#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 0.00 -3.60 1.61 3.41 -1.26 -5.19 113.62 108.59 2dn8 n SER 2 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2dn8 n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2dn8 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dn8 s SER 3 N 0.00 -0.20 0.00 4.04 0.15 -1.26 -5.19 113.70 111.24 2dn8 s SER 3 Ca 0.00 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dn8 s SER 3 Cb 0.00 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2dn8 s SER 3 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dn8 n GLY 4 N 0.50 1.02 3.18 9.45 0.00 -1.26 -5.17 105.19 112.91 2dn8 n GLY 4 Ca -0.05 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 2.06 -0.37 1.61 0.01 -1.26 -5.07 113.70 110.69 2dn8 s SER 5 Ca 0.00 -0.42 -0.33 0.00 1.31 0.00 0.00 55.95 56.51 2dn8 s SER 5 Cb 0.00 -0.18 -0.11 0.00 0.21 0.00 0.00 66.02 65.94 2dn8 s SER 5 CO 0.00 0.14 2.23 -1.20 0.41 0.00 0.00 173.24 174.83 2dn8 n SER 6 N 2.18 2.21 -3.60 2.44 7.64 -1.26 -4.90 113.62 118.34 2dn8 n SER 6 Ca -0.16 0.31 -0.28 0.00 1.01 0.00 0.00 58.87 59.75 2dn8 n SER 6 Cb 0.54 -1.31 -0.16 0.00 -1.01 0.00 0.00 64.21 62.27 2dn8 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn8 s GLY 7 N 7.85 0.48 0.44 0.23 0.00 -1.26 -4.95 107.32 110.11 2dn8 s GLY 7 Ca 1.09 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2dn8 s GLY 7 CO 0.46 1.84 0.00 2.41 0.00 0.00 0.00 173.10 177.81 2dn8 n THR 8 N 5.22 0.00 -2.10 0.90 -1.04 -1.26 -5.14 114.28 110.86 2dn8 n THR 8 Ca -0.06 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2dn8 n THR 8 Cb 0.45 -0.14 -0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 1.46 3.32 -3.17 0.00 0.24 -1.26 -5.00 118.33 113.92 2dn8 n VAL 10 Ca -0.03 -0.50 0.05 0.00 -2.04 0.00 0.00 64.34 61.82 2dn8 n VAL 10 Cb 0.04 -1.37 -0.02 0.00 -1.47 0.00 0.00 33.84 31.03 2dn8 n VAL 10 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2dn8 s PHE 11 N -1.35 -0.65 -0.04 6.34 0.08 -1.26 -5.16 117.98 115.93 2dn8 s PHE 11 Ca 0.70 0.74 0.07 0.00 0.12 0.00 0.00 56.93 58.55 2dn8 s PHE 11 Cb -0.46 0.25 -0.01 0.00 -0.57 0.00 0.00 43.02 42.23 2dn8 s PHE 11 CO 0.51 -0.35 -0.25 -2.00 -0.10 0.00 0.00 175.22 173.03 2dn8 s GLU 12 N 2.88 2.40 -0.49 0.44 2.56 -1.26 -5.05 118.70 120.18 2dn8 s GLU 12 Ca 0.01 -0.91 0.05 0.00 0.00 0.00 0.00 54.97 54.12 2dn8 s GLU 12 Cb -0.10 -2.12 0.23 0.00 2.00 0.00 0.00 34.13 34.14 2dn8 s GLU 12 CO -0.13 0.44 0.87 1.63 -0.56 0.00 0.00 175.26 177.51 2dn8 n LYS 13 N 2.78 0.65 -0.55 4.30 5.02 -1.26 -5.14 118.16 123.95 2dn8 n LYS 13 Ca -0.17 -1.74 0.07 0.00 -2.02 0.00 0.00 58.31 54.46 2dn8 n LYS 13 Cb 0.52 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 34.16 2dn8 n LYS 13 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2dn8 n GLU 14 N 2.08 -1.10 -3.73 1.97 1.02 -1.26 -4.86 120.64 114.75 2dn8 n GLU 14 Ca 0.11 0.73 -0.16 0.00 -0.02 0.00 0.00 57.16 57.82 2dn8 n GLU 14 Cb 0.61 -1.35 -0.16 0.00 -0.02 0.00 0.00 31.44 30.52 2dn8 n GLU 14 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2dn8 s ASN 15 N -5.12 0.38 0.57 1.62 0.01 -1.26 -5.14 114.94 106.01 2dn8 s ASN 15 Ca 0.00 0.10 -0.20 0.00 -0.71 0.00 0.00 52.86 52.05 2dn8 s ASN 15 Cb 0.00 -0.03 -0.05 0.00 0.41 0.00 0.00 41.25 41.58 2dn8 s ASN 15 CO 0.00 -0.17 1.10 0.47 -1.51 0.00 0.00 177.10 176.99 2dn8 n ASP 16 N 4.57 1.45 0.00 -1.22 9.92 -1.26 -4.86 116.55 125.15 2dn8 n ASP 16 Ca -0.19 0.88 0.11 0.00 -0.53 0.00 0.00 54.79 55.05 2dn8 n ASP 16 Cb 0.50 -1.45 0.52 0.00 -0.64 0.00 0.00 41.12 40.05 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2dn8 n PRO 17 N -0.97 0.15 -1.16 -0.24 -0.04 -1.26 -2.70 135.00 128.79 2dn8 n PRO 17 Ca 0.13 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.50 2dn8 n PRO 17 Cb 0.46 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.64 2dn8 n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dn8 n THR 18 N -1.40 3.11 -4.41 0.52 -2.24 -1.26 -4.85 114.28 103.74 2dn8 n THR 18 Ca 0.08 -1.81 -0.20 0.00 -2.27 0.00 0.00 64.05 59.85 2dn8 n THR 18 Cb 0.22 -0.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 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 -3.17 0.99 -0.39 2.28 0.11 -1.10 -1.35 120.40 117.78 2dn8 s VAL 19 Ca 0.56 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 2dn8 s VAL 19 Cb 0.46 -0.87 0.10 0.00 -1.53 0.00 0.00 36.38 34.54 2dn8 s VAL 19 CO 0.12 0.10 0.16 -0.76 -3.33 0.00 0.00 175.10 171.39 2dn8 s LEU 20 N -0.76 5.03 0.37 2.54 1.43 -0.67 -4.79 118.68 121.84 2dn8 s LEU 20 Ca 0.02 -1.98 0.02 0.00 -1.03 0.00 0.00 54.13 51.16 2dn8 s LEU 20 Cb -0.06 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2dn8 s LEU 20 CO 0.00 -0.49 0.57 -0.13 0.23 0.00 0.00 176.35 176.53 2dn8 s ARG 21 N 1.11 3.28 -0.14 1.70 0.52 -1.26 -2.51 118.95 121.64 2dn8 s ARG 21 Ca 0.07 -0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 54.52 2dn8 s ARG 21 Cb -0.22 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 2dn8 s ARG 21 CO -0.05 0.01 0.80 0.45 0.02 0.00 0.00 175.30 176.53 2dn8 s SER 22 N -4.12 6.97 0.49 0.23 0.15 0.07 -4.90 113.70 112.60 2dn8 s SER 22 Ca 0.43 1.18 0.28 0.00 0.70 0.00 0.00 55.95 58.55 2dn8 s SER 22 Cb -0.10 -2.45 0.86 0.00 -1.71 0.00 0.00 66.02 62.63 2dn8 s SER 22 CO 0.35 -0.33 1.80 1.55 1.20 0.00 0.00 173.24 177.82 2dn8 h PRO 23 N 7.20 0.00 -2.24 5.44 0.13 -1.91 -0.46 132.00 140.16 2dn8 h PRO 23 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2dn8 h PRO 23 Cb 1.15 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 2dn8 h PRO 23 CO 0.81 0.01 0.24 0.45 -0.23 0.00 0.00 178.00 179.28 2dn8 s SER 24 N -5.95 -0.60 0.66 1.44 0.15 -1.26 -4.76 113.70 103.36 2dn8 s SER 24 Ca 0.04 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.99 2dn8 s SER 24 Cb 0.07 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dn8 s SER 24 CO 0.61 -0.68 1.27 0.00 1.20 0.00 0.00 173.24 175.63 2dn8 s ALA 25 N -1.93 2.35 0.00 5.45 0.00 -1.26 -4.35 121.76 122.02 2dn8 s ALA 25 Ca -0.06 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2dn8 s ALA 25 Cb -0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2dn8 s ALA 25 CO 0.03 -1.59 0.00 0.41 0.00 0.00 0.00 175.76 174.60 2dn8 n GLY 26 N 0.75 1.28 2.67 0.00 0.00 0.11 -4.71 105.19 105.29 2dn8 n GLY 26 Ca 0.15 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 1.83 0.01 0.33 1.61 2.20 0.47 -0.43 119.74 125.77 2dn8 s LYS 27 Ca 0.00 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.51 2dn8 s LYS 27 Cb 0.00 -1.10 -0.11 0.00 -1.51 0.00 0.00 37.83 35.12 2dn8 s LYS 27 CO 0.00 -0.50 1.42 -1.17 -0.36 0.00 0.00 175.35 174.74 2dn8 s LEU 28 N 2.18 4.37 0.00 5.43 2.96 -0.81 0.09 118.68 132.91 2dn8 s LEU 28 Ca 0.04 2.84 -0.01 0.00 -0.22 0.00 0.00 54.13 56.78 2dn8 s LEU 28 Cb -0.14 -3.65 -0.00 0.00 0.50 0.00 0.00 46.19 42.90 2dn8 s LEU 28 CO -0.07 -0.72 -0.02 0.35 -1.32 0.00 0.00 176.35 174.58 2dn8 n THR 29 N 1.00 0.19 -3.86 3.68 -2.24 -1.24 -1.94 114.28 109.86 2dn8 n THR 29 Ca 0.02 0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 61.97 2dn8 n THR 29 Cb 0.40 -1.26 0.01 0.00 -2.10 0.00 0.00 70.33 67.38 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 -1.19 1.07 0.53 -0.78 -2.07 -1.26 -3.99 119.66 111.96 2dn8 s GLN 30 Ca -0.01 -0.67 0.03 0.00 -1.82 0.00 0.00 55.36 52.89 2dn8 s GLN 30 Cb 0.00 0.31 0.04 0.00 -1.09 0.00 0.00 33.01 32.27 2dn8 s GLN 30 CO 0.02 -0.50 0.73 0.71 -1.32 0.00 0.00 175.29 174.93 2dn8 s TYR 31 N -2.31 2.69 -0.04 9.60 2.02 -1.26 -3.04 117.35 125.01 2dn8 s TYR 31 Ca 0.21 -0.17 0.06 0.00 -0.37 0.00 0.00 57.07 56.80 2dn8 s TYR 31 Cb -0.01 -2.64 0.09 0.00 -0.40 0.00 0.00 41.96 39.00 2dn8 s TYR 31 CO 0.03 -0.81 0.96 0.25 -1.57 0.00 0.00 175.55 174.41 2dn8 n THR 32 N -2.23 0.80 -4.21 -0.71 -2.24 -0.37 -4.91 114.28 100.41 2dn8 n THR 32 Ca 0.09 -0.92 -0.16 0.00 -2.27 0.00 0.00 64.05 60.79 2dn8 n THR 32 Cb 0.60 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.12 1.13 0.99 2.28 -7.23 -1.25 -4.95 120.40 110.24 2dn8 s VAL 33 Ca 0.10 -1.71 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 2dn8 s VAL 33 Cb 0.09 -1.47 0.20 0.00 0.56 0.00 0.00 36.38 35.77 2dn8 s VAL 33 CO 0.01 -0.51 1.27 -1.83 -0.31 0.00 0.00 175.10 173.73 2dn8 s GLU 34 N -2.81 0.45 0.06 4.82 -1.05 -1.26 -4.82 118.70 114.09 2dn8 s GLU 34 Ca 0.08 -0.29 -0.36 0.00 -0.15 0.00 0.00 54.97 54.24 2dn8 s GLU 34 Cb -0.03 -1.81 -0.16 0.00 -0.44 0.00 0.00 34.13 31.69 2dn8 s GLU 34 CO 0.01 -2.56 1.46 -3.47 0.95 0.00 0.00 175.26 171.65 2dn8 n ASP 35 N -3.90 2.16 -3.72 0.83 2.03 -1.26 -0.08 116.55 112.62 2dn8 n ASP 35 Ca 0.14 1.10 -0.28 0.00 0.52 0.00 0.00 54.79 56.27 2dn8 n ASP 35 Cb 0.60 -1.25 0.03 0.00 -0.72 0.00 0.00 41.12 39.77 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 2.99 -0.51 3.71 0.27 0.00 -1.24 -4.87 105.19 105.54 2dn8 n GLY 36 Ca 0.19 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.18 1.39 -0.05 -0.02 0.00 0.89 -4.66 107.32 101.68 2dn8 s GLY 37 Ca 0.59 1.44 -0.02 0.00 0.00 0.00 0.00 44.72 46.73 2dn8 s GLY 37 CO 0.73 2.89 0.06 -1.58 0.00 0.00 0.00 173.10 175.20 2dn8 s HIS 38 N 1.83 3.27 0.31 1.90 5.04 -1.26 0.05 115.29 126.43 2dn8 s HIS 38 Ca 0.75 0.24 -0.08 0.00 -1.54 0.00 0.00 55.06 54.43 2dn8 s HIS 38 Cb -0.46 -1.78 0.03 0.00 0.04 0.00 0.00 32.58 30.42 2dn8 s HIS 38 CO 0.33 0.54 0.55 1.33 -2.34 0.00 0.00 174.74 175.15 2dn8 n VAL 39 N 1.65 0.00 -4.06 0.89 0.24 -1.18 -5.00 118.33 110.88 2dn8 n VAL 39 Ca -0.16 -1.07 -0.22 0.00 -2.04 0.00 0.00 64.34 60.85 2dn8 n VAL 39 Cb 0.53 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.70 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 -2.31 2.66 -0.78 7.34 -1.05 -1.26 -2.43 118.70 120.87 2dn8 s GLU 40 Ca 0.17 -1.28 -0.25 0.00 -0.15 0.00 0.00 54.97 53.46 2dn8 s GLU 40 Cb -0.03 -2.40 -0.05 0.00 -0.44 0.00 0.00 34.13 31.21 2dn8 s GLU 40 CO 0.13 0.25 2.01 0.00 0.95 0.00 0.00 175.26 178.60 2dn8 s ALA 41 N -2.27 1.68 0.00 -0.84 0.00 -1.26 -1.95 121.76 117.12 2dn8 s ALA 41 Ca 0.36 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2dn8 s ALA 41 Cb -0.06 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.59 2dn8 s ALA 41 CO 0.24 -4.68 0.00 0.41 0.00 0.00 0.00 175.76 171.73 2dn8 n GLY 42 N 6.47 0.49 2.59 0.00 0.00 -1.18 -4.89 105.19 108.65 2dn8 n GLY 42 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.17 2dn8 n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn8 n SER 43 N 0.00 -0.01 -4.30 1.61 2.88 -0.82 -4.86 113.62 108.12 2dn8 n SER 43 Ca 0.00 -1.31 -0.32 0.00 -1.33 0.00 0.00 58.87 55.91 2dn8 n SER 43 Cb 0.00 -0.69 -0.16 0.00 -0.75 0.00 0.00 64.21 62.62 2dn8 n SER 43 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn8 s SER 44 N -4.24 3.37 -0.01 -3.46 1.04 -1.26 -3.18 113.70 105.97 2dn8 s SER 44 Ca 0.51 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.53 2dn8 s SER 44 Cb -0.01 -1.18 -0.08 0.00 0.10 0.00 0.00 66.02 64.86 2dn8 s SER 44 CO 0.36 0.21 0.13 0.00 0.98 0.00 0.00 173.24 174.92 2dn8 n TYR 45 N 3.18 0.00 -3.55 5.02 0.18 -0.00 -4.81 117.16 117.18 2dn8 n TYR 45 Ca -0.18 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.54 2dn8 n TYR 45 Cb 0.52 -0.09 0.01 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 -1.56 -1.02 -2.70 -3.48 0.00 -1.10 -1.24 120.51 109.41 2dn8 n ALA 46 Ca -0.01 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 2dn8 n ALA 46 Cb 0.12 0.66 -0.07 0.00 0.00 0.00 0.00 19.45 20.17 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 -2.11 1.53 0.11 0.00 2.02 -1.17 0.18 118.70 119.26 2dn8 s GLU 47 Ca 0.11 -1.56 -0.12 0.00 0.02 0.00 0.00 54.97 53.42 2dn8 s GLU 47 Cb -0.03 0.38 0.01 0.00 0.10 0.00 0.00 34.13 34.60 2dn8 s GLU 47 CO 0.08 -0.59 0.29 0.00 0.02 0.00 0.00 175.26 175.06 2dn8 s MET 48 N -3.80 0.97 -0.29 1.61 0.23 0.34 -3.67 119.30 114.69 2dn8 s MET 48 Ca 0.32 -0.88 0.03 0.00 -1.03 0.00 0.00 55.69 54.12 2dn8 s MET 48 Cb 0.02 0.40 0.08 0.00 -1.53 0.00 0.00 34.83 33.80 2dn8 s MET 48 CO 0.14 -0.35 -0.04 -2.00 -2.03 0.00 0.00 175.02 170.74 2dn8 s GLU 49 N -3.85 1.96 -0.01 3.16 2.12 0.11 0.14 118.70 122.33 2dn8 s GLU 49 Ca 0.05 -1.55 0.04 0.00 0.36 0.00 0.00 54.97 53.87 2dn8 s GLU 49 Cb 0.03 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 2dn8 s GLU 49 CO -0.10 -0.71 -0.13 0.54 -0.54 0.00 0.00 175.26 174.32 2dn8 s VAL 50 N 1.03 1.02 -1.45 3.70 0.11 0.20 -0.39 120.40 124.62 2dn8 s VAL 50 Ca -0.01 -0.57 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 2dn8 s VAL 50 Cb -0.20 -0.85 0.05 0.00 -1.53 0.00 0.00 36.38 33.85 2dn8 s VAL 50 CO -0.06 0.27 0.72 0.23 -3.33 0.00 0.00 175.10 172.94 2dn8 n MET 51 N 2.73 -4.90 -1.19 1.54 2.81 -1.26 0.86 117.12 117.71 2dn8 n MET 51 Ca -0.14 0.69 -0.06 0.00 -1.81 0.00 0.00 57.70 56.37 2dn8 n MET 51 Cb 0.56 -5.53 -0.03 0.00 -0.71 0.00 0.00 33.22 27.51 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 -4.20 -1.33 -5.10 0.03 5.02 -1.26 -4.96 118.16 106.36 2dn8 n LYS 52 Ca -0.03 0.65 -0.32 0.00 -2.02 0.00 0.00 58.31 56.59 2dn8 n LYS 52 Cb 0.57 -4.79 -0.16 0.00 -0.02 0.00 0.00 35.03 30.63 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 -2.24 2.80 -0.33 1.97 -1.94 0.25 -5.10 119.30 114.71 2dn8 s MET 53 Ca 0.00 -0.82 -0.21 0.00 -1.71 0.00 0.00 55.69 52.94 2dn8 s MET 53 Cb 0.00 -2.32 -0.00 0.00 2.01 0.00 0.00 34.83 34.52 2dn8 s MET 53 CO 0.00 0.35 0.68 0.42 -0.01 0.00 0.00 175.02 176.46 2dn8 s ILE 54 N -0.06 4.87 -0.05 2.53 -1.09 -1.26 0.62 121.20 126.75 2dn8 s ILE 54 Ca -0.05 0.80 0.02 0.00 -2.23 0.00 0.00 60.65 59.18 2dn8 s ILE 54 Cb -0.14 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2dn8 s ILE 54 CO 0.04 -0.27 -0.08 -0.32 -1.23 0.00 0.00 174.94 173.08 2dn8 s MET 55 N 2.77 2.67 0.35 2.79 -2.45 0.36 -4.92 119.30 120.88 2dn8 s MET 55 Ca 0.27 -0.60 -0.23 0.00 -1.25 0.00 0.00 55.69 53.88 2dn8 s MET 55 Cb -0.14 -2.54 -0.10 0.00 1.25 0.00 0.00 34.83 33.29 2dn8 s MET 55 CO 0.14 0.65 0.92 0.99 1.05 0.00 0.00 175.02 178.77 2dn8 s THR 56 N -0.82 4.32 -0.26 10.11 2.01 -1.26 0.13 115.64 129.86 2dn8 s THR 56 Ca 0.13 1.63 -0.07 0.00 0.31 0.00 0.00 61.69 63.69 2dn8 s THR 56 Cb -0.11 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2dn8 s THR 56 CO 0.02 -0.04 0.06 -0.76 -0.69 0.00 0.00 174.62 173.21 2dn8 s LEU 57 N -2.50 3.51 0.36 4.42 1.43 0.47 -4.84 118.68 121.53 2dn8 s LEU 57 Ca 0.54 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2dn8 s LEU 57 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2dn8 s LEU 57 CO 0.19 -0.09 0.39 0.20 0.23 0.00 0.00 176.35 177.28 2dn8 s ASN 58 N 1.56 5.46 -0.19 2.29 0.01 -1.26 -0.82 114.94 121.99 2dn8 s ASN 58 Ca 0.05 -0.46 -0.12 0.00 -0.71 0.00 0.00 52.86 51.62 2dn8 s ASN 58 Cb -0.16 -0.91 -0.05 0.00 0.41 0.00 0.00 41.25 40.55 2dn8 s ASN 58 CO 0.02 -0.49 0.21 0.68 -1.51 0.00 0.00 177.10 176.01 2dn8 s VAL 59 N -2.31 5.36 0.39 1.60 -7.23 -1.19 -4.88 120.40 112.13 2dn8 s VAL 59 Ca 0.45 0.35 0.07 0.00 -1.81 0.00 0.00 61.98 61.05 2dn8 s VAL 59 Cb -0.07 -3.54 0.21 0.00 0.56 0.00 0.00 36.38 33.54 2dn8 s VAL 59 CO 0.29 0.41 1.98 -0.61 -0.31 0.00 0.00 175.10 176.85 2dn8 h GLN 60 N 6.75 0.43 -3.07 4.82 -0.00 -1.94 -3.14 115.11 118.98 2dn8 h GLN 60 Ca -0.41 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.65 58.00 2dn8 h GLN 60 Cb 1.16 -0.08 -0.28 0.00 0.00 0.00 0.00 27.48 28.28 2dn8 h GLN 60 CO 0.75 0.40 -0.45 -1.21 0.00 0.00 0.00 178.83 178.31 2dn8 s GLU 61 N -5.14 0.25 0.55 1.69 0.41 -1.26 -4.78 118.70 110.41 2dn8 s GLU 61 Ca -0.07 0.45 -0.14 0.00 -0.41 0.00 0.00 54.97 54.80 2dn8 s GLU 61 Cb 0.16 -0.00 -0.12 0.00 -1.78 0.00 0.00 34.13 32.39 2dn8 s GLU 61 CO 0.74 -0.10 -0.29 2.89 -0.49 0.00 0.00 175.26 178.00 2dn8 n ARG 62 N 3.65 0.00 0.00 1.61 1.85 -1.26 -4.66 116.66 117.85 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 0.55 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.16 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 2.30 2.85 3.72 2.89 0.00 -1.02 -4.67 105.19 111.26 2dn8 n GLY 63 Ca 0.04 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.11 4.46 0.18 1.61 0.52 0.11 -3.10 118.95 120.61 2dn8 s ARG 64 Ca 0.00 0.97 -0.25 0.00 -0.52 0.00 0.00 55.73 55.93 2dn8 s ARG 64 Cb 0.00 -3.43 -0.08 0.00 0.52 0.00 0.00 34.95 31.95 2dn8 s ARG 64 CO 0.00 0.09 0.78 0.08 0.02 0.00 0.00 175.30 176.27 2dn8 s VAL 65 N 0.69 4.37 0.18 3.52 1.01 0.11 -1.11 120.40 129.16 2dn8 s VAL 65 Ca 0.39 1.69 0.05 0.00 0.00 0.00 0.00 61.98 64.11 2dn8 s VAL 65 Cb -0.18 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2dn8 s VAL 65 CO 0.20 0.49 -0.09 -0.75 0.00 0.00 0.00 175.10 174.95 2dn8 s LYS 66 N -1.24 1.18 -0.22 2.72 2.20 -1.15 -3.54 119.74 119.69 2dn8 s LYS 66 Ca 0.37 -1.53 -0.20 0.00 -0.36 0.00 0.00 55.97 54.25 2dn8 s LYS 66 Cb -0.23 -0.75 -0.03 0.00 -1.51 0.00 0.00 37.83 35.32 2dn8 s LYS 66 CO 0.26 0.07 0.58 -0.47 -0.36 0.00 0.00 175.35 175.43 2dn8 s TYR 67 N -3.26 3.33 0.01 4.03 5.04 -1.26 -3.98 117.35 121.26 2dn8 s TYR 67 Ca 0.20 0.81 -0.01 0.00 -2.44 0.00 0.00 57.07 55.63 2dn8 s TYR 67 Cb 0.02 -2.76 -0.00 0.00 0.35 0.00 0.00 41.96 39.57 2dn8 s TYR 67 CO 0.04 -0.21 -0.03 -0.89 -1.34 0.00 0.00 175.55 173.12 2dn8 n ILE 68 N 4.87 0.42 -3.52 3.14 2.08 -1.25 -4.94 119.36 120.16 2dn8 n ILE 68 Ca -0.02 0.19 -0.34 0.00 0.56 0.00 0.00 62.75 63.14 2dn8 n ILE 68 Cb 0.50 -1.33 -0.05 0.00 -0.75 0.00 0.00 39.64 38.01 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 -1.39 3.80 0.66 0.38 -0.14 -1.02 -5.06 119.74 116.96 2dn8 s LYS 69 Ca -0.02 0.23 -0.17 0.00 -1.36 0.00 0.00 55.97 54.65 2dn8 s LYS 69 Cb 0.00 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2dn8 s LYS 69 CO 0.03 0.50 1.21 1.03 -0.76 0.00 0.00 175.35 177.36 2dn8 s ARG 70 N -2.14 2.60 -0.15 1.68 1.81 -1.26 -4.94 118.95 116.56 2dn8 s ARG 70 Ca 0.37 1.80 -0.29 0.00 -1.72 0.00 0.00 55.73 55.89 2dn8 s ARG 70 Cb -0.14 -1.88 -0.02 0.00 -0.45 0.00 0.00 34.95 32.46 2dn8 s ARG 70 CO 0.19 -1.49 1.26 -1.25 -0.68 0.00 0.00 175.30 173.33 2dn8 s PRO 71 N -3.61 4.25 0.00 3.54 0.04 -1.26 -3.19 135.00 134.77 2dn8 s PRO 71 Ca 0.76 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.48 2dn8 s PRO 71 Cb -0.30 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2dn8 s PRO 71 CO 0.39 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.16 2dn8 n GLY 72 N 3.59 1.56 3.88 0.56 0.00 -0.82 -4.93 105.19 109.03 2dn8 n GLY 72 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 3.10 -0.78 4.61 0.00 -1.19 -4.81 121.76 120.68 2dn8 s ALA 73 Ca 0.00 -0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.49 2dn8 s ALA 73 Cb 0.00 -2.99 0.04 0.00 0.00 0.00 0.00 23.12 20.17 2dn8 s ALA 73 CO 0.00 -0.75 1.28 0.54 0.00 0.00 0.00 175.76 176.82 2dn8 s VAL 74 N -3.16 3.83 0.13 0.00 0.11 -1.26 -1.92 120.40 118.13 2dn8 s VAL 74 Ca 0.55 0.09 -0.31 0.00 -2.93 0.00 0.00 61.98 59.38 2dn8 s VAL 74 Cb -0.11 -4.92 -0.09 0.00 -1.53 0.00 0.00 36.38 29.73 2dn8 s VAL 74 CO 0.52 -1.83 1.48 -0.22 -3.33 0.00 0.00 175.10 171.73 2dn8 s LEU 75 N 5.38 4.37 0.11 2.54 1.98 0.43 -4.92 118.68 128.57 2dn8 s LEU 75 Ca 0.36 2.46 0.07 0.00 -2.89 0.00 0.00 54.13 54.12 2dn8 s LEU 75 Cb -0.07 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.15 2dn8 s LEU 75 CO 0.10 -0.74 -0.16 -1.61 -1.89 0.00 0.00 176.35 172.04 2dn8 s GLU 76 N 1.21 1.03 0.08 1.98 2.02 -1.26 0.04 118.70 123.80 2dn8 s GLU 76 Ca 0.67 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.19 2dn8 s GLU 76 Cb -0.40 -1.06 -0.10 0.00 0.10 0.00 0.00 34.13 32.67 2dn8 s GLU 76 CO 0.31 0.23 1.91 0.00 0.02 0.00 0.00 175.26 177.72 2dn8 s ALA 77 N -1.65 3.67 -0.47 5.21 0.00 -1.26 -2.54 121.76 124.73 2dn8 s ALA 77 Ca 0.06 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 2dn8 s ALA 77 Cb -0.08 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 2dn8 s ALA 77 CO 0.04 -1.41 0.40 0.41 0.00 0.00 0.00 175.76 175.20 2dn8 n GLY 78 N 4.41 0.05 3.47 0.00 0.00 -0.18 -4.90 105.19 108.04 2dn8 n GLY 78 Ca 0.19 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.30 5.33 0.05 0.00 0.11 -1.26 -0.75 120.40 120.57 2dn8 s VAL 80 Ca 0.32 0.45 -0.02 0.00 -2.93 0.00 0.00 61.98 59.80 2dn8 s VAL 80 Cb 0.07 -3.56 -0.01 0.00 -1.53 0.00 0.00 36.38 31.35 2dn8 s VAL 80 CO 0.15 0.49 -0.03 0.52 -3.33 0.00 0.00 175.10 172.89 2dn8 n VAL 81 N 2.87 0.94 -4.04 2.04 0.31 -1.05 -4.82 118.33 114.58 2dn8 n VAL 81 Ca -0.15 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.34 2dn8 n VAL 81 Cb 0.53 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.07 0.15 0.02 3.52 0.00 -1.23 -2.44 121.76 119.72 2dn8 s ALA 82 Ca -0.03 -1.12 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2dn8 s ALA 82 Cb 0.01 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 2dn8 s ALA 82 CO 0.04 -0.80 -0.10 1.03 0.00 0.00 0.00 175.76 175.93 2dn8 s ARG 83 N -3.86 2.39 -0.11 0.00 1.81 -1.26 -1.67 118.95 116.26 2dn8 s ARG 83 Ca 0.26 -0.82 -0.12 0.00 -1.72 0.00 0.00 55.73 53.34 2dn8 s ARG 83 Cb 0.01 -2.40 -0.05 0.00 -0.45 0.00 0.00 34.95 32.05 2dn8 s ARG 83 CO 0.11 0.58 0.28 -1.17 -0.68 0.00 0.00 175.30 174.42 2dn8 s LEU 84 N -1.49 4.34 -0.47 2.53 1.98 -0.46 -2.93 118.68 122.18 2dn8 s LEU 84 Ca 0.17 0.62 0.04 0.00 -2.89 0.00 0.00 54.13 52.07 2dn8 s LEU 84 Cb -0.11 -2.35 0.12 0.00 0.66 0.00 0.00 46.19 44.51 2dn8 s LEU 84 CO 0.08 0.24 0.21 -0.70 -1.89 0.00 0.00 176.35 174.29 2dn8 s GLU 85 N -0.34 1.77 -0.28 1.98 2.12 -0.27 -4.63 118.70 119.05 2dn8 s GLU 85 Ca 0.18 -2.37 -0.34 0.00 0.36 0.00 0.00 54.97 52.80 2dn8 s GLU 85 Cb -0.14 -3.14 -0.10 0.00 0.26 0.00 0.00 34.13 31.01 2dn8 s GLU 85 CO 0.06 -1.08 2.12 1.28 -0.54 0.00 0.00 175.26 177.10 2dn8 n LEU 86 N 3.42 2.59 0.00 2.70 4.77 -1.26 -0.71 117.00 128.50 2dn8 n LEU 86 Ca 0.05 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2dn8 n LEU 86 Cb 0.34 -1.33 0.27 0.00 -2.33 0.00 0.00 43.42 40.37 2dn8 n LEU 86 CO 0.30 -0.59 0.69 -0.90 -1.33 0.00 0.00 177.39 175.56 2dn8 n ASP 87 N 9.43 0.00 0.00 -1.43 5.75 -1.26 -4.48 116.55 124.56 2dn8 n ASP 87 Ca 0.35 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.60 2dn8 n ASP 87 Cb 0.28 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 2dn8 n ASP 87 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2dn8 n ASP 88 N -1.48 0.00 -2.04 -1.12 9.92 -1.26 -5.03 116.55 115.54 2dn8 n ASP 88 Ca 0.03 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.22 2dn8 n ASP 88 Cb 0.14 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.52 2dn8 n ASP 88 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2dn8 n PRO 89 N 0.00 1.37 -3.02 -0.24 -0.04 -1.26 -4.31 135.00 127.50 2dn8 n PRO 89 Ca 0.00 -0.62 0.03 0.00 -0.04 0.00 0.00 63.50 62.87 2dn8 n PRO 89 Cb 0.00 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2dn8 n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 s SER 90 N 2.21 -0.68 -0.29 3.54 0.15 -1.26 -5.13 113.70 112.23 2dn8 s SER 90 Ca 0.42 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.92 2dn8 s SER 90 Cb 0.20 1.14 0.18 0.00 -1.71 0.00 0.00 66.02 65.83 2dn8 s SER 90 CO 0.00 -0.10 0.59 -0.75 1.20 0.00 0.00 173.24 174.18 2dn8 s LYS 91 N 2.42 0.55 0.16 5.44 2.47 -1.26 -5.16 119.74 124.36 2dn8 s LYS 91 Ca 0.19 1.02 0.05 0.00 -1.56 0.00 0.00 55.97 55.66 2dn8 s LYS 91 Cb -0.01 0.51 -0.04 0.00 -1.46 0.00 0.00 37.83 36.83 2dn8 s LYS 91 CO -0.18 -0.58 0.15 0.14 0.16 0.00 0.00 175.35 175.04 2dn8 s VAL 92 N 2.84 4.61 0.14 4.02 -7.23 -1.26 -5.12 120.40 118.39 2dn8 s VAL 92 Ca 0.18 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 2dn8 s VAL 92 Cb -0.15 -3.35 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2dn8 s VAL 92 CO -0.20 -0.09 0.15 -1.38 -0.31 0.00 0.00 175.10 173.27 2dn8 s HIS 93 N -1.73 3.23 0.07 2.82 -3.43 -1.26 -5.08 115.29 109.91 2dn8 s HIS 93 Ca 0.31 0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 54.31 2dn8 s HIS 93 Cb -0.10 -1.58 -0.06 0.00 -1.43 0.00 0.00 32.58 29.42 2dn8 s HIS 93 CO 0.24 0.52 1.16 -1.25 -2.00 0.00 0.00 174.74 173.42 2dn8 s PRO 94 N -2.93 4.46 -0.16 -0.38 0.04 -1.26 -5.02 135.00 129.76 2dn8 s PRO 94 Ca 0.31 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 2dn8 s PRO 94 Cb -0.11 -3.35 0.08 0.00 0.04 0.00 0.00 34.50 31.16 2dn8 s PRO 94 CO 0.24 -0.20 0.76 0.45 0.04 0.00 0.00 177.00 178.29 2dn8 s SER 95 N 0.94 -0.64 0.00 6.66 0.15 -1.26 -5.17 113.70 114.38 2dn8 s SER 95 Ca 0.57 0.95 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2dn8 s SER 95 Cb -0.28 0.87 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2dn8 s SER 95 CO 0.30 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dn8 n GLY 96 N 1.62 4.06 3.57 9.45 0.00 -1.26 -4.98 105.19 117.65 2dn8 n GLY 96 Ca -0.16 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.24 3.20 0.02 1.61 0.04 -1.26 -4.94 135.00 130.43 2dn8 s PRO 97 Ca 0.00 -1.27 -0.30 0.00 0.04 0.00 0.00 61.00 59.47 2dn8 s PRO 97 Cb 0.00 -5.33 -0.08 0.00 0.04 0.00 0.00 34.50 29.14 2dn8 s PRO 97 CO 0.00 -2.98 1.75 -1.54 0.04 0.00 0.00 177.00 174.27 2dn8 s SER 98 N 5.75 6.57 0.43 6.66 1.04 -1.26 -4.63 113.70 128.26 2dn8 s SER 98 Ca 0.60 2.47 0.00 0.00 0.48 0.00 0.00 55.95 59.49 2dn8 s SER 98 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2dn8 s SER 98 CO 0.04 -0.95 0.00 -0.24 0.98 0.00 0.00 173.24 173.07 2dn8 n SER 99 N 6.67 -6.13 -0.46 7.02 2.88 -1.26 -5.29 113.62 117.05 2dn8 n SER 99 Ca 0.18 1.35 0.06 0.00 -1.33 0.00 0.00 58.87 59.12 2dn8 n SER 99 Cb 0.41 -3.44 0.05 0.00 -0.75 0.00 0.00 64.21 60.48 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42