31 -0.01 0.00 1.31 0.00 0.00 55.95 53.94 2dn8 s SER 5 Cb 0.00 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.02 2dn8 s SER 5 CO 0.00 -0.16 -0.07 -0.44 0.41 0.00 0.00 173.24 172.98 2dn8 s SER 6 N -0.57 4.54 -0.71 2.44 0.01 -1.26 -5.06 113.70 113.10 2dn8 s SER 6 Ca 0.25 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.42 2dn8 s SER 6 Cb -0.08 -1.50 0.19 0.00 0.21 0.00 0.00 66.02 64.84 2dn8 s SER 6 CO -0.12 0.24 0.56 0.61 0.41 0.00 0.00 173.24 174.94 2dn8 n GLY 7 N 3.02 4.18 3.78 3.44 0.00 -1.26 -5.08 105.19 113.28 2dn8 n GLY 7 Ca -0.18 -2.63 -0.39 0.00 0.00 0.00 0.00 46.02 42.82 2dn8 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dn8 s THR 8 N -1.67 4.31 0.13 2.61 -4.23 -1.26 -5.00 115.64 110.54 2dn8 s THR 8 Ca 0.28 1.74 -0.31 0.00 -1.18 0.00 0.00 61.69 62.21 2dn8 s THR 8 Cb -0.01 -4.12 -0.09 0.00 1.34 0.00 0.00 72.50 69.62 2dn8 s THR 8 CO -0.14 0.42 1.58 0.00 -0.54 0.00 0.00 174.62 175.94 2dn8 s VAL 10 N 1.57 1.95 -0.29 0.00 1.01 -1.26 -5.14 120.40 118.24 2dn8 s VAL 10 Ca 0.71 -1.68 -0.25 0.00 0.00 0.00 0.00 61.98 60.76 2dn8 s VAL 10 Cb -0.42 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.35 2dn8 s VAL 10 CO 0.31 -0.03 1.23 0.72 0.00 0.00 0.00 175.10 177.33 2dn8 s PHE 11 N -1.23 -0.27 -0.02 5.22 -0.12 -1.26 -5.18 117.98 115.11 2dn8 s PHE 11 Ca 0.11 0.66 -0.30 0.00 -0.05 0.00 0.00 56.93 57.35 2dn8 s PHE 11 Cb -0.10 0.42 0.11 0.00 -0.63 0.00 0.00 43.02 42.82 2dn8 s PHE 11 CO 0.05 -0.13 0.99 -2.00 -0.05 0.00 0.00 175.22 174.08 2dn8 s GLU 12 N 0.12 0.73 -1.13 1.99 2.12 -1.26 -5.03 118.70 116.24 2dn8 s GLU 12 Ca 0.05 -0.30 -0.07 0.00 0.36 0.00 0.00 54.97 55.00 2dn8 s GLU 12 Cb -0.05 0.32 -0.09 0.00 0.26 0.00 0.00 34.13 34.57 2dn8 s GLU 12 CO -0.11 -0.33 2.58 1.17 -0.54 0.00 0.00 175.26 178.03 2dn8 n LYS 13 N -0.26 2.75 -4.01 4.30 3.00 -1.26 -4.78 118.16 117.90 2dn8 n LYS 13 Ca -0.06 -1.71 -0.08 0.00 -0.00 0.00 0.00 58.31 56.45 2dn8 n LYS 13 Cb 0.61 -2.54 -0.09 0.00 0.00 0.00 0.00 35.03 33.01 2dn8 n LYS 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dn8 s GLU 14 N 2.65 0.75 0.34 1.64 2.02 -1.26 -5.18 118.70 119.66 2dn8 s GLU 14 Ca 0.54 -1.15 0.06 0.00 0.02 0.00 0.00 54.97 54.44 2dn8 s GLU 14 Cb 0.15 0.27 -0.07 0.00 0.10 0.00 0.00 34.13 34.58 2dn8 s GLU 14 CO -0.04 -0.19 -0.01 -0.80 0.02 0.00 0.00 175.26 174.24 2dn8 s ASN 15 N -2.92 3.05 -0.21 -0.19 -0.87 -1.26 -5.13 114.94 107.40 2dn8 s ASN 15 Ca 0.09 -1.30 -0.03 0.00 -1.57 0.00 0.00 52.86 50.04 2dn8 s ASN 15 Cb 0.07 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.25 41.07 2dn8 s ASN 15 CO -0.09 -0.44 -0.06 -0.62 -2.57 0.00 0.00 177.10 173.32 2dn8 s ASP 16 N -3.55 4.21 -0.53 -1.22 2.15 -1.26 -5.00 116.67 111.47 2dn8 s ASP 16 Ca 0.34 -0.40 -0.06 0.00 0.43 0.00 0.00 52.55 52.85 2dn8 s ASP 16 Cb 0.07 -1.72 -0.14 0.00 -0.30 0.00 0.00 42.92 40.83 2dn8 s ASP 16 CO 0.15 -0.01 2.69 -0.81 -0.17 0.00 0.00 175.17 177.02 2dn8 n PRO 17 N 4.72 2.06 -0.03 4.34 -0.04 -1.26 -3.77 135.00 141.01 2dn8 n PRO 17 Ca -0.18 -1.20 -0.07 0.00 -0.04 0.00 0.00 63.50 62.01 2dn8 n PRO 17 Cb 0.51 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.19 0.71 -2.77 0.52 -2.24 -1.26 -4.62 114.28 107.81 2dn8 n THR 18 Ca 0.44 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.80 2dn8 n THR 18 Cb 0.47 -1.67 -0.04 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 -2.19 4.39 -1.01 2.28 0.11 -1.25 0.17 120.40 122.91 2dn8 s VAL 19 Ca -0.11 0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 59.53 2dn8 s VAL 19 Cb 0.04 -4.49 -0.01 0.00 -1.53 0.00 0.00 36.38 30.39 2dn8 s VAL 19 CO 0.14 -0.91 1.75 -0.76 -3.33 0.00 0.00 175.10 171.99 2dn8 s LEU 20 N 3.96 3.33 0.46 2.54 1.43 0.80 -4.95 118.68 126.24 2dn8 s LEU 20 Ca 0.39 -1.21 -0.21 0.00 -1.03 0.00 0.00 54.13 52.07 2dn8 s LEU 20 Cb -0.09 -2.57 -0.09 0.00 0.03 0.00 0.00 46.19 43.46 2dn8 s LEU 20 CO 0.27 -2.21 1.00 -0.13 0.23 0.00 0.00 176.35 175.52 2dn8 s ARG 21 N 5.99 3.99 -0.21 1.70 0.52 -1.26 -3.09 118.95 126.59 2dn8 s ARG 21 Ca 0.60 1.28 -0.29 0.00 -0.52 0.00 0.00 55.73 56.79 2dn8 s ARG 21 Cb -0.03 -2.15 -0.02 0.00 0.52 0.00 0.00 34.95 33.27 2dn8 s ARG 21 CO -0.02 -0.26 1.49 0.45 0.02 0.00 0.00 175.30 176.99 2dn8 s SER 22 N -2.03 6.56 0.32 0.23 0.15 0.11 -4.86 113.70 114.18 2dn8 s SER 22 Ca 0.65 1.59 0.26 0.00 0.70 0.00 0.00 55.95 59.15 2dn8 s SER 22 Cb -0.14 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.53 2dn8 s SER 22 CO 0.18 -1.11 1.77 1.55 1.20 0.00 0.00 173.24 176.82 2dn8 h PRO 23 N 9.88 0.00 -2.10 5.44 0.13 -1.90 -0.82 132.00 142.64 2dn8 h PRO 23 Ca -0.31 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2dn8 h PRO 23 Cb 1.13 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.08 2dn8 h PRO 23 CO 1.00 0.00 0.33 -1.12 -0.23 0.00 0.00 178.00 177.98 2dn8 s SER 24 N -4.92 -0.52 1.39 1.44 0.01 -1.26 -4.77 113.70 105.07 2dn8 s SER 24 Ca 0.06 0.41 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 2dn8 s SER 24 Cb 0.10 0.46 0.34 0.00 0.21 0.00 0.00 66.02 67.13 2dn8 s SER 24 CO 0.53 -0.60 0.89 0.00 0.41 0.00 0.00 173.24 174.47 2dn8 n ALA 25 N 0.47 -4.44 0.00 1.44 0.00 -1.26 -4.45 120.51 112.27 2dn8 n ALA 25 Ca -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.81 2dn8 n ALA 25 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -5.14 -0.23 3.33 0.00 0.00 0.95 -4.58 105.19 99.51 2dn8 n GLY 26 Ca 0.13 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.71 0.44 0.88 1.61 1.02 0.28 -2.51 119.74 120.74 2dn8 s LYS 27 Ca 0.00 0.93 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 2dn8 s LYS 27 Cb 0.00 0.54 0.13 0.00 -0.52 0.00 0.00 37.83 37.98 2dn8 s LYS 27 CO 0.00 -0.32 1.16 -1.17 -0.92 0.00 0.00 175.35 174.09 2dn8 s LEU 28 N 2.80 2.92 0.23 3.17 2.96 -1.04 -1.06 118.68 128.65 2dn8 s LEU 28 Ca 0.05 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 2dn8 s LEU 28 Cb -0.11 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.01 2dn8 s LEU 28 CO -0.18 -2.97 0.00 0.35 -1.32 0.00 0.00 176.35 172.24 2dn8 n THR 29 N -4.00 0.04 -3.71 3.68 -2.24 -1.26 -3.57 114.28 103.22 2dn8 n THR 29 Ca 0.12 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 2dn8 n THR 29 Cb 0.52 -0.43 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 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 -3.28 0.47 -4.30 -0.78 10.64 -1.26 -4.25 117.38 114.61 2dn8 n GLN 30 Ca 0.00 -1.03 -0.29 0.00 -1.83 0.00 0.00 57.00 53.84 2dn8 n GLN 30 Cb 0.00 1.38 -0.04 0.00 -0.86 0.00 0.00 30.24 30.72 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 -3.59 1.77 0.00 2.61 -0.85 -1.26 -3.13 117.35 112.90 2dn8 s TYR 31 Ca 0.14 -0.89 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 2dn8 s TYR 31 Cb -0.02 -1.77 0.00 0.00 0.38 0.00 0.00 41.96 40.55 2dn8 s TYR 31 CO 0.04 -0.12 0.74 0.25 -1.52 0.00 0.00 175.55 174.94 2dn8 n THR 32 N -1.51 0.55 -4.30 -3.49 -2.24 -0.24 -4.90 114.28 98.14 2dn8 n THR 32 Ca -0.10 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.84 2dn8 n THR 32 Cb 0.66 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.55 1.59 0.84 2.28 -7.23 -1.25 -4.99 120.40 111.09 2dn8 s VAL 33 Ca 0.00 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2dn8 s VAL 33 Cb 0.00 -1.78 0.18 0.00 0.56 0.00 0.00 36.38 35.34 2dn8 s VAL 33 CO 0.00 -0.44 1.14 -0.62 -0.31 0.00 0.00 175.10 174.87 2dn8 n GLU 34 N 0.19 -0.57 -1.57 4.82 1.02 -1.26 -4.85 120.64 118.42 2dn8 n GLU 34 Ca -0.13 -2.53 -0.52 0.00 -0.02 0.00 0.00 57.16 53.96 2dn8 n GLU 34 Cb 0.58 -0.94 -0.06 0.00 -0.02 0.00 0.00 31.44 31.00 2dn8 n GLU 34 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dn8 n ASP 35 N -3.26 1.28 -4.01 1.62 8.00 -1.26 0.23 116.55 119.15 2dn8 n ASP 35 Ca 0.17 1.13 -0.32 0.00 0.71 0.00 0.00 54.79 56.48 2dn8 n ASP 35 Cb 0.60 -1.16 0.01 0.00 -0.02 0.00 0.00 41.12 40.55 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dn8 n GLY 36 N 2.24 -0.48 3.74 0.44 0.00 -1.25 -4.88 105.19 105.00 2dn8 n GLY 36 Ca 0.18 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.30 2.28 -0.14 -0.02 0.00 0.14 -4.75 107.32 101.52 2dn8 s GLY 37 Ca 0.69 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 46.65 2dn8 s GLY 37 CO 0.86 2.27 -0.01 -1.58 0.00 0.00 0.00 173.10 174.64 2dn8 s HIS 38 N 0.15 3.10 0.22 1.90 2.46 -1.26 0.18 115.29 122.04 2dn8 s HIS 38 Ca 0.60 -0.09 0.04 0.00 0.47 0.00 0.00 55.06 56.07 2dn8 s HIS 38 Cb -0.41 -1.93 -0.01 0.00 -0.13 0.00 0.00 32.58 30.10 2dn8 s HIS 38 CO 0.41 0.14 0.14 1.33 -2.47 0.00 0.00 174.74 174.29 2dn8 n VAL 39 N 3.14 0.00 -4.26 0.89 0.24 -1.09 -5.01 118.33 112.24 2dn8 n VAL 39 Ca -0.18 -1.49 -0.26 0.00 -2.04 0.00 0.00 64.34 60.38 2dn8 n VAL 39 Cb 0.53 0.66 -0.08 0.00 -1.47 0.00 0.00 33.84 33.48 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 -2.88 2.24 -0.74 7.34 2.02 -1.26 -3.21 118.70 122.20 2dn8 s GLU 40 Ca 0.20 -1.25 -0.26 0.00 0.02 0.00 0.00 54.97 53.69 2dn8 s GLU 40 Cb 0.01 -2.23 -0.09 0.00 0.10 0.00 0.00 34.13 31.92 2dn8 s GLU 40 CO 0.14 0.43 2.23 0.00 0.02 0.00 0.00 175.26 178.07 2dn8 s ALA 41 N -1.86 1.29 0.00 5.21 0.00 -1.26 -0.94 121.76 124.20 2dn8 s ALA 41 Ca 0.27 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2dn8 s ALA 41 Cb -0.08 -4.50 0.00 0.00 0.00 0.00 0.00 23.12 18.54 2dn8 s ALA 41 CO 0.17 -5.13 0.00 0.41 0.00 0.00 0.00 175.76 171.22 2dn8 n GLY 42 N 6.54 0.96 2.25 0.00 0.00 -1.11 -4.90 105.19 108.93 2dn8 n GLY 42 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.88 -4.25 1.61 7.64 -0.11 -4.81 113.62 112.81 2dn8 n SER 43 Ca 0.00 -1.09 -0.32 0.00 1.01 0.00 0.00 58.87 58.47 2dn8 n SER 43 Cb 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 64.21 62.41 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 -3.63 3.25 -0.01 6.43 1.04 -1.26 -3.16 113.70 116.36 2dn8 s SER 44 Ca 0.45 -0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.46 2dn8 s SER 44 Cb -0.03 -1.42 -0.15 0.00 0.10 0.00 0.00 66.02 64.52 2dn8 s SER 44 CO 0.33 0.16 0.20 0.00 0.98 0.00 0.00 173.24 174.92 2dn8 n TYR 45 N 3.49 0.00 -3.81 5.02 0.18 -0.42 -4.76 117.16 116.86 2dn8 n TYR 45 Ca -0.19 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.51 2dn8 n TYR 45 Cb 0.53 -0.22 0.03 0.00 -0.38 0.00 0.00 39.34 39.30 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 s ALA 46 N -2.65 -0.81 0.33 -3.48 0.00 -1.14 -1.08 121.76 112.93 2dn8 s ALA 46 Ca -0.03 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2dn8 s ALA 46 Cb 0.06 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2dn8 s ALA 46 CO 0.39 -0.99 0.29 -1.21 0.00 0.00 0.00 175.76 174.24 2dn8 s GLU 47 N -2.15 1.75 0.15 0.00 8.01 -1.18 0.11 118.70 125.39 2dn8 s GLU 47 Ca 0.17 -1.99 -0.24 0.00 0.01 0.00 0.00 54.97 52.92 2dn8 s GLU 47 Cb -0.05 0.33 0.07 0.00 -4.31 0.00 0.00 34.13 30.17 2dn8 s GLU 47 CO 0.11 -0.65 0.70 0.00 0.01 0.00 0.00 175.26 175.43 2dn8 s MET 48 N -3.44 1.29 -0.18 1.61 0.23 0.24 -4.18 119.30 114.88 2dn8 s MET 48 Ca 0.40 -0.56 0.01 0.00 -1.03 0.00 0.00 55.69 54.51 2dn8 s MET 48 Cb 0.02 0.54 0.02 0.00 -1.53 0.00 0.00 34.83 33.89 2dn8 s MET 48 CO 0.27 -0.57 -0.18 -2.00 -2.03 0.00 0.00 175.02 170.50 2dn8 s GLU 49 N -3.64 2.77 -0.01 3.16 2.12 -0.22 0.15 118.70 123.02 2dn8 s GLU 49 Ca 0.04 -0.83 0.02 0.00 0.36 0.00 0.00 54.97 54.56 2dn8 s GLU 49 Cb -0.02 -2.51 -0.00 0.00 0.26 0.00 0.00 34.13 31.86 2dn8 s GLU 49 CO -0.07 -0.25 -0.06 0.54 -0.54 0.00 0.00 175.26 174.88 2dn8 s VAL 50 N 1.31 0.49 -1.56 3.70 0.11 0.49 0.99 120.40 125.93 2dn8 s VAL 50 Ca 0.04 -0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 2dn8 s VAL 50 Cb -0.14 -0.43 0.09 0.00 -1.53 0.00 0.00 36.38 34.38 2dn8 s VAL 50 CO -0.12 0.15 0.75 0.23 -3.33 0.00 0.00 175.10 172.78 2dn8 n MET 51 N 3.11 -3.97 -1.72 1.54 2.81 -1.26 0.17 117.12 117.79 2dn8 n MET 51 Ca -0.15 0.46 -0.19 0.00 -1.81 0.00 0.00 57.70 56.01 2dn8 n MET 51 Cb 0.57 -5.07 -0.06 0.00 -0.71 0.00 0.00 33.22 27.94 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 -4.47 -1.34 -5.00 0.03 5.02 -1.26 -4.96 118.16 106.18 2dn8 n LYS 52 Ca -0.05 1.10 -0.28 0.00 -2.02 0.00 0.00 58.31 57.06 2dn8 n LYS 52 Cb 0.56 -5.45 -0.16 0.00 -0.02 0.00 0.00 35.03 29.96 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 -3.88 2.10 -0.31 1.97 -1.94 0.46 -5.11 119.30 112.59 2dn8 s MET 53 Ca 0.00 -0.72 -0.19 0.00 -1.71 0.00 0.00 55.69 53.06 2dn8 s MET 53 Cb 0.00 -1.79 -0.01 0.00 2.01 0.00 0.00 34.83 35.03 2dn8 s MET 53 CO 0.00 0.29 0.57 0.42 -0.01 0.00 0.00 175.02 176.30 2dn8 s ILE 54 N -0.03 4.99 -0.04 2.53 -1.09 -1.26 0.18 121.20 126.48 2dn8 s ILE 54 Ca -0.04 0.74 0.04 0.00 -2.23 0.00 0.00 60.65 59.16 2dn8 s ILE 54 Cb -0.13 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2dn8 s ILE 54 CO 0.03 -0.10 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.16 2dn8 s MET 55 N 2.49 2.45 0.19 2.79 -2.45 0.39 -4.94 119.30 120.22 2dn8 s MET 55 Ca 0.23 -0.73 -0.18 0.00 -1.25 0.00 0.00 55.69 53.76 2dn8 s MET 55 Cb -0.15 -2.35 -0.08 0.00 1.25 0.00 0.00 34.83 33.50 2dn8 s MET 55 CO 0.12 0.61 0.66 0.99 1.05 0.00 0.00 175.02 178.45 2dn8 s THR 56 N -0.74 4.67 -0.31 10.11 2.01 -1.26 0.81 115.64 130.92 2dn8 s THR 56 Ca 0.12 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 63.16 2dn8 s THR 56 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2dn8 s THR 56 CO 0.01 0.23 0.13 -0.76 -0.69 0.00 0.00 174.62 173.54 2dn8 s LEU 57 N -1.95 4.09 0.31 4.42 1.43 0.29 -4.90 118.68 122.37 2dn8 s LEU 57 Ca 0.41 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2dn8 s LEU 57 Cb -0.16 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 2dn8 s LEU 57 CO 0.20 -0.22 0.37 0.20 0.23 0.00 0.00 176.35 177.13 2dn8 s ASN 58 N 1.56 5.79 -0.12 2.29 -0.87 -1.26 -1.30 114.94 121.04 2dn8 s ASN 58 Ca 0.03 -0.24 -0.17 0.00 -1.57 0.00 0.00 52.86 50.92 2dn8 s ASN 58 Cb -0.17 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.25 39.72 2dn8 s ASN 58 CO 0.05 -0.30 0.44 0.68 -2.57 0.00 0.00 177.10 175.40 2dn8 s VAL 59 N -2.17 5.20 0.33 1.60 -7.23 -1.19 -4.90 120.40 112.03 2dn8 s VAL 59 Ca 0.40 0.87 0.06 0.00 -1.81 0.00 0.00 61.98 61.51 2dn8 s VAL 59 Cb -0.08 -3.78 0.10 0.00 0.56 0.00 0.00 36.38 33.19 2dn8 s VAL 59 CO 0.29 0.36 1.80 -0.61 -0.31 0.00 0.00 175.10 176.63 2dn8 h GLN 60 N 6.56 0.33 -2.93 4.82 4.15 -1.92 -2.94 115.11 123.18 2dn8 h GLN 60 Ca -0.42 -0.11 -0.19 0.00 0.77 0.00 0.00 58.65 58.71 2dn8 h GLN 60 Cb 1.18 -0.03 -0.30 0.00 0.21 0.00 0.00 27.48 28.54 2dn8 h GLN 60 CO 0.75 0.54 -0.47 -1.21 -1.93 0.00 0.00 178.83 176.50 2dn8 s GLU 61 N -4.54 0.21 0.54 1.69 0.41 -1.26 -4.82 118.70 110.93 2dn8 s GLU 61 Ca -0.06 0.63 -0.14 0.00 -0.41 0.00 0.00 54.97 54.99 2dn8 s GLU 61 Cb 0.14 -0.08 -0.12 0.00 -1.78 0.00 0.00 34.13 32.29 2dn8 s GLU 61 CO 0.76 -0.20 -0.28 2.89 -0.49 0.00 0.00 175.26 177.94 2dn8 n ARG 62 N 4.56 0.00 0.00 1.61 1.85 -1.26 -4.74 116.66 118.68 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 0.52 -0.82 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 -0.51 3.15 2.89 0.00 -1.20 -4.64 105.19 107.20 2dn8 n GLY 63 Ca 0.04 -0.61 -0.32 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 -1.89 2.92 0.13 1.61 0.52 -0.55 -2.65 118.95 119.04 2dn8 s ARG 64 Ca 0.00 -0.82 -0.23 0.00 -0.52 0.00 0.00 55.73 54.16 2dn8 s ARG 64 Cb 0.00 -2.38 -0.07 0.00 0.52 0.00 0.00 34.95 33.01 2dn8 s ARG 64 CO 0.00 -0.04 0.69 0.08 0.02 0.00 0.00 175.30 176.06 2dn8 s VAL 65 N 0.87 4.51 -0.01 3.52 1.01 0.13 -1.09 120.40 129.34 2dn8 s VAL 65 Ca -0.06 1.51 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 2dn8 s VAL 65 Cb -0.15 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2dn8 s VAL 65 CO -0.03 0.54 0.05 -0.75 0.00 0.00 0.00 175.10 174.91 2dn8 s LYS 66 N -1.12 0.19 -0.20 2.72 2.36 -1.20 -3.31 119.74 119.17 2dn8 s LYS 66 Ca 0.33 -0.14 -0.26 0.00 -2.55 0.00 0.00 55.97 53.35 2dn8 s LYS 66 Cb -0.22 0.08 -0.01 0.00 -1.05 0.00 0.00 37.83 36.63 2dn8 s LYS 66 CO 0.23 -0.03 0.90 -0.47 1.55 0.00 0.00 175.35 177.53 2dn8 s TYR 67 N -0.51 3.38 -0.14 4.03 5.04 -1.26 -3.49 117.35 124.40 2dn8 s TYR 67 Ca -0.06 1.32 -0.15 0.00 -2.44 0.00 0.00 57.07 55.74 2dn8 s TYR 67 Cb -0.04 -3.11 -0.05 0.00 0.35 0.00 0.00 41.96 39.12 2dn8 s TYR 67 CO 0.00 -0.34 -0.29 -0.89 -1.34 0.00 0.00 175.55 172.69 2dn8 n ILE 68 N 4.99 1.31 -3.23 3.14 2.08 -1.19 -4.95 119.36 121.51 2dn8 n ILE 68 Ca 0.07 0.19 -0.38 0.00 0.56 0.00 0.00 62.75 63.19 2dn8 n ILE 68 Cb 0.48 -2.21 -0.06 0.00 -0.75 0.00 0.00 39.64 37.10 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 -2.64 4.36 0.90 0.38 -0.14 -1.17 -5.04 119.74 116.39 2dn8 s LYS 69 Ca -0.24 0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 54.81 2dn8 s LYS 69 Cb 0.03 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 2dn8 s LYS 69 CO 0.36 0.15 0.06 0.54 -0.76 0.00 0.00 175.35 175.70 2dn8 n ARG 70 N 3.61 -0.09 -2.44 1.68 1.74 -1.26 -4.86 116.66 115.04 2dn8 n ARG 70 Ca -0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.61 2dn8 n ARG 70 Cb 0.51 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 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 -2.90 4.37 0.00 5.56 0.04 -1.26 -3.64 135.00 137.17 2dn8 s PRO 71 Ca 0.54 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2dn8 s PRO 71 Cb -0.24 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2dn8 s PRO 71 CO 0.70 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.74 2dn8 n GLY 72 N 3.34 1.46 4.01 0.56 0.00 -1.23 -4.95 105.19 108.38 2dn8 n GLY 72 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 4.31 -0.55 4.61 0.00 -1.24 -4.92 121.76 121.98 2dn8 s ALA 73 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 2dn8 s ALA 73 Cb 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 23.12 21.46 2dn8 s ALA 73 CO 0.00 -0.72 0.62 0.54 0.00 0.00 0.00 175.76 176.21 2dn8 s VAL 74 N -2.65 4.92 0.07 0.00 0.11 -1.26 -2.49 120.40 119.10 2dn8 s VAL 74 Ca 0.59 -0.88 -0.31 0.00 -2.93 0.00 0.00 61.98 58.45 2dn8 s VAL 74 Cb -0.08 -4.37 -0.07 0.00 -1.53 0.00 0.00 36.38 30.33 2dn8 s VAL 74 CO 0.38 -0.93 1.39 -0.76 -3.33 0.00 0.00 175.10 171.84 2dn8 s LEU 75 N 2.45 4.35 0.10 2.54 2.01 -1.05 -4.92 118.68 124.17 2dn8 s LEU 75 Ca 0.11 2.23 0.06 0.00 0.01 0.00 0.00 54.13 56.54 2dn8 s LEU 75 Cb -0.23 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.36 2dn8 s LEU 75 CO 0.08 -0.67 -0.14 -0.70 1.01 0.00 0.00 176.35 175.93 2dn8 s GLU 76 N 1.62 0.95 0.25 1.70 2.12 -1.26 -0.04 118.70 124.06 2dn8 s GLU 76 Ca 0.64 -1.15 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 2dn8 s GLU 76 Cb -0.34 -0.87 -0.11 0.00 0.26 0.00 0.00 34.13 33.07 2dn8 s GLU 76 CO 0.29 0.17 1.58 0.00 -0.54 0.00 0.00 175.26 176.76 2dn8 s ALA 77 N -1.88 3.76 -1.01 6.30 0.00 -1.26 -3.01 121.76 124.65 2dn8 s ALA 77 Ca 0.05 1.50 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 2dn8 s ALA 77 Cb -0.06 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 2dn8 s ALA 77 CO 0.03 -0.90 0.88 0.41 0.00 0.00 0.00 175.76 176.18 2dn8 n GLY 78 N 2.65 -1.06 3.36 0.00 0.00 -0.31 -4.93 105.19 104.90 2dn8 n GLY 78 Ca 0.10 0.54 -0.20 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.50 5.24 0.10 0.00 0.11 -1.26 0.08 120.40 121.18 2dn8 s VAL 80 Ca 0.34 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 2dn8 s VAL 80 Cb 0.04 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2dn8 s VAL 80 CO 0.19 0.50 0.00 0.52 -3.33 0.00 0.00 175.10 172.98 2dn8 n VAL 81 N 2.65 0.88 -3.76 2.04 0.31 -1.18 -4.80 118.33 114.48 2dn8 n VAL 81 Ca -0.14 0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.39 2dn8 n VAL 81 Cb 0.53 -1.46 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 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 -0.99 0.37 3.52 0.00 -1.21 -3.04 121.76 118.41 2dn8 s ALA 82 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 51.80 2dn8 s ALA 82 Cb 0.00 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2dn8 s ALA 82 CO 0.00 -0.85 0.27 1.03 0.00 0.00 0.00 175.76 176.21 2dn8 s ARG 83 N -3.89 2.54 -0.09 0.00 3.00 -1.23 -0.14 118.95 119.14 2dn8 s ARG 83 Ca 0.10 -1.48 0.03 0.00 0.00 0.00 0.00 55.73 54.38 2dn8 s ARG 83 Cb -0.02 -2.33 0.01 0.00 0.00 0.00 0.00 34.95 32.61 2dn8 s ARG 83 CO -0.01 -0.01 -0.18 -1.17 0.00 0.00 0.00 175.30 173.94 2dn8 s LEU 84 N -3.99 1.86 -0.69 2.53 1.98 0.46 -3.26 118.68 117.57 2dn8 s LEU 84 Ca 0.42 -0.45 -0.14 0.00 -2.89 0.00 0.00 54.13 51.07 2dn8 s LEU 84 Cb -0.03 -1.15 0.18 0.00 0.66 0.00 0.00 46.19 45.85 2dn8 s LEU 84 CO 0.26 0.08 0.63 -1.61 -1.89 0.00 0.00 176.35 173.82 2dn8 s GLU 85 N 0.63 3.29 -0.19 1.98 8.01 -0.25 -4.75 118.70 127.41 2dn8 s GLU 85 Ca -0.14 -2.13 -0.33 0.00 0.01 0.00 0.00 54.97 52.38 2dn8 s GLU 85 Cb -0.16 -4.34 -0.10 0.00 -4.31 0.00 0.00 34.13 25.22 2dn8 s GLU 85 CO 0.04 -1.30 2.06 1.28 0.01 0.00 0.00 175.26 177.35 2dn8 n LEU 86 N 4.52 3.08 0.00 1.80 4.77 -1.26 -1.48 117.00 128.42 2dn8 n LEU 86 Ca 0.01 0.62 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2dn8 n LEU 86 Cb 0.44 -1.39 0.55 0.00 -2.33 0.00 0.00 43.42 40.68 2dn8 n LEU 86 CO 0.42 -0.39 0.89 -0.67 -1.33 0.00 0.00 177.39 176.31 2dn8 n ASP 87 N 8.85 0.00 -3.36 -1.43 2.03 -1.26 -4.23 116.55 117.14 2dn8 n ASP 87 Ca 0.29 0.27 -0.18 0.00 0.52 0.00 0.00 54.79 55.70 2dn8 n ASP 87 Cb 0.32 -0.41 -0.08 0.00 -0.72 0.00 0.00 41.12 40.23 2dn8 n ASP 87 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2dn8 s ASP 88 N -2.83 1.24 0.46 1.67 -4.77 -1.26 -4.98 116.67 106.21 2dn8 s ASP 88 Ca 0.16 -1.64 0.26 0.00 -3.30 0.00 0.00 52.55 48.03 2dn8 s ASP 88 Cb 0.16 0.51 0.77 0.00 -1.09 0.00 0.00 42.92 43.27 2dn8 s ASP 88 CO 0.41 -0.26 1.76 1.55 0.70 0.00 0.00 175.17 179.33 2dn8 h PRO 89 N 7.02 0.00 -3.19 2.11 0.13 -1.99 -3.35 132.00 132.72 2dn8 h PRO 89 Ca 0.06 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.53 2dn8 h PRO 89 Cb 1.05 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.79 2dn8 h PRO 89 CO 0.20 0.10 -0.37 -1.12 -0.23 0.00 0.00 178.00 176.58 2dn8 s SER 90 N -6.06 5.31 0.00 1.44 0.01 -1.26 -5.00 113.70 108.14 2dn8 s SER 90 Ca 0.03 -3.79 0.00 0.00 1.31 0.00 0.00 55.95 53.50 2dn8 s SER 90 Cb 0.08 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.55 2dn8 s SER 90 CO 0.63 -0.13 0.00 1.17 0.41 0.00 0.00 173.24 175.32 2dn8 n LYS 91 N 2.14 2.18 -1.54 12.44 3.00 -1.26 -5.12 118.16 130.00 2dn8 n LYS 91 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 2dn8 n LYS 91 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2dn8 n VAL 92 N 0.00 -4.13 -3.18 3.15 0.31 -1.26 -4.86 118.33 108.35 2dn8 n VAL 92 Ca 0.00 1.93 -0.02 0.00 -0.01 0.00 0.00 64.34 66.23 2dn8 n VAL 92 Cb 0.00 -2.84 0.00 0.00 -0.91 0.00 0.00 33.84 30.09 2dn8 n VAL 92 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2dn8 n HIS 93 N -1.66 -0.39 -2.46 3.52 8.25 -1.26 -4.82 115.22 116.39 2dn8 n HIS 93 Ca 0.00 0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 2dn8 n HIS 93 Cb 0.21 -1.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.08 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dn8 s PRO 94 N -1.13 4.45 0.15 -0.41 0.04 -1.26 -4.95 135.00 131.90 2dn8 s PRO 94 Ca 0.02 1.72 -0.34 0.00 0.04 0.00 0.00 61.00 62.45 2dn8 s PRO 94 Cb -0.00 -3.36 -0.16 0.00 0.04 0.00 0.00 34.50 31.02 2dn8 s PRO 94 CO 0.10 -0.22 1.21 0.45 0.04 0.00 0.00 177.00 178.58 2dn8 n SER 95 N 3.88 1.45 0.00 6.66 2.88 -1.26 -4.86 113.62 122.37 2dn8 n SER 95 Ca 0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 2dn8 n SER 95 Cb 0.47 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2dn8 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn8 n GLY 96 N 2.15 1.71 3.79 0.46 0.00 -1.26 -5.15 105.19 106.89 2dn8 n GLY 96 Ca 0.16 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 2.82 4.05 0.17 1.61 0.04 -1.26 -4.85 135.00 137.57 2dn8 s PRO 97 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dn8 s PRO 97 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2dn8 s PRO 97 CO 0.00 -0.24 0.00 0.45 0.04 0.00 0.00 177.00 177.25 2dn8 n SER 98 N -0.35 -2.32 0.03 6.66 2.88 -1.26 -4.99 113.62 114.27 2dn8 n SER 98 Ca 0.06 0.38 -0.01 0.00 -1.33 0.00 0.00 58.87 57.97 2dn8 n SER 98 Cb 0.50 -1.40 -0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2dn8 n SER 98 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dn8 n SER 99 N -2.79 1.11 0.00 -3.46 7.64 -1.26 -5.11 113.62 109.76 2dn8 n SER 99 Ca -0.02 0.15 0.14 0.00 1.01 0.00 0.00 58.87 60.15 2dn8 n SER 99 Cb 0.20 -0.36 0.82 0.00 -1.01 0.00 0.00 64.21 63.85 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64