#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 2.49 0.26 1.61 1.04 -1.26 -5.12 113.70 112.72 2dn8 s SER 2 Ca 0.00 -0.76 -0.29 0.00 0.48 0.00 0.00 55.95 55.37 2dn8 s SER 2 Cb 0.00 -0.13 -0.09 0.00 0.10 0.00 0.00 66.02 65.89 2dn8 s SER 2 CO 0.00 -0.01 1.25 -0.44 0.98 0.00 0.00 173.24 175.02 2dn8 s SER 3 N -2.25 6.95 0.00 7.02 0.01 -1.26 -5.01 113.70 119.17 2dn8 s SER 3 Ca 0.10 2.46 0.00 0.00 1.31 0.00 0.00 55.95 59.82 2dn8 s SER 3 Cb -0.08 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dn8 s SER 3 CO 0.05 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2dn8 n GLY 4 N 1.54 4.64 2.92 3.44 0.00 -1.26 -5.16 105.19 111.31 2dn8 n GLY 4 Ca 0.02 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn8 s SER 5 N 0.37 0.63 -0.30 1.61 0.15 -1.26 -5.11 113.70 109.79 2dn8 s SER 5 Ca 0.00 0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.84 2dn8 s SER 5 Cb 0.00 0.70 0.18 0.00 -1.71 0.00 0.00 66.02 65.19 2dn8 s SER 5 CO 0.00 -0.28 0.98 -0.55 1.20 0.00 0.00 173.24 174.60 2dn8 s SER 6 N 2.42 -0.60 0.13 5.45 0.15 -1.26 -5.12 113.70 114.87 2dn8 s SER 6 Ca 0.05 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dn8 s SER 6 Cb -0.14 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2dn8 s SER 6 CO -0.11 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2dn8 n GLY 7 N 5.41 -4.35 0.00 9.45 0.00 -1.26 -4.97 105.19 109.47 2dn8 n GLY 7 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2dn8 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dn8 n THR 8 N 0.55 0.48 -2.74 2.61 5.66 -1.26 -4.85 114.28 114.73 2dn8 n THR 8 Ca 0.00 -0.65 -0.05 0.00 -3.05 0.00 0.00 64.05 60.29 2dn8 n THR 8 Cb 0.00 0.83 0.03 0.00 -1.55 0.00 0.00 70.33 69.65 2dn8 n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dn8 s VAL 10 N 0.75 -0.32 -0.08 0.00 0.11 -1.26 -5.01 120.40 114.58 2dn8 s VAL 10 Ca 0.30 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 2dn8 s VAL 10 Cb 0.12 -0.61 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2dn8 s VAL 10 CO -0.13 0.06 0.10 0.33 -3.33 0.00 0.00 175.10 172.13 2dn8 n PHE 11 N 4.84 -0.61 -3.59 1.54 -0.00 -1.26 -4.90 117.46 113.47 2dn8 n PHE 11 Ca -0.16 0.26 -0.40 0.00 -0.00 0.00 0.00 57.45 57.16 2dn8 n PHE 11 Cb 0.52 -1.28 -0.08 0.00 -0.00 0.00 0.00 39.48 38.64 2dn8 n PHE 11 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2dn8 s GLU 12 N -1.25 2.61 -0.40 -4.13 2.12 -1.26 -4.93 118.70 111.46 2dn8 s GLU 12 Ca 0.06 -2.09 0.07 0.00 0.36 0.00 0.00 54.97 53.37 2dn8 s GLU 12 Cb -0.01 -3.91 0.24 0.00 0.26 0.00 0.00 34.13 30.72 2dn8 s GLU 12 CO 0.17 -1.19 0.54 1.63 -0.54 0.00 0.00 175.26 175.87 2dn8 n LYS 13 N 4.34 0.67 -4.24 4.30 4.01 -1.26 -5.12 118.16 120.86 2dn8 n LYS 13 Ca 0.00 -3.06 -0.23 0.00 -0.51 0.00 0.00 58.31 54.52 2dn8 n LYS 13 Cb 0.41 -1.28 -0.07 0.00 -0.51 0.00 0.00 35.03 33.59 2dn8 n LYS 13 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2dn8 s GLU 14 N -0.87 2.39 -0.08 1.97 2.02 -1.26 -5.14 118.70 117.73 2dn8 s GLU 14 Ca 0.34 -1.39 -0.17 0.00 0.02 0.00 0.00 54.97 53.77 2dn8 s GLU 14 Cb 0.16 -2.22 0.04 0.00 0.10 0.00 0.00 34.13 32.21 2dn8 s GLU 14 CO -0.13 0.33 0.41 0.54 0.02 0.00 0.00 175.26 176.43 2dn8 s ASN 15 N -3.72 -0.35 -0.29 -0.19 2.20 -1.26 -5.16 114.94 106.16 2dn8 s ASN 15 Ca 0.33 0.47 -0.18 0.00 -0.94 0.00 0.00 52.86 52.53 2dn8 s ASN 15 Cb -0.06 0.56 0.18 0.00 -2.00 0.00 0.00 41.25 39.93 2dn8 s ASN 15 CO 0.21 -0.35 1.18 -1.81 -2.94 0.00 0.00 177.10 173.38 2dn8 s ASP 16 N -0.71 -0.24 0.45 3.54 1.11 -1.26 -5.02 116.67 114.53 2dn8 s ASP 16 Ca -0.08 0.41 0.25 0.00 0.18 0.00 0.00 52.55 53.31 2dn8 s ASP 16 Cb -0.04 0.91 0.75 0.00 1.07 0.00 0.00 42.92 45.61 2dn8 s ASP 16 CO 0.04 -0.07 1.75 1.55 1.18 0.00 0.00 175.17 179.62 2dn8 h PRO 17 N 4.99 0.00 -0.21 8.23 0.13 -2.02 -3.18 132.00 139.94 2dn8 h PRO 17 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 2dn8 h PRO 17 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2dn8 h PRO 17 CO 0.20 0.13 -0.06 1.79 -0.23 0.00 0.00 178.00 179.84 2dn8 h THR 18 N 0.00 1.29 -3.45 1.56 1.35 -1.96 -3.41 112.91 108.28 2dn8 h THR 18 Ca -0.00 -1.05 -0.61 0.00 -0.55 0.00 0.00 66.41 64.20 2dn8 h THR 18 Cb 0.85 1.55 -0.11 0.00 -1.73 0.00 0.00 68.15 68.71 2dn8 h THR 18 CO 0.02 0.32 0.34 0.54 -0.25 0.00 0.00 175.52 176.49 2dn8 s VAL 19 N -4.74 4.83 -0.64 6.82 0.11 -1.20 0.16 120.40 125.74 2dn8 s VAL 19 Ca -0.14 1.13 -0.27 0.00 -2.93 0.00 0.00 61.98 59.77 2dn8 s VAL 19 Cb 0.07 -4.11 0.01 0.00 -1.53 0.00 0.00 36.38 30.82 2dn8 s VAL 19 CO 0.75 -0.21 1.46 -0.76 -3.33 0.00 0.00 175.10 173.01 2dn8 s LEU 20 N 2.87 3.28 -0.06 2.54 1.43 0.02 -4.72 118.68 124.03 2dn8 s LEU 20 Ca 0.31 0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.24 2dn8 s LEU 20 Cb -0.14 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2dn8 s LEU 20 CO 0.12 -1.92 0.46 -0.13 0.23 0.00 0.00 176.35 175.12 2dn8 s ARG 21 N 5.95 4.19 0.23 1.70 0.52 -1.26 -1.44 118.95 128.84 2dn8 s ARG 21 Ca 0.49 0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 55.85 2dn8 s ARG 21 Cb -0.10 -3.34 -0.12 0.00 0.52 0.00 0.00 34.95 31.91 2dn8 s ARG 21 CO 0.20 0.39 1.70 0.45 0.02 0.00 0.00 175.30 178.06 2dn8 s SER 22 N -0.15 6.37 0.29 0.23 0.15 0.52 -4.87 113.70 116.25 2dn8 s SER 22 Ca 0.25 2.90 0.14 0.00 0.70 0.00 0.00 55.95 59.94 2dn8 s SER 22 Cb -0.16 -2.61 0.33 0.00 -1.71 0.00 0.00 66.02 61.87 2dn8 s SER 22 CO 0.12 -0.96 1.57 1.55 1.20 0.00 0.00 173.24 176.72 2dn8 h PRO 23 N 6.32 0.00 -2.64 5.44 0.13 -1.91 -2.69 132.00 136.66 2dn8 h PRO 23 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2dn8 h PRO 23 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2dn8 h PRO 23 CO 0.92 0.57 0.36 0.45 -0.23 0.00 0.00 178.00 180.06 2dn8 s SER 24 N -6.59 -0.38 1.34 1.44 0.15 -1.26 -4.65 113.70 103.75 2dn8 s SER 24 Ca 0.01 -0.17 -0.20 0.00 0.70 0.00 0.00 55.95 56.28 2dn8 s SER 24 Cb 0.11 0.53 0.33 0.00 -1.71 0.00 0.00 66.02 65.27 2dn8 s SER 24 CO 0.74 -0.90 0.78 0.00 1.20 0.00 0.00 173.24 175.06 2dn8 n ALA 25 N -0.36 -4.07 0.00 5.45 0.00 -1.26 -4.28 120.51 115.98 2dn8 n ALA 25 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2dn8 n ALA 25 Cb 0.62 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2dn8 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 26 N 1.83 -0.32 3.15 0.00 0.00 0.85 -4.58 105.19 106.12 2dn8 n GLY 26 Ca 0.10 -0.58 0.04 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.97 0.51 0.96 1.61 2.20 0.26 -2.42 119.74 120.89 2dn8 s LYS 27 Ca 0.00 0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.96 2dn8 s LYS 27 Cb 0.00 0.23 -0.11 0.00 -1.51 0.00 0.00 37.83 36.44 2dn8 s LYS 27 CO 0.00 -0.96 -0.48 -0.11 -0.36 0.00 0.00 175.35 173.44 2dn8 n LEU 28 N 5.39 -4.53 0.10 5.43 7.94 -1.14 -1.99 117.00 128.20 2dn8 n LEU 28 Ca 0.05 0.25 0.00 0.00 -1.11 0.00 0.00 56.01 55.20 2dn8 n LEU 28 Cb 0.54 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2dn8 n LEU 28 CO -0.07 -5.41 0.00 0.35 -1.11 0.00 0.00 177.39 171.15 2dn8 n THR 29 N -2.68 0.40 -3.59 1.96 -2.24 -1.23 -4.28 114.28 102.62 2dn8 n THR 29 Ca 0.01 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2dn8 n THR 29 Cb 0.55 -0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.89 0.09 0.46 -0.78 -2.07 -1.26 -4.54 119.66 109.66 2dn8 s GLN 30 Ca 0.00 -0.04 -0.02 0.00 -1.82 0.00 0.00 55.36 53.48 2dn8 s GLN 30 Cb 0.00 0.03 -0.02 0.00 -1.09 0.00 0.00 33.01 31.94 2dn8 s GLN 30 CO 0.00 -0.04 0.71 0.71 -1.32 0.00 0.00 175.29 175.35 2dn8 s TYR 31 N -2.10 3.37 -0.83 9.60 1.51 -1.26 -2.97 117.35 124.67 2dn8 s TYR 31 Ca 0.14 0.46 0.09 0.00 -1.01 0.00 0.00 57.07 56.75 2dn8 s TYR 31 Cb 0.04 -2.29 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2dn8 s TYR 31 CO -0.05 -0.31 0.59 0.25 -1.11 0.00 0.00 175.55 174.92 2dn8 n THR 32 N -2.14 0.00 -4.43 -0.71 -2.24 0.46 -4.85 114.28 100.36 2dn8 n THR 32 Ca 0.00 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 2dn8 n THR 32 Cb 0.57 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.37 2.31 0.74 2.28 -7.23 -1.21 -4.96 120.40 110.96 2dn8 s VAL 33 Ca 0.07 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 2dn8 s VAL 33 Cb 0.08 -2.85 0.14 0.00 0.56 0.00 0.00 36.38 34.31 2dn8 s VAL 33 CO 0.25 -0.11 1.01 -1.61 -0.31 0.00 0.00 175.10 174.33 2dn8 s GLU 34 N -3.72 1.57 -0.08 4.82 0.41 -1.26 -4.86 118.70 115.58 2dn8 s GLU 34 Ca 0.35 -1.28 -0.40 0.00 -0.41 0.00 0.00 54.97 53.23 2dn8 s GLU 34 Cb 0.04 -2.35 -0.18 0.00 -1.78 0.00 0.00 34.13 29.86 2dn8 s GLU 34 CO 0.19 -1.53 1.34 -3.47 -0.49 0.00 0.00 175.26 171.30 2dn8 n ASP 35 N -2.86 1.13 -3.74 -0.19 2.03 -1.26 0.12 116.55 111.79 2dn8 n ASP 35 Ca 0.17 1.14 -0.29 0.00 0.52 0.00 0.00 54.79 56.33 2dn8 n ASP 35 Cb 0.61 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 2.62 -0.48 3.70 0.27 0.00 -1.12 -4.84 105.19 105.34 2dn8 n GLY 36 Ca 0.22 0.14 -0.43 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 -1.41 1.39 3.55 -0.02 0.00 0.32 -4.58 105.19 104.44 2dn8 n GLY 37 Ca 0.02 0.63 -0.41 0.00 0.00 0.00 0.00 46.02 46.27 2dn8 n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dn8 s HIS 38 N 1.11 3.19 0.40 1.61 -3.43 -1.26 -0.24 115.29 116.67 2dn8 s HIS 38 Ca 0.77 0.05 0.07 0.00 -0.80 0.00 0.00 55.06 55.14 2dn8 s HIS 38 Cb -0.57 -2.82 -0.08 0.00 -1.43 0.00 0.00 32.58 27.69 2dn8 s HIS 38 CO 0.34 -0.51 -0.00 0.14 -2.00 0.00 0.00 174.74 172.71 2dn8 s VAL 39 N 2.22 1.98 0.14 -5.38 -7.23 -0.81 -5.02 120.40 106.30 2dn8 s VAL 39 Ca 0.15 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2dn8 s VAL 39 Cb -0.16 -2.94 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2dn8 s VAL 39 CO 0.13 -0.03 0.16 -1.83 -0.31 0.00 0.00 175.10 173.22 2dn8 s GLU 40 N -3.71 3.04 -0.74 4.82 -1.05 -1.26 -2.82 118.70 116.98 2dn8 s GLU 40 Ca 0.35 -0.75 -0.26 0.00 -0.15 0.00 0.00 54.97 54.16 2dn8 s GLU 40 Cb 0.09 -2.75 -0.10 0.00 -0.44 0.00 0.00 34.13 30.92 2dn8 s GLU 40 CO 0.18 0.52 2.31 0.00 0.95 0.00 0.00 175.26 179.21 2dn8 s ALA 41 N -1.66 1.11 0.00 -0.84 0.00 -1.26 -0.59 121.76 118.51 2dn8 s ALA 41 Ca 0.32 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2dn8 s ALA 41 Cb -0.11 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2dn8 s ALA 41 CO 0.24 -5.36 0.00 0.41 0.00 0.00 0.00 175.76 171.06 2dn8 n GLY 42 N 6.60 0.96 2.01 0.00 0.00 -0.79 -4.89 105.19 109.09 2dn8 n GLY 42 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.49 -4.21 1.61 7.64 0.24 -4.81 113.62 113.61 2dn8 n SER 43 Ca 0.00 -1.13 -0.29 0.00 1.01 0.00 0.00 58.87 58.46 2dn8 n SER 43 Cb 0.00 -0.54 -0.16 0.00 -1.01 0.00 0.00 64.21 62.49 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 -3.44 2.71 -0.00 6.43 1.04 -1.26 -3.07 113.70 116.11 2dn8 s SER 44 Ca 0.40 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.39 2dn8 s SER 44 Cb -0.02 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.27 2dn8 s SER 44 CO 0.29 0.20 0.07 0.00 0.98 0.00 0.00 173.24 174.78 2dn8 n TYR 45 N 3.09 0.00 -3.81 5.02 0.18 -0.53 -4.72 117.16 116.39 2dn8 n TYR 45 Ca -0.18 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.59 2dn8 n TYR 45 Cb 0.52 -0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 n ALA 46 N -1.06 -1.98 -2.82 -3.48 0.00 -1.17 0.17 120.51 110.17 2dn8 n ALA 46 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 2dn8 n ALA 46 Cb 0.03 0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.71 2dn8 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dn8 s GLU 47 N -2.03 1.61 0.16 0.00 2.02 -1.16 0.88 118.70 120.19 2dn8 s GLU 47 Ca 0.17 -1.55 -0.13 0.00 0.02 0.00 0.00 54.97 53.48 2dn8 s GLU 47 Cb -0.01 0.41 0.01 0.00 0.10 0.00 0.00 34.13 34.63 2dn8 s GLU 47 CO 0.02 -0.64 0.37 0.00 0.02 0.00 0.00 175.26 175.03 2dn8 s MET 48 N -3.67 1.18 -0.23 1.61 0.23 0.21 -3.54 119.30 115.09 2dn8 s MET 48 Ca 0.30 -0.99 0.02 0.00 -1.03 0.00 0.00 55.69 53.99 2dn8 s MET 48 Cb 0.01 0.43 0.05 0.00 -1.53 0.00 0.00 34.83 33.79 2dn8 s MET 48 CO 0.15 -0.46 -0.13 -2.00 -2.03 0.00 0.00 175.02 170.54 2dn8 s GLU 49 N -3.90 2.43 -0.01 3.16 2.12 -0.84 0.13 118.70 121.78 2dn8 s GLU 49 Ca 0.11 -1.15 0.02 0.00 0.36 0.00 0.00 54.97 54.31 2dn8 s GLU 49 Cb 0.02 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.66 2dn8 s GLU 49 CO -0.04 -0.45 -0.06 0.54 -0.54 0.00 0.00 175.26 174.71 2dn8 s VAL 50 N 1.19 0.50 -1.46 3.70 0.11 0.37 0.90 120.40 125.70 2dn8 s VAL 50 Ca -0.04 -0.24 -0.05 0.00 -2.93 0.00 0.00 61.98 58.72 2dn8 s VAL 50 Cb -0.18 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2dn8 s VAL 50 CO -0.08 0.16 0.66 0.23 -3.33 0.00 0.00 175.10 172.74 2dn8 n MET 51 N 3.13 -5.10 -1.20 1.54 2.81 -1.26 -0.49 117.12 116.55 2dn8 n MET 51 Ca -0.15 0.86 -0.07 0.00 -1.81 0.00 0.00 57.70 56.53 2dn8 n MET 51 Cb 0.56 -5.66 -0.03 0.00 -0.71 0.00 0.00 33.22 27.39 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 -4.01 -1.21 -4.75 0.03 4.76 -1.26 -4.96 118.16 106.75 2dn8 n LYS 52 Ca -0.09 0.66 -0.28 0.00 -2.87 0.00 0.00 58.31 55.72 2dn8 n LYS 52 Cb 0.61 -4.74 -0.14 0.00 -1.84 0.00 0.00 35.03 28.92 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 -2.26 1.61 -0.24 1.97 -1.94 0.35 -5.12 119.30 113.68 2dn8 s MET 53 Ca 0.00 -1.09 -0.13 0.00 -1.71 0.00 0.00 55.69 52.76 2dn8 s MET 53 Cb 0.00 -1.81 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 2dn8 s MET 53 CO 0.00 0.46 0.26 0.42 -0.01 0.00 0.00 175.02 176.15 2dn8 s ILE 54 N -0.84 5.28 -0.01 2.53 -1.09 -1.26 0.14 121.20 125.95 2dn8 s ILE 54 Ca 0.11 0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.98 2dn8 s ILE 54 Cb -0.10 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2dn8 s ILE 54 CO 0.02 0.28 -0.26 -0.32 -1.23 0.00 0.00 174.94 173.43 2dn8 s MET 55 N 1.38 2.04 0.40 2.79 -2.45 0.35 -4.95 119.30 118.87 2dn8 s MET 55 Ca 0.12 -0.97 -0.22 0.00 -1.25 0.00 0.00 55.69 53.37 2dn8 s MET 55 Cb -0.15 -2.03 -0.11 0.00 1.25 0.00 0.00 34.83 33.80 2dn8 s MET 55 CO 0.07 0.55 0.94 0.99 1.05 0.00 0.00 175.02 178.62 2dn8 s THR 56 N -0.65 4.36 -0.25 10.11 2.01 -1.26 0.64 115.64 130.60 2dn8 s THR 56 Ca 0.10 1.54 -0.04 0.00 0.31 0.00 0.00 61.69 63.61 2dn8 s THR 56 Cb -0.10 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2dn8 s THR 56 CO -0.00 -0.21 -0.02 -0.76 -0.69 0.00 0.00 174.62 172.93 2dn8 s LEU 57 N -2.93 3.27 0.36 4.42 1.43 0.25 -4.84 118.68 120.65 2dn8 s LEU 57 Ca 0.59 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 2dn8 s LEU 57 Cb -0.11 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2dn8 s LEU 57 CO 0.15 -0.11 0.22 0.54 0.23 0.00 0.00 176.35 177.38 2dn8 s ASN 58 N 1.42 4.84 -0.17 2.29 4.22 -1.25 -1.45 114.94 124.83 2dn8 s ASN 58 Ca 0.02 -0.75 -0.12 0.00 -2.14 0.00 0.00 52.86 49.87 2dn8 s ASN 58 Cb -0.16 -0.72 -0.05 0.00 1.28 0.00 0.00 41.25 41.60 2dn8 s ASN 58 CO -0.02 -0.40 0.23 0.68 -2.04 0.00 0.00 177.10 175.55 2dn8 s VAL 59 N -2.43 5.35 0.26 3.54 -7.23 -1.17 -4.93 120.40 113.78 2dn8 s VAL 59 Ca 0.41 0.41 0.03 0.00 -1.81 0.00 0.00 61.98 61.02 2dn8 s VAL 59 Cb -0.02 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.36 2dn8 s VAL 59 CO 0.24 0.41 1.64 1.56 -0.31 0.00 0.00 175.10 178.65 2dn8 h GLN 60 N 6.61 0.37 -3.69 4.82 7.50 -1.93 -2.10 115.11 126.69 2dn8 h GLN 60 Ca -0.42 -0.19 -0.39 0.00 0.50 0.00 0.00 58.65 58.16 2dn8 h GLN 60 Cb 1.16 0.00 -0.36 0.00 0.05 0.00 0.00 27.48 28.33 2dn8 h GLN 60 CO 0.75 0.74 -0.76 -1.21 -1.50 0.00 0.00 178.83 176.85 2dn8 s GLU 61 N -4.13 0.41 0.43 1.46 0.41 -1.26 -4.77 118.70 111.24 2dn8 s GLU 61 Ca -0.06 0.11 -0.14 0.00 -0.41 0.00 0.00 54.97 54.47 2dn8 s GLU 61 Cb 0.13 -0.69 -0.12 0.00 -1.78 0.00 0.00 34.13 31.66 2dn8 s GLU 61 CO 0.80 -0.21 -0.13 2.89 -0.49 0.00 0.00 175.26 178.11 2dn8 n ARG 62 N 4.64 0.00 -3.32 1.61 1.85 -1.26 -4.71 116.66 115.47 2dn8 n ARG 62 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2dn8 n ARG 62 Cb 0.50 -0.80 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 2.06 -0.52 3.16 2.89 0.00 -1.13 -4.45 105.19 107.21 2dn8 n GLY 63 Ca 0.06 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.47 2.98 0.09 1.61 0.52 -1.18 -1.92 118.95 119.58 2dn8 s ARG 64 Ca 0.00 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.12 2dn8 s ARG 64 Cb 0.00 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 2dn8 s ARG 64 CO 0.00 -0.03 0.77 0.08 0.02 0.00 0.00 175.30 176.14 2dn8 s VAL 65 N 0.86 4.60 0.21 3.52 1.01 0.67 -2.18 120.40 129.08 2dn8 s VAL 65 Ca -0.06 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.64 2dn8 s VAL 65 Cb -0.15 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2dn8 s VAL 65 CO -0.03 0.43 -0.10 -0.75 0.00 0.00 0.00 175.10 174.65 2dn8 s LYS 66 N -0.47 1.30 -0.33 2.72 2.36 -0.80 -2.43 119.74 122.10 2dn8 s LYS 66 Ca 0.37 -1.60 -0.21 0.00 -2.55 0.00 0.00 55.97 51.99 2dn8 s LYS 66 Cb -0.21 -0.93 -0.00 0.00 -1.05 0.00 0.00 37.83 35.63 2dn8 s LYS 66 CO 0.24 0.09 0.67 0.71 1.55 0.00 0.00 175.35 178.61 2dn8 s TYR 67 N -3.13 3.18 -0.01 4.03 1.51 -1.26 -3.57 117.35 118.10 2dn8 s TYR 67 Ca 0.23 0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 56.81 2dn8 s TYR 67 Cb 0.02 -3.11 -0.01 0.00 -0.11 0.00 0.00 41.96 38.76 2dn8 s TYR 67 CO 0.06 -0.56 -0.03 -0.89 -1.11 0.00 0.00 175.55 173.02 2dn8 n ILE 68 N 5.51 0.24 -3.17 2.71 2.08 -1.26 -4.95 119.36 120.52 2dn8 n ILE 68 Ca -0.00 0.25 -0.39 0.00 0.56 0.00 0.00 62.75 63.17 2dn8 n ILE 68 Cb 0.49 -1.37 -0.06 0.00 -0.75 0.00 0.00 39.64 37.94 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 -1.25 4.26 0.72 0.38 -0.14 -1.07 -5.03 119.74 117.60 2dn8 s LYS 69 Ca -0.03 0.58 -0.16 0.00 -1.36 0.00 0.00 55.97 55.00 2dn8 s LYS 69 Cb 0.00 -3.53 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 2dn8 s LYS 69 CO 0.04 -0.10 0.58 0.54 -0.76 0.00 0.00 175.35 175.64 2dn8 n ARG 70 N 4.55 0.33 -2.44 1.68 1.74 -1.26 -4.88 116.66 116.37 2dn8 n ARG 70 Ca -0.03 0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2dn8 n ARG 70 Cb 0.50 -1.87 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.80 4.35 0.00 5.56 0.04 -1.26 -3.38 135.00 137.52 2dn8 s PRO 71 Ca 0.66 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2dn8 s PRO 71 Cb -0.35 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2dn8 s PRO 71 CO 0.57 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2dn8 n GLY 72 N 3.37 1.43 3.90 0.56 0.00 -1.26 -5.02 105.19 108.17 2dn8 n GLY 72 Ca 0.11 0.00 -0.28 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 3.08 -0.46 4.61 0.00 -1.22 -4.94 121.76 120.83 2dn8 s ALA 73 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 2dn8 s ALA 73 Cb 0.00 -2.81 0.03 0.00 0.00 0.00 0.00 23.12 20.34 2dn8 s ALA 73 CO 0.00 -1.02 0.68 0.54 0.00 0.00 0.00 175.76 175.96 2dn8 s VAL 74 N -3.20 4.78 0.17 0.00 0.11 -1.26 -2.87 120.40 118.12 2dn8 s VAL 74 Ca 0.57 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.34 2dn8 s VAL 74 Cb -0.11 -4.27 -0.08 0.00 -1.53 0.00 0.00 36.38 30.39 2dn8 s VAL 74 CO 0.48 -0.70 1.32 -0.76 -3.33 0.00 0.00 175.10 172.11 2dn8 s LEU 75 N 2.93 4.40 0.08 2.54 2.01 -1.01 -4.92 118.68 124.71 2dn8 s LEU 75 Ca 0.22 2.35 0.04 0.00 0.01 0.00 0.00 54.13 56.75 2dn8 s LEU 75 Cb -0.15 -3.60 -0.03 0.00 0.01 0.00 0.00 46.19 42.42 2dn8 s LEU 75 CO 0.18 -0.55 -0.12 -1.61 1.01 0.00 0.00 176.35 175.26 2dn8 s GLU 76 N 0.30 0.81 0.37 1.70 2.02 -1.26 -0.10 118.70 122.54 2dn8 s GLU 76 Ca 0.59 -1.05 -0.28 0.00 0.02 0.00 0.00 54.97 54.25 2dn8 s GLU 76 Cb -0.36 -0.63 -0.11 0.00 0.10 0.00 0.00 34.13 33.13 2dn8 s GLU 76 CO 0.35 0.12 1.51 0.00 0.02 0.00 0.00 175.26 177.26 2dn8 s ALA 77 N -1.89 3.59 -1.05 5.21 0.00 -1.26 -3.05 121.76 123.31 2dn8 s ALA 77 Ca 0.01 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.43 2dn8 s ALA 77 Cb -0.06 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2dn8 s ALA 77 CO 0.01 -1.07 0.81 0.41 0.00 0.00 0.00 175.76 175.92 2dn8 n GLY 78 N 0.60 -1.09 2.07 0.00 0.00 -1.01 -4.90 105.19 100.86 2dn8 n GLY 78 Ca 0.02 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.66 4.81 0.03 0.00 0.11 -1.26 -0.35 120.40 121.07 2dn8 s VAL 80 Ca 0.18 -0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.17 2dn8 s VAL 80 Cb 0.01 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 31.77 2dn8 s VAL 80 CO 0.13 0.57 -0.02 0.52 -3.33 0.00 0.00 175.10 172.97 2dn8 n VAL 81 N 2.49 0.57 -4.14 2.04 0.31 -0.52 -4.82 118.33 114.27 2dn8 n VAL 81 Ca -0.18 0.21 -0.16 0.00 -0.01 0.00 0.00 64.34 64.19 2dn8 n VAL 81 Cb 0.54 -1.35 -0.05 0.00 -0.91 0.00 0.00 33.84 32.07 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 -3.01 0.11 -2.53 3.52 0.00 -1.22 -2.61 120.51 114.78 2dn8 n ALA 82 Ca -0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 53.44 51.46 2dn8 n ALA 82 Cb 0.03 1.35 -0.11 0.00 0.00 0.00 0.00 19.45 20.72 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 -2.98 1.99 -0.19 0.00 1.81 -1.23 -0.80 118.95 117.54 2dn8 s ARG 83 Ca 0.32 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 53.26 2dn8 s ARG 83 Cb 0.00 -2.22 0.04 0.00 -0.45 0.00 0.00 34.95 32.33 2dn8 s ARG 83 CO 0.23 0.50 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.76 2dn8 s LEU 84 N -2.06 2.02 -0.72 2.53 1.43 0.43 -1.90 118.68 120.40 2dn8 s LEU 84 Ca 0.19 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.30 2dn8 s LEU 84 Cb -0.11 -1.11 0.12 0.00 0.03 0.00 0.00 46.19 45.13 2dn8 s LEU 84 CO 0.11 -0.16 0.86 -0.70 0.23 0.00 0.00 176.35 176.69 2dn8 s GLU 85 N 1.49 3.28 -0.21 1.70 2.12 -0.93 -4.39 118.70 121.76 2dn8 s GLU 85 Ca -0.00 -1.53 -0.41 0.00 0.36 0.00 0.00 54.97 53.38 2dn8 s GLU 85 Cb -0.16 -4.46 -0.18 0.00 0.26 0.00 0.00 34.13 29.59 2dn8 s GLU 85 CO -0.08 -1.61 1.49 1.28 -0.54 0.00 0.00 175.26 175.80 2dn8 n LEU 86 N 6.25 1.44 -0.10 2.70 4.77 -1.26 -3.12 117.00 127.69 2dn8 n LEU 86 Ca 0.03 1.13 0.13 0.00 -0.03 0.00 0.00 56.01 57.27 2dn8 n LEU 86 Cb 0.45 -1.04 0.37 0.00 -2.33 0.00 0.00 43.42 40.87 2dn8 n LEU 86 CO 0.53 -0.96 0.61 -0.90 -1.33 0.00 0.00 177.39 175.35 2dn8 n ASP 87 N 3.65 0.63 -3.20 -1.43 5.75 -1.26 -4.26 116.55 116.42 2dn8 n ASP 87 Ca 0.25 -0.44 -0.24 0.00 -0.01 0.00 0.00 54.79 54.35 2dn8 n ASP 87 Cb 0.08 0.11 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dn8 n ASP 88 N -1.15 0.36 -2.03 -1.12 2.03 -1.26 -4.98 116.55 108.39 2dn8 n ASP 88 Ca 0.09 -2.73 -0.07 0.00 0.52 0.00 0.00 54.79 52.59 2dn8 n ASP 88 Cb 0.33 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.99 2dn8 n ASP 88 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2dn8 n PRO 89 N 1.36 1.35 -3.65 -0.67 -0.04 -1.26 -4.64 135.00 127.46 2dn8 n PRO 89 Ca 0.22 -0.61 -0.06 0.00 -0.04 0.00 0.00 63.50 63.01 2dn8 n PRO 89 Cb 0.53 -1.73 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.92 -0.63 3.54 0.15 -1.26 -5.10 113.70 111.68 2dn8 s SER 90 Ca 0.41 1.45 0.02 0.00 0.70 0.00 0.00 55.95 58.52 2dn8 s SER 90 Cb 0.19 1.49 0.16 0.00 -1.71 0.00 0.00 66.02 66.15 2dn8 s SER 90 CO 0.00 -0.23 0.42 -0.54 1.20 0.00 0.00 173.24 174.09 2dn8 s LYS 91 N 1.86 2.40 0.39 5.44 1.02 -1.26 -5.06 119.74 124.53 2dn8 s LYS 91 Ca -0.09 -2.83 0.04 0.00 0.02 0.00 0.00 55.97 53.12 2dn8 s LYS 91 Cb -0.07 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.65 2dn8 s LYS 91 CO -0.19 -1.18 0.04 0.54 -0.92 0.00 0.00 175.35 173.64 2dn8 s VAL 92 N -0.59 1.39 -0.44 3.17 0.11 -1.26 -5.11 120.40 117.67 2dn8 s VAL 92 Ca 0.20 -2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 57.18 2dn8 s VAL 92 Cb -0.18 -2.72 0.11 0.00 -1.53 0.00 0.00 36.38 32.06 2dn8 s VAL 92 CO -0.06 0.00 0.28 -1.38 -3.33 0.00 0.00 175.10 170.61 2dn8 s HIS 93 N -3.02 3.49 1.04 1.54 -3.43 -1.26 -5.08 115.29 108.56 2dn8 s HIS 93 Ca 0.30 -2.09 -0.16 0.00 -0.80 0.00 0.00 55.06 52.31 2dn8 s HIS 93 Cb 0.07 -3.35 0.22 0.00 -1.43 0.00 0.00 32.58 28.10 2dn8 s HIS 93 CO 0.14 -0.98 1.20 -1.25 -2.00 0.00 0.00 174.74 171.86 2dn8 s PRO 94 N 1.27 0.05 -0.19 -0.38 0.04 -1.26 -5.07 135.00 129.46 2dn8 s PRO 94 Ca 0.07 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 60.94 2dn8 s PRO 94 Cb -0.25 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2dn8 s PRO 94 CO -0.02 -2.85 0.05 -1.12 0.04 0.00 0.00 177.00 173.09 2dn8 s SER 95 N -4.34 2.80 -0.25 6.66 0.01 -1.26 -5.12 113.70 112.21 2dn8 s SER 95 Ca 0.71 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 57.10 2dn8 s SER 95 Cb -0.08 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2dn8 s SER 95 CO 0.54 -0.32 0.08 -0.83 0.41 0.00 0.00 173.24 173.13 2dn8 s GLY 96 N 1.92 1.79 0.78 3.44 0.00 -1.26 -5.09 107.32 108.89 2dn8 s GLY 96 Ca -0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 2dn8 s GLY 96 CO -0.08 0.52 1.09 2.56 0.00 0.00 0.00 173.10 177.18 2dn8 s PRO 97 N 1.55 2.24 0.43 2.90 0.04 -1.26 -5.08 135.00 135.82 2dn8 s PRO 97 Ca 0.06 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.86 2dn8 s PRO 97 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2dn8 s PRO 97 CO 0.04 -1.52 0.22 0.45 0.04 0.00 0.00 177.00 176.23 2dn8 s SER 98 N -3.89 4.52 0.18 6.66 0.15 -1.26 -5.15 113.70 114.90 2dn8 s SER 98 Ca 0.60 -1.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.17 2dn8 s SER 98 Cb -0.14 -0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 63.77 2dn8 s SER 98 CO 0.54 -0.63 0.07 -0.94 1.20 0.00 0.00 173.24 173.48 2dn8 s SER 99 N -3.97 0.60 0.00 5.45 1.04 -1.26 -5.36 113.70 110.19 2dn8 s SER 99 Ca 0.40 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2dn8 s SER 99 Cb 0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2dn8 s SER 99 CO 0.22 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.33