#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 s SER 2 N 0.00 0.07 0.21 1.61 0.01 -1.26 -5.18 113.70 109.17 2dn8 s SER 2 Ca 0.00 -1.12 0.11 0.00 1.31 0.00 0.00 55.95 56.25 2dn8 s SER 2 Cb 0.00 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 2dn8 s SER 2 CO 0.00 -0.92 -0.23 -0.55 0.41 0.00 0.00 173.24 171.95 2dn8 s SER 3 N -3.06 3.39 -0.29 2.44 0.15 -1.26 -5.14 113.70 109.94 2dn8 s SER 3 Ca 0.28 -0.90 -0.16 0.00 0.70 0.00 0.00 55.95 55.87 2dn8 s SER 3 Cb 0.04 -0.25 0.12 0.00 -1.71 0.00 0.00 66.02 64.22 2dn8 s SER 3 CO 0.07 0.09 0.88 -0.83 1.20 0.00 0.00 173.24 174.65 2dn8 s GLY 4 N -2.83 -0.23 0.22 9.45 0.00 -1.26 -5.18 107.32 107.49 2dn8 s GLY 4 Ca 0.22 2.89 -0.12 0.00 0.00 0.00 0.00 44.72 47.71 2dn8 s GLY 4 CO 0.10 2.56 0.41 -0.56 0.00 0.00 0.00 173.10 175.62 2dn8 s SER 5 N 1.50 -0.07 -0.04 1.64 0.01 -1.26 -5.17 113.70 110.32 2dn8 s SER 5 Ca -0.09 -0.88 0.05 0.00 1.31 0.00 0.00 55.95 56.34 2dn8 s SER 5 Cb -0.04 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.70 2dn8 s SER 5 CO -0.17 -1.05 -0.18 -0.55 0.41 0.00 0.00 173.24 171.71 2dn8 s SER 6 N -2.99 3.74 0.00 2.44 0.15 -1.26 -5.03 113.70 110.75 2dn8 s SER 6 Ca 0.20 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2dn8 s SER 6 Cb 0.01 -0.70 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2dn8 s SER 6 CO 0.05 0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2dn8 n GLY 7 N 2.33 -1.23 2.94 9.45 0.00 -1.26 -5.02 105.19 112.41 2dn8 n GLY 7 Ca -0.17 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dn8 s THR 8 N 0.00 0.34 -0.30 2.61 -1.32 -1.26 -5.12 115.64 110.59 2dn8 s THR 8 Ca 0.00 -0.17 -0.19 0.00 -1.21 0.00 0.00 61.69 60.12 2dn8 s THR 8 Cb 0.00 -0.29 0.19 0.00 -1.51 0.00 0.00 72.50 70.88 2dn8 s THR 8 CO 0.00 0.10 1.27 0.00 -2.21 0.00 0.00 174.62 173.78 2dn8 s VAL 10 N 2.46 0.23 0.42 0.00 -7.23 -1.26 -5.17 120.40 109.86 2dn8 s VAL 10 Ca -0.04 -0.93 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 2dn8 s VAL 10 Cb -0.04 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.50 2dn8 s VAL 10 CO -0.12 -0.45 0.04 -0.36 -0.31 0.00 0.00 175.10 173.90 2dn8 s PHE 11 N -1.39 2.08 -0.31 2.82 0.08 -1.26 -5.13 117.98 114.87 2dn8 s PHE 11 Ca -0.14 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 55.99 2dn8 s PHE 11 Cb -0.10 -1.51 0.14 0.00 -0.57 0.00 0.00 43.02 40.98 2dn8 s PHE 11 CO -0.01 0.16 0.30 -2.00 -0.10 0.00 0.00 175.22 173.57 2dn8 s GLU 12 N -3.80 0.38 -0.44 0.44 2.12 -1.26 -5.11 118.70 111.04 2dn8 s GLU 12 Ca 0.25 -0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 2dn8 s GLU 12 Cb 0.06 -0.71 0.03 0.00 0.26 0.00 0.00 34.13 33.77 2dn8 s GLU 12 CO 0.13 -1.07 0.56 0.21 -0.54 0.00 0.00 175.26 174.55 2dn8 s LYS 13 N 2.14 3.18 -0.30 4.30 2.47 -1.26 -4.96 119.74 125.31 2dn8 s LYS 13 Ca 0.11 -0.61 -0.20 0.00 -1.56 0.00 0.00 55.97 53.72 2dn8 s LYS 13 Cb -0.14 -3.98 0.20 0.00 -1.46 0.00 0.00 37.83 32.44 2dn8 s LYS 13 CO -0.27 -0.98 1.32 -1.21 0.16 0.00 0.00 175.35 174.37 2dn8 s GLU 14 N 2.52 0.01 -0.09 4.03 2.02 -1.26 -5.17 118.70 120.77 2dn8 s GLU 14 Ca 0.17 0.03 -0.05 0.00 0.02 0.00 0.00 54.97 55.14 2dn8 s GLU 14 Cb -0.16 0.02 0.03 0.00 0.10 0.00 0.00 34.13 34.12 2dn8 s GLU 14 CO 0.16 -0.00 0.21 1.21 0.02 0.00 0.00 175.26 176.85 2dn8 s ASN 15 N 2.03 -0.21 -0.30 -0.19 3.84 -1.26 -5.12 114.94 113.72 2dn8 s ASN 15 Ca 0.01 0.43 -0.01 0.00 0.21 0.00 0.00 52.86 53.51 2dn8 s ASN 15 Cb -0.00 0.37 0.19 0.00 -0.55 0.00 0.00 41.25 41.26 2dn8 s ASN 15 CO -0.16 -0.13 0.70 -1.81 -2.79 0.00 0.00 177.10 172.91 2dn8 s ASP 16 N 0.80 -1.28 0.00 -4.21 1.11 -1.26 -5.00 116.67 106.83 2dn8 s ASP 16 Ca -0.06 0.45 0.24 0.00 0.18 0.00 0.00 52.55 53.36 2dn8 s ASP 16 Cb -0.07 1.93 1.42 0.00 1.07 0.00 0.00 42.92 47.27 2dn8 s ASP 16 CO -0.05 -0.24 1.79 -0.81 1.18 0.00 0.00 175.17 177.04 2dn8 n PRO 17 N 5.40 0.75 -1.55 8.23 -0.04 -1.26 -3.54 135.00 142.99 2dn8 n PRO 17 Ca 0.02 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 2dn8 n PRO 17 Cb 0.53 -1.49 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.45 -3.70 0.52 -2.24 -1.26 -4.83 114.28 105.22 2dn8 n THR 18 Ca 0.18 -3.33 -0.25 0.00 -2.27 0.00 0.00 64.05 58.37 2dn8 n THR 18 Cb 0.08 -1.31 -0.17 0.00 -2.10 0.00 0.00 70.33 66.83 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 -4.06 0.25 -1.05 2.28 0.11 -1.23 -3.45 120.40 113.25 2dn8 s VAL 19 Ca 0.54 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 59.24 2dn8 s VAL 19 Cb 0.42 -0.68 0.10 0.00 -1.53 0.00 0.00 36.38 34.69 2dn8 s VAL 19 CO -0.22 -0.06 1.37 -0.76 -3.33 0.00 0.00 175.10 172.10 2dn8 s LEU 20 N 2.00 4.29 0.61 2.54 1.43 -0.92 -4.92 118.68 123.72 2dn8 s LEU 20 Ca 0.02 -1.98 -0.11 0.00 -1.03 0.00 0.00 54.13 51.03 2dn8 s LEU 20 Cb -0.15 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2dn8 s LEU 20 CO -0.07 -1.21 1.03 -0.13 0.23 0.00 0.00 176.35 176.19 2dn8 s ARG 21 N 3.64 3.62 -0.07 1.70 0.52 -1.26 -2.07 118.95 125.04 2dn8 s ARG 21 Ca 0.42 0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 56.20 2dn8 s ARG 21 Cb -0.02 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 2dn8 s ARG 21 CO -0.06 -0.55 0.54 0.45 0.02 0.00 0.00 175.30 175.70 2dn8 s SER 22 N -4.10 6.82 0.32 0.23 0.15 -0.13 -4.88 113.70 112.11 2dn8 s SER 22 Ca 0.55 0.97 0.16 0.00 0.70 0.00 0.00 55.95 58.34 2dn8 s SER 22 Cb -0.11 -2.32 0.41 0.00 -1.71 0.00 0.00 66.02 62.29 2dn8 s SER 22 CO 0.52 0.03 1.61 1.55 1.20 0.00 0.00 173.24 178.15 2dn8 h PRO 23 N 6.32 0.00 -2.80 5.44 0.13 -1.92 -2.38 132.00 136.80 2dn8 h PRO 23 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2dn8 h PRO 23 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2dn8 h PRO 23 CO 0.73 0.48 0.24 -1.12 -0.23 0.00 0.00 178.00 178.10 2dn8 s SER 24 N -6.49 -0.56 1.16 1.44 0.01 -1.26 -4.73 113.70 103.26 2dn8 s SER 24 Ca 0.01 0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.23 2dn8 s SER 24 Cb 0.10 0.57 0.28 0.00 0.21 0.00 0.00 66.02 67.18 2dn8 s SER 24 CO 0.72 -0.89 1.03 0.00 0.41 0.00 0.00 173.24 174.51 2dn8 s ALA 25 N -3.36 -0.46 0.00 1.44 0.00 -1.26 -4.43 121.76 113.68 2dn8 s ALA 25 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.92 2dn8 s ALA 25 Cb -0.01 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2dn8 s ALA 25 CO -0.10 -3.87 0.00 0.41 0.00 0.00 0.00 175.76 172.20 2dn8 n GLY 26 N 0.93 -0.75 3.15 0.00 0.00 -0.24 -4.61 105.19 103.66 2dn8 n GLY 26 Ca 0.04 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.78 0.50 0.90 1.61 1.02 -0.82 -1.76 119.74 120.42 2dn8 s LYS 27 Ca 0.00 0.77 -0.13 0.00 0.02 0.00 0.00 55.97 56.63 2dn8 s LYS 27 Cb 0.00 0.41 0.04 0.00 -0.52 0.00 0.00 37.83 37.77 2dn8 s LYS 27 CO 0.00 -0.66 0.58 -0.11 -0.92 0.00 0.00 175.35 174.24 2dn8 n LEU 28 N 5.42 0.74 0.05 3.17 7.94 -0.80 -1.26 117.00 132.25 2dn8 n LEU 28 Ca 0.00 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.30 2dn8 n LEU 28 Cb 0.52 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.21 2dn8 n LEU 28 CO -0.02 -3.23 0.00 0.35 -1.11 0.00 0.00 177.39 173.39 2dn8 n THR 29 N -3.48 0.00 -3.61 1.96 -2.24 -1.26 -2.13 114.28 103.52 2dn8 n THR 29 Ca 0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2dn8 n THR 29 Cb 0.53 -0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.28 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 s GLN 30 N -2.00 0.39 -0.12 -0.78 -2.07 -1.26 -4.09 119.66 109.73 2dn8 s GLN 30 Ca 0.00 -0.19 -0.03 0.00 -1.82 0.00 0.00 55.36 53.31 2dn8 s GLN 30 Cb 0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 2dn8 s GLN 30 CO 0.00 -0.17 0.01 0.71 -1.32 0.00 0.00 175.29 174.52 2dn8 s TYR 31 N -2.44 3.18 -0.25 9.60 1.51 -1.26 -3.14 117.35 124.54 2dn8 s TYR 31 Ca 0.12 0.10 0.28 0.00 -1.01 0.00 0.00 57.07 56.57 2dn8 s TYR 31 Cb 0.03 -1.88 1.01 0.00 -0.11 0.00 0.00 41.96 41.00 2dn8 s TYR 31 CO -0.04 0.34 1.82 1.79 -1.11 0.00 0.00 175.55 178.35 2dn8 h THR 32 N 4.45 0.00 -1.86 -0.71 1.35 -0.94 -3.44 112.91 111.76 2dn8 h THR 32 Ca -0.45 -0.53 -0.49 0.00 -0.55 0.00 0.00 66.41 64.39 2dn8 h THR 32 Cb 1.19 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2dn8 h THR 32 CO 0.59 0.00 -0.44 0.68 -0.25 0.00 0.00 175.52 176.10 2dn8 s VAL 33 N -3.42 3.67 0.59 6.82 -7.23 -1.14 -5.01 120.40 114.67 2dn8 s VAL 33 Ca 0.04 -1.31 0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2dn8 s VAL 33 Cb 0.09 -3.23 0.09 0.00 0.56 0.00 0.00 36.38 33.88 2dn8 s VAL 33 CO 0.54 -0.18 0.76 -1.61 -0.31 0.00 0.00 175.10 174.30 2dn8 s GLU 34 N -4.01 2.23 -0.16 4.82 0.41 -1.26 -4.89 118.70 115.85 2dn8 s GLU 34 Ca 0.41 -1.75 -0.39 0.00 -0.41 0.00 0.00 54.97 52.83 2dn8 s GLU 34 Cb -0.06 -2.55 -0.16 0.00 -1.78 0.00 0.00 34.13 29.57 2dn8 s GLU 34 CO 0.27 -0.90 1.59 -3.47 -0.49 0.00 0.00 175.26 172.26 2dn8 n ASP 35 N -2.23 2.06 -1.22 -0.19 2.03 -1.26 0.15 116.55 115.88 2dn8 n ASP 35 Ca 0.14 1.09 -0.12 0.00 0.52 0.00 0.00 54.79 56.43 2dn8 n ASP 35 Cb 0.62 -1.15 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 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 3.57 0.32 3.62 0.27 0.00 -1.16 -4.93 105.19 106.88 2dn8 n GLY 36 Ca 0.24 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.17 0.16 3.23 -0.02 0.00 0.39 -4.65 105.19 103.12 2dn8 n GLY 37 Ca -0.13 0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.59 3.30 0.38 1.61 2.46 -1.26 -0.20 115.29 121.00 2dn8 s HIS 38 Ca 0.64 -1.68 0.01 0.00 0.47 0.00 0.00 55.06 54.50 2dn8 s HIS 38 Cb -0.72 -2.39 0.01 0.00 -0.13 0.00 0.00 32.58 29.35 2dn8 s HIS 38 CO 0.56 -0.79 0.08 1.33 -2.47 0.00 0.00 174.74 173.44 2dn8 n VAL 39 N 4.74 0.00 -4.39 0.89 0.24 -1.16 -5.04 118.33 113.60 2dn8 n VAL 39 Ca -0.11 -1.74 -0.26 0.00 -2.04 0.00 0.00 64.34 60.19 2dn8 n VAL 39 Cb 0.44 0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.93 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 -3.44 1.73 -0.48 7.34 2.02 -1.26 -3.85 118.70 120.77 2dn8 s GLU 40 Ca 0.06 -1.50 -0.26 0.00 0.02 0.00 0.00 54.97 53.28 2dn8 s GLU 40 Cb -0.00 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.23 2dn8 s GLU 40 CO 0.04 0.39 2.33 0.00 0.02 0.00 0.00 175.26 178.04 2dn8 s ALA 41 N -1.88 1.78 0.00 5.21 0.00 -1.26 -0.17 121.76 125.44 2dn8 s ALA 41 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2dn8 s ALA 41 Cb -0.07 -4.32 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2dn8 s ALA 41 CO 0.13 -4.26 0.00 0.41 0.00 0.00 0.00 175.76 172.04 2dn8 n GLY 42 N 5.95 1.73 2.30 0.00 0.00 -1.22 -4.90 105.19 109.05 2dn8 n GLY 42 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.75 -4.26 1.61 7.64 0.76 -4.83 113.62 113.79 2dn8 n SER 43 Ca 0.00 -1.12 -0.32 0.00 1.01 0.00 0.00 58.87 58.44 2dn8 n SER 43 Cb 0.00 -0.63 -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 -3.71 3.24 -0.00 6.43 1.04 -1.26 -3.18 113.70 116.25 2dn8 s SER 44 Ca 0.46 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.41 2dn8 s SER 44 Cb -0.03 -1.29 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 2dn8 s SER 44 CO 0.33 0.18 0.12 0.00 0.98 0.00 0.00 173.24 174.85 2dn8 n TYR 45 N 3.36 0.00 -3.57 5.02 0.18 0.19 -4.74 117.16 117.59 2dn8 n TYR 45 Ca -0.18 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.56 2dn8 n TYR 45 Cb 0.53 -0.02 0.01 0.00 -0.38 0.00 0.00 39.34 39.48 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 -1.23 -1.27 -2.65 -3.48 0.00 -1.02 -0.26 120.51 110.60 2dn8 n ALA 46 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 2dn8 n ALA 46 Cb 0.06 0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.04 1.79 0.15 0.00 2.02 -1.19 0.18 118.70 119.62 2dn8 s GLU 47 Ca 0.11 -1.81 -0.17 0.00 0.02 0.00 0.00 54.97 53.11 2dn8 s GLU 47 Cb -0.02 0.39 0.04 0.00 0.10 0.00 0.00 34.13 34.64 2dn8 s GLU 47 CO 0.05 -0.71 0.46 0.00 0.02 0.00 0.00 175.26 175.07 2dn8 s MET 48 N -3.30 1.17 -0.39 1.61 0.23 0.33 -4.09 119.30 114.85 2dn8 s MET 48 Ca 0.34 -0.71 0.04 0.00 -1.03 0.00 0.00 55.69 54.33 2dn8 s MET 48 Cb 0.01 0.50 0.11 0.00 -1.53 0.00 0.00 34.83 33.92 2dn8 s MET 48 CO 0.22 -0.48 0.12 -2.00 -2.03 0.00 0.00 175.02 170.85 2dn8 s GLU 49 N -3.81 1.55 -0.01 3.16 2.12 -0.39 0.16 118.70 121.48 2dn8 s GLU 49 Ca 0.04 -2.03 0.05 0.00 0.36 0.00 0.00 54.97 53.40 2dn8 s GLU 49 Cb 0.01 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.26 2dn8 s GLU 49 CO -0.10 -1.00 -0.16 0.54 -0.54 0.00 0.00 175.26 174.00 2dn8 s VAL 50 N 0.61 2.89 -1.41 3.70 0.11 0.26 -1.94 120.40 124.62 2dn8 s VAL 50 Ca 0.13 -0.95 -0.08 0.00 -2.93 0.00 0.00 61.98 58.14 2dn8 s VAL 50 Cb -0.21 -2.16 0.05 0.00 -1.53 0.00 0.00 36.38 32.53 2dn8 s VAL 50 CO -0.07 0.48 0.62 0.23 -3.33 0.00 0.00 175.10 173.03 2dn8 n MET 51 N 1.97 -4.33 -1.12 1.54 2.81 -1.26 0.13 117.12 116.86 2dn8 n MET 51 Ca -0.16 0.65 -0.04 0.00 -1.81 0.00 0.00 57.70 56.33 2dn8 n MET 51 Cb 0.52 -5.44 -0.02 0.00 -0.71 0.00 0.00 33.22 27.57 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 -4.00 -1.28 -5.01 0.03 4.76 -1.26 -4.96 118.16 106.44 2dn8 n LYS 52 Ca -0.04 0.53 -0.32 0.00 -2.87 0.00 0.00 58.31 55.61 2dn8 n LYS 52 Cb 0.57 -4.59 -0.14 0.00 -1.84 0.00 0.00 35.03 29.03 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 -1.90 2.38 -0.13 1.97 -1.94 0.34 -5.11 119.30 114.91 2dn8 s MET 53 Ca 0.00 -0.77 -0.21 0.00 -1.71 0.00 0.00 55.69 53.00 2dn8 s MET 53 Cb 0.00 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.53 2dn8 s MET 53 CO 0.00 0.60 0.61 0.42 -0.01 0.00 0.00 175.02 176.65 2dn8 s ILE 54 N -0.70 5.07 -0.00 2.53 -1.09 -1.26 0.93 121.20 126.68 2dn8 s ILE 54 Ca 0.11 1.21 0.05 0.00 -2.23 0.00 0.00 60.65 59.79 2dn8 s ILE 54 Cb -0.10 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2dn8 s ILE 54 CO 0.00 0.21 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.43 2dn8 s MET 55 N 1.21 1.36 0.40 2.79 -2.45 0.42 -4.96 119.30 118.07 2dn8 s MET 55 Ca 0.31 -0.66 -0.23 0.00 -1.25 0.00 0.00 55.69 53.86 2dn8 s MET 55 Cb -0.16 -1.34 -0.10 0.00 1.25 0.00 0.00 34.83 34.48 2dn8 s MET 55 CO 0.13 0.36 0.97 0.99 1.05 0.00 0.00 175.02 178.52 2dn8 s THR 56 N -0.48 4.21 -0.24 10.11 2.01 -1.26 0.12 115.64 130.11 2dn8 s THR 56 Ca 0.06 1.54 -0.03 0.00 0.31 0.00 0.00 61.69 63.57 2dn8 s THR 56 Cb -0.07 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2dn8 s THR 56 CO -0.00 -0.14 -0.04 -0.76 -0.69 0.00 0.00 174.62 172.99 2dn8 s LEU 57 N -2.81 3.09 0.37 4.42 1.43 0.48 -4.82 118.68 120.84 2dn8 s LEU 57 Ca 0.58 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2dn8 s LEU 57 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2dn8 s LEU 57 CO 0.18 -0.08 0.31 0.54 0.23 0.00 0.00 176.35 177.53 2dn8 s ASN 58 N 1.42 5.14 0.05 2.29 2.20 -1.25 -0.64 114.94 124.15 2dn8 s ASN 58 Ca 0.03 -0.61 -0.18 0.00 -0.94 0.00 0.00 52.86 51.16 2dn8 s ASN 58 Cb -0.15 -0.80 -0.06 0.00 -2.00 0.00 0.00 41.25 38.23 2dn8 s ASN 58 CO -0.03 -0.46 0.52 0.68 -2.94 0.00 0.00 177.10 174.87 2dn8 s VAL 59 N -2.38 4.83 0.28 3.54 -7.23 -1.19 -4.88 120.40 113.37 2dn8 s VAL 59 Ca 0.43 1.11 0.22 0.00 -1.81 0.00 0.00 61.98 61.93 2dn8 s VAL 59 Cb -0.04 -3.84 0.21 0.00 0.56 0.00 0.00 36.38 33.26 2dn8 s VAL 59 CO 0.27 0.56 1.90 1.56 -0.31 0.00 0.00 175.10 179.07 2dn8 h GLN 60 N 4.62 0.00 -1.96 4.82 4.20 -1.95 -3.23 115.11 121.62 2dn8 h GLN 60 Ca -0.50 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.19 2dn8 h GLN 60 Cb 1.22 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.78 2dn8 h GLN 60 CO 0.63 0.24 0.15 -1.21 -0.67 0.00 0.00 178.83 177.97 2dn8 s GLU 61 N -3.93 0.79 0.34 1.46 2.02 -1.26 -4.89 118.70 113.23 2dn8 s GLU 61 Ca -0.01 0.99 -0.18 0.00 0.02 0.00 0.00 54.97 55.79 2dn8 s GLU 61 Cb 0.12 0.36 -0.13 0.00 0.10 0.00 0.00 34.13 34.59 2dn8 s GLU 61 CO 0.64 -0.10 0.06 2.89 0.02 0.00 0.00 175.26 178.77 2dn8 n ARG 62 N 2.83 0.00 -3.92 1.61 1.85 -1.26 -4.73 116.66 113.04 2dn8 n ARG 62 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 2dn8 n ARG 62 Cb 0.56 -0.83 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 1.96 -0.88 3.31 2.89 0.00 -1.25 -4.68 105.19 106.54 2dn8 n GLY 63 Ca 0.09 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.84 3.36 -0.03 1.61 0.52 -0.10 -3.01 118.95 119.46 2dn8 s ARG 64 Ca 0.00 -0.65 -0.25 0.00 -0.52 0.00 0.00 55.73 54.31 2dn8 s ARG 64 Cb 0.00 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 2dn8 s ARG 64 CO 0.00 -0.09 0.75 0.08 0.02 0.00 0.00 175.30 176.06 2dn8 s VAL 65 N 1.17 4.94 0.28 3.52 1.01 0.73 -0.64 120.40 131.41 2dn8 s VAL 65 Ca 0.02 1.56 0.09 0.00 0.00 0.00 0.00 61.98 63.66 2dn8 s VAL 65 Cb -0.14 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2dn8 s VAL 65 CO -0.02 0.27 -0.14 -0.75 0.00 0.00 0.00 175.10 174.47 2dn8 s LYS 66 N 0.58 1.61 -0.20 2.72 2.20 -1.03 -1.94 119.74 123.68 2dn8 s LYS 66 Ca 0.39 -1.77 -0.24 0.00 -0.36 0.00 0.00 55.97 53.99 2dn8 s LYS 66 Cb -0.19 -1.48 -0.01 0.00 -1.51 0.00 0.00 37.83 34.63 2dn8 s LYS 66 CO 0.21 0.20 0.80 -0.47 -0.36 0.00 0.00 175.35 175.73 2dn8 s TYR 67 N -2.74 3.38 0.00 4.03 5.04 -1.26 -3.44 117.35 122.36 2dn8 s TYR 67 Ca 0.29 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 2dn8 s TYR 67 Cb -0.01 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 39.31 2dn8 s TYR 67 CO 0.13 -0.28 0.00 -0.89 -1.34 0.00 0.00 175.55 173.17 2dn8 n ILE 68 N 4.89 0.00 -2.88 3.14 2.08 -1.26 -4.92 119.36 120.41 2dn8 n ILE 68 Ca 0.04 0.01 -0.40 0.00 0.56 0.00 0.00 62.75 62.96 2dn8 n ILE 68 Cb 0.48 -0.71 -0.05 0.00 -0.75 0.00 0.00 39.64 38.62 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 -0.33 4.57 0.68 0.38 -0.14 -1.00 -5.02 119.74 118.88 2dn8 s LYS 69 Ca 0.00 1.21 -0.17 0.00 -1.36 0.00 0.00 55.97 55.66 2dn8 s LYS 69 Cb 0.00 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.75 2dn8 s LYS 69 CO 0.00 0.24 0.85 0.54 -0.76 0.00 0.00 175.35 176.23 2dn8 n ARG 70 N 2.85 0.57 -2.48 1.68 1.74 -1.26 -4.92 116.66 114.84 2dn8 n ARG 70 Ca -0.00 0.24 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 2dn8 n ARG 70 Cb 0.50 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.00 4.54 0.00 5.56 0.04 -1.26 -3.44 135.00 137.44 2dn8 s PRO 71 Ca 0.72 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2dn8 s PRO 71 Cb -0.37 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2dn8 s PRO 71 CO 0.51 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.92 2dn8 n GLY 72 N 2.39 1.11 3.96 0.56 0.00 -0.91 -4.85 105.19 107.46 2dn8 n GLY 72 Ca 0.05 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 3.06 -0.52 4.61 0.00 -1.22 -4.80 121.76 120.89 2dn8 s ALA 73 Ca 0.00 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.37 2dn8 s ALA 73 Cb 0.00 -2.39 0.07 0.00 0.00 0.00 0.00 23.12 20.79 2dn8 s ALA 73 CO 0.00 -1.80 0.63 0.54 0.00 0.00 0.00 175.76 175.14 2dn8 s VAL 74 N -3.44 4.87 0.30 0.00 0.11 -1.26 -1.91 120.40 119.07 2dn8 s VAL 74 Ca 0.68 -0.58 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 2dn8 s VAL 74 Cb -0.06 -4.33 -0.10 0.00 -1.53 0.00 0.00 36.38 30.37 2dn8 s VAL 74 CO 0.48 -0.85 1.17 -0.76 -3.33 0.00 0.00 175.10 171.80 2dn8 s LEU 75 N 2.62 4.51 0.05 2.54 2.01 -0.72 -4.91 118.68 124.79 2dn8 s LEU 75 Ca 0.14 2.41 0.01 0.00 0.01 0.00 0.00 54.13 56.70 2dn8 s LEU 75 Cb -0.20 -3.64 -0.03 0.00 0.01 0.00 0.00 46.19 42.33 2dn8 s LEU 75 CO 0.11 -0.28 -0.05 -1.61 1.01 0.00 0.00 176.35 175.53 2dn8 s GLU 76 N -1.57 0.58 0.29 1.70 2.02 -1.26 -1.08 118.70 119.38 2dn8 s GLU 76 Ca 0.46 -1.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.14 2dn8 s GLU 76 Cb -0.35 -0.02 -0.10 0.00 0.10 0.00 0.00 34.13 33.76 2dn8 s GLU 76 CO 0.45 -0.04 1.41 0.00 0.02 0.00 0.00 175.26 177.10 2dn8 s ALA 77 N -2.76 3.58 -1.12 5.21 0.00 -1.26 -3.16 121.76 122.25 2dn8 s ALA 77 Ca -0.01 1.35 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 2dn8 s ALA 77 Cb -0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2dn8 s ALA 77 CO -0.05 -0.77 0.85 0.41 0.00 0.00 0.00 175.76 176.21 2dn8 n GLY 78 N 1.52 -0.95 3.41 0.00 0.00 -0.90 -4.94 105.19 103.34 2dn8 n GLY 78 Ca 0.04 0.46 -0.22 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.41 5.31 0.06 0.00 0.11 -1.26 -0.95 120.40 120.26 2dn8 s VAL 80 Ca 0.31 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 2dn8 s VAL 80 Cb 0.04 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2dn8 s VAL 80 CO 0.17 0.60 0.00 0.52 -3.33 0.00 0.00 175.10 173.06 2dn8 n VAL 81 N 1.97 0.62 -4.21 2.04 0.31 -0.88 -4.88 118.33 113.31 2dn8 n VAL 81 Ca -0.17 0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 2dn8 n VAL 81 Cb 0.54 -1.25 -0.05 0.00 -0.91 0.00 0.00 33.84 32.16 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 -3.03 0.49 -2.70 3.52 0.00 -1.22 -2.37 120.51 115.19 2dn8 n ALA 82 Ca 0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 53.44 51.82 2dn8 n ALA 82 Cb 0.00 1.08 -0.07 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 -2.94 2.56 -0.30 0.00 1.81 -1.22 -2.16 118.95 116.69 2dn8 s ARG 83 Ca 0.26 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.33 2dn8 s ARG 83 Cb 0.01 -2.47 0.08 0.00 -0.45 0.00 0.00 34.95 32.12 2dn8 s ARG 83 CO 0.19 0.49 -0.02 -1.17 -0.68 0.00 0.00 175.30 174.10 2dn8 s LEU 84 N -2.80 4.12 -0.81 2.53 0.20 -1.22 -2.47 118.68 118.22 2dn8 s LEU 84 Ca 0.28 -1.81 -0.16 0.00 0.69 0.00 0.00 54.13 53.13 2dn8 s LEU 84 Cb -0.10 -1.57 0.17 0.00 -0.43 0.00 0.00 46.19 44.26 2dn8 s LEU 84 CO 0.20 -0.30 0.86 -1.61 -0.29 0.00 0.00 176.35 175.21 2dn8 s GLU 85 N 1.01 3.50 0.21 1.98 2.02 0.19 -4.46 118.70 123.14 2dn8 s GLU 85 Ca 0.02 -2.06 -0.31 0.00 0.02 0.00 0.00 54.97 52.64 2dn8 s GLU 85 Cb -0.19 -4.55 -0.15 0.00 0.10 0.00 0.00 34.13 29.34 2dn8 s GLU 85 CO -0.07 -1.47 1.16 1.28 0.02 0.00 0.00 175.26 176.18 2dn8 n LEU 86 N 5.14 1.83 -1.91 1.80 4.77 -1.26 -0.93 117.00 126.44 2dn8 n LEU 86 Ca 0.12 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 57.07 2dn8 n LEU 86 Cb 0.47 -1.27 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2dn8 n LEU 86 CO 0.43 -1.20 1.17 -0.90 -1.33 0.00 0.00 177.39 175.56 2dn8 n ASP 87 N 1.85 5.53 0.00 -1.43 5.75 -1.26 -4.44 116.55 122.55 2dn8 n ASP 87 Ca 0.13 -3.15 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 2dn8 n ASP 87 Cb 0.27 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 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 -0.19 0.00 -4.17 -1.12 9.92 -1.26 -5.11 116.55 114.62 2dn8 n ASP 88 Ca 0.38 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.34 2dn8 n ASP 88 Cb 0.84 0.00 0.19 0.00 -0.64 0.00 0.00 41.12 41.51 2dn8 n ASP 88 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2dn8 s PRO 89 N 0.00 0.08 -0.51 -0.24 0.04 -1.26 -5.05 135.00 128.06 2dn8 s PRO 89 Ca 0.00 -0.12 0.04 0.00 0.04 0.00 0.00 61.00 60.96 2dn8 s PRO 89 Cb 0.00 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 32.95 2dn8 s PRO 89 CO 0.00 -2.83 0.36 0.45 0.04 0.00 0.00 177.00 175.01 2dn8 s SER 90 N -4.32 3.18 -0.71 6.66 0.15 -1.26 -4.97 113.70 112.43 2dn8 s SER 90 Ca 0.70 -3.18 0.03 0.00 0.70 0.00 0.00 55.95 54.20 2dn8 s SER 90 Cb -0.09 -0.99 0.34 0.00 -1.71 0.00 0.00 66.02 63.58 2dn8 s SER 90 CO 0.54 -0.17 1.24 2.29 1.20 0.00 0.00 173.24 178.34 2dn8 n LYS 91 N 2.78 3.88 -4.66 5.44 0.00 -1.26 -5.02 118.16 119.33 2dn8 n LYS 91 Ca 0.20 -4.75 -0.30 0.00 -0.00 0.00 0.00 58.31 53.46 2dn8 n LYS 91 Cb 0.40 -2.31 -0.13 0.00 -0.00 0.00 0.00 35.03 32.99 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 -4.52 2.59 -0.47 0.58 0.11 -1.26 -5.09 120.40 112.33 2dn8 s VAL 92 Ca 0.46 -1.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2dn8 s VAL 92 Cb 0.27 -2.09 0.13 0.00 -1.53 0.00 0.00 36.38 33.16 2dn8 s VAL 92 CO -0.15 0.30 0.23 -2.28 -3.33 0.00 0.00 175.10 169.87 2dn8 s HIS 93 N -0.93 2.72 0.00 1.54 2.46 -1.26 -5.10 115.29 114.72 2dn8 s HIS 93 Ca 0.14 -2.84 0.00 0.00 0.47 0.00 0.00 55.06 52.83 2dn8 s HIS 93 Cb -0.10 -2.44 0.00 0.00 -0.13 0.00 0.00 32.58 29.90 2dn8 s HIS 93 CO 0.05 -0.77 0.00 -0.35 -2.47 0.00 0.00 174.74 171.20 2dn8 n PRO 94 N 3.40 0.56 -3.26 2.88 -0.04 -1.26 -5.06 135.00 132.23 2dn8 n PRO 94 Ca 0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 2dn8 n PRO 94 Cb 0.34 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.72 2dn8 n PRO 94 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn8 n SER 95 N -0.87 -0.66 0.00 3.54 3.41 -1.26 -5.11 113.62 112.67 2dn8 n SER 95 Ca 0.00 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2dn8 n SER 95 Cb 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2dn8 n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn8 n GLY 96 N 2.44 0.55 2.74 5.00 0.00 -1.26 -4.77 105.19 109.89 2dn8 n GLY 96 Ca 0.26 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2dn8 n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dn8 n PRO 97 N 0.00 2.41 -1.84 1.61 -0.04 -1.26 -4.93 135.00 130.95 2dn8 n PRO 97 Ca 0.00 -2.04 -0.40 0.00 -0.04 0.00 0.00 63.50 61.02 2dn8 n PRO 97 Cb 0.00 -2.90 0.01 0.00 -0.04 0.00 0.00 33.50 30.57 2dn8 n PRO 97 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dn8 s SER 98 N 3.63 6.10 -0.19 3.54 0.01 -1.26 -5.00 113.70 120.53 2dn8 s SER 98 Ca 0.53 2.92 -0.31 0.00 1.31 0.00 0.00 55.95 60.40 2dn8 s SER 98 Cb 0.14 -2.66 0.15 0.00 0.21 0.00 0.00 66.02 63.86 2dn8 s SER 98 CO -0.01 -1.02 1.15 -0.94 0.41 0.00 0.00 173.24 172.83 2dn8 s SER 99 N -0.42 -0.22 0.00 2.44 1.04 -1.26 -5.25 113.70 110.03 2dn8 s SER 99 Ca 0.57 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2dn8 s SER 99 Cb -0.44 0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2dn8 s SER 99 CO 0.57 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.16