#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 -6.87 -3.62 1.61 7.64 -1.26 -5.10 113.62 106.03 2dn8 n SER 2 Ca 0.00 0.93 -0.04 0.00 1.01 0.00 0.00 58.87 60.77 2dn8 n SER 2 Cb 0.00 -3.30 -0.04 0.00 -1.01 0.00 0.00 64.21 59.86 2dn8 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn8 s SER 3 N -2.60 -0.13 0.00 6.43 0.15 -1.26 -5.16 113.70 111.13 2dn8 s SER 3 Ca 0.00 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2dn8 s SER 3 Cb 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2dn8 s SER 3 CO 0.00 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dn8 n GLY 4 N 0.42 -0.20 3.75 9.45 0.00 -1.26 -5.17 105.19 112.18 2dn8 n GLY 4 Ca -0.02 0.78 -0.31 0.00 0.00 0.00 0.00 46.02 46.47 2dn8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn8 s SER 5 N 0.00 5.45 0.04 1.61 1.04 -1.26 -4.90 113.70 115.68 2dn8 s SER 5 Ca 0.00 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.45 2dn8 s SER 5 Cb 0.00 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.65 2dn8 s SER 5 CO 0.00 0.22 0.00 -1.54 0.98 0.00 0.00 173.24 172.90 2dn8 n SER 6 N 0.81 -0.33 -0.57 7.02 3.41 -1.26 -5.17 113.62 117.53 2dn8 n SER 6 Ca -0.11 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 59.01 2dn8 n SER 6 Cb 0.52 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 65.12 2dn8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dn8 n GLY 7 N -1.13 -2.82 3.82 5.00 0.00 -1.26 -5.09 105.19 103.71 2dn8 n GLY 7 Ca 0.00 -1.30 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.35 0.00 0.99 2.61 -1.32 -1.26 -5.15 115.64 108.15 2dn8 s THR 8 Ca 0.00 -0.87 -0.16 0.00 -1.21 0.00 0.00 61.69 59.45 2dn8 s THR 8 Cb 0.00 -2.31 -0.05 0.00 -1.51 0.00 0.00 72.50 68.63 2dn8 s THR 8 CO 0.00 0.00 -0.25 0.00 -2.21 0.00 0.00 174.62 172.16 2dn8 s VAL 10 N -2.20 -0.43 0.92 0.00 0.11 -1.26 -5.18 120.40 112.36 2dn8 s VAL 10 Ca 0.49 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.41 2dn8 s VAL 10 Cb -0.17 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 33.87 2dn8 s VAL 10 CO 0.73 0.00 1.26 -0.36 -3.33 0.00 0.00 175.10 173.40 2dn8 s PHE 11 N 2.53 1.55 -0.76 1.54 0.08 -1.26 -5.01 117.98 116.65 2dn8 s PHE 11 Ca -0.01 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.07 2dn8 s PHE 11 Cb -0.07 -3.90 0.19 0.00 -0.57 0.00 0.00 43.02 38.68 2dn8 s PHE 11 CO -0.16 -2.48 0.71 -1.21 -0.10 0.00 0.00 175.22 171.97 2dn8 s GLU 12 N -5.75 3.45 0.88 0.44 2.02 -1.26 -5.05 118.70 113.43 2dn8 s GLU 12 Ca 0.73 -2.26 -0.12 0.00 0.02 0.00 0.00 54.97 53.34 2dn8 s GLU 12 Cb -0.04 -4.40 0.12 0.00 0.10 0.00 0.00 34.13 29.91 2dn8 s GLU 12 CO 0.51 -1.31 1.10 0.15 0.02 0.00 0.00 175.26 175.73 2dn8 s LYS 13 N 0.58 1.41 0.55 1.61 1.02 -1.26 -5.00 119.74 118.65 2dn8 s LYS 13 Ca 0.14 0.67 -0.18 0.00 0.02 0.00 0.00 55.97 56.62 2dn8 s LYS 13 Cb -0.15 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2dn8 s LYS 13 CO -0.06 -2.10 1.08 -1.21 -0.92 0.00 0.00 175.35 172.15 2dn8 s GLU 14 N -5.05 3.41 0.01 1.68 2.02 -1.26 -5.06 118.70 114.46 2dn8 s GLU 14 Ca 0.63 1.41 0.00 0.00 0.02 0.00 0.00 54.97 57.03 2dn8 s GLU 14 Cb -0.17 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 2dn8 s GLU 14 CO 0.56 -0.76 -0.02 -0.80 0.02 0.00 0.00 175.26 174.25 2dn8 s ASN 15 N -2.17 0.22 0.21 -0.19 0.01 -1.26 -5.16 114.94 106.59 2dn8 s ASN 15 Ca 0.68 -0.17 0.04 0.00 -0.71 0.00 0.00 52.86 52.71 2dn8 s ASN 15 Cb -0.19 0.01 -0.05 0.00 0.41 0.00 0.00 41.25 41.43 2dn8 s ASN 15 CO 0.29 -0.07 -0.05 -1.81 -1.51 0.00 0.00 177.10 173.95 2dn8 s ASP 16 N -0.46 1.98 0.37 -1.22 1.01 -1.26 -5.03 116.67 112.06 2dn8 s ASP 16 Ca -0.04 -1.14 0.27 0.00 0.71 0.00 0.00 52.55 52.35 2dn8 s ASP 16 Cb -0.03 -0.03 0.89 0.00 1.01 0.00 0.00 42.92 44.76 2dn8 s ASP 16 CO -0.00 -0.41 1.78 1.55 0.21 0.00 0.00 175.17 178.29 2dn8 h PRO 17 N 2.55 0.00 -0.12 8.23 0.13 -1.99 -3.17 132.00 137.64 2dn8 h PRO 17 Ca -0.38 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.69 2dn8 h PRO 17 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dn8 h PRO 17 CO 0.64 0.00 -0.17 1.79 -0.23 0.00 0.00 178.00 180.03 2dn8 h THR 18 N 0.00 1.37 -3.58 1.56 1.35 -1.96 -3.41 112.91 108.24 2dn8 h THR 18 Ca 0.00 -1.40 -0.64 0.00 -0.55 0.00 0.00 66.41 63.82 2dn8 h THR 18 Cb 0.65 2.02 -0.14 0.00 -1.73 0.00 0.00 68.15 68.96 2dn8 h THR 18 CO 0.00 0.41 0.20 0.54 -0.25 0.00 0.00 175.52 176.42 2dn8 s VAL 19 N -4.12 4.81 -1.00 6.82 0.11 -1.20 0.13 120.40 125.94 2dn8 s VAL 19 Ca -0.14 0.43 -0.23 0.00 -2.93 0.00 0.00 61.98 59.11 2dn8 s VAL 19 Cb 0.04 -4.18 0.04 0.00 -1.53 0.00 0.00 36.38 30.75 2dn8 s VAL 19 CO 0.75 -0.50 1.51 -0.76 -3.33 0.00 0.00 175.10 172.77 2dn8 s LEU 20 N 2.90 3.46 0.63 2.54 1.43 -0.62 -4.56 118.68 124.46 2dn8 s LEU 20 Ca 0.26 -1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 2dn8 s LEU 20 Cb -0.14 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 2dn8 s LEU 20 CO 0.18 -1.66 1.02 -0.13 0.23 0.00 0.00 176.35 175.99 2dn8 s ARG 21 N 5.23 3.41 -0.25 1.70 0.52 -1.26 -2.29 118.95 126.00 2dn8 s ARG 21 Ca 0.49 0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 56.03 2dn8 s ARG 21 Cb -0.01 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.38 2dn8 s ARG 21 CO -0.09 -0.65 1.03 0.45 0.02 0.00 0.00 175.30 176.06 2dn8 s SER 22 N -4.22 7.05 0.30 0.23 0.15 0.40 -4.86 113.70 112.75 2dn8 s SER 22 Ca 0.55 1.29 0.26 0.00 0.70 0.00 0.00 55.95 58.75 2dn8 s SER 22 Cb -0.11 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.56 2dn8 s SER 22 CO 0.53 -0.70 1.76 1.55 1.20 0.00 0.00 173.24 177.58 2dn8 h PRO 23 N 7.58 0.00 -2.35 5.44 0.13 -1.89 -2.40 132.00 138.52 2dn8 h PRO 23 Ca -0.20 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2dn8 h PRO 23 Cb 1.06 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.03 2dn8 h PRO 23 CO 0.98 0.00 0.33 0.45 -0.23 0.00 0.00 178.00 179.53 2dn8 s SER 24 N -4.75 -0.51 1.09 1.44 0.15 -1.26 -4.83 113.70 105.02 2dn8 s SER 24 Ca 0.07 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 2dn8 s SER 24 Cb 0.10 0.48 0.24 0.00 -1.71 0.00 0.00 66.02 65.14 2dn8 s SER 24 CO 0.52 -0.70 1.06 0.00 1.20 0.00 0.00 173.24 175.33 2dn8 s ALA 25 N -2.56 0.10 0.00 5.45 0.00 -1.26 -4.44 121.76 119.05 2dn8 s ALA 25 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2dn8 s ALA 25 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2dn8 s ALA 25 CO -0.04 -3.51 0.00 0.41 0.00 0.00 0.00 175.76 172.62 2dn8 n GLY 26 N 0.53 -0.58 2.83 0.00 0.00 -0.52 -4.60 105.19 102.85 2dn8 n GLY 26 Ca 0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.29 0.28 0.58 1.61 2.20 0.14 -0.73 119.74 122.53 2dn8 s LYS 27 Ca 0.00 0.33 -0.18 0.00 -0.36 0.00 0.00 55.97 55.76 2dn8 s LYS 27 Cb 0.00 -0.82 -0.07 0.00 -1.51 0.00 0.00 37.83 35.43 2dn8 s LYS 27 CO 0.00 -0.68 0.73 -0.11 -0.36 0.00 0.00 175.35 174.93 2dn8 n LEU 28 N 5.34 2.13 0.07 5.43 7.94 -1.04 -0.98 117.00 135.90 2dn8 n LEU 28 Ca -0.04 0.77 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 2dn8 n LEU 28 Cb 0.50 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.17 2dn8 n LEU 28 CO 0.06 -2.50 0.00 0.35 -1.11 0.00 0.00 177.39 174.20 2dn8 n THR 29 N -1.70 0.42 -3.58 1.96 -2.24 -1.25 -2.94 114.28 104.94 2dn8 n THR 29 Ca 0.13 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 62.00 2dn8 n THR 29 Cb 0.47 -0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 67.82 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 -1.70 0.41 0.73 -0.78 -2.07 -1.26 -4.32 119.66 110.67 2dn8 s GLN 30 Ca 0.00 -0.16 -0.08 0.00 -1.82 0.00 0.00 55.36 53.30 2dn8 s GLN 30 Cb 0.00 0.19 0.07 0.00 -1.09 0.00 0.00 33.01 32.18 2dn8 s GLN 30 CO 0.00 -0.18 1.06 0.71 -1.32 0.00 0.00 175.29 175.56 2dn8 s TYR 31 N -2.55 2.85 0.00 9.60 1.51 -1.26 -3.36 117.35 124.14 2dn8 s TYR 31 Ca 0.09 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 56.63 2dn8 s TYR 31 Cb -0.01 -3.28 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2dn8 s TYR 31 CO -0.05 -1.53 0.47 0.25 -1.11 0.00 0.00 175.55 173.57 2dn8 n THR 32 N -3.03 0.00 -4.45 -0.71 -2.24 0.24 -4.84 114.28 99.25 2dn8 n THR 32 Ca 0.08 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.14 2dn8 n THR 32 Cb 0.61 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.07 2.32 0.91 2.28 -7.23 -1.24 -4.95 120.40 112.42 2dn8 s VAL 33 Ca 0.00 -2.36 -0.12 0.00 -1.81 0.00 0.00 61.98 57.69 2dn8 s VAL 33 Cb 0.00 -2.27 0.20 0.00 0.56 0.00 0.00 36.38 34.87 2dn8 s VAL 33 CO 0.00 -0.43 1.25 -1.83 -0.31 0.00 0.00 175.10 173.78 2dn8 s GLU 34 N -3.54 0.74 0.07 4.82 -1.05 -1.26 -4.83 118.70 113.64 2dn8 s GLU 34 Ca 0.29 -0.75 -0.37 0.00 -0.15 0.00 0.00 54.97 54.00 2dn8 s GLU 34 Cb -0.04 -1.98 -0.16 0.00 -0.44 0.00 0.00 34.13 31.51 2dn8 s GLU 34 CO 0.13 -2.26 1.40 -0.25 0.95 0.00 0.00 175.26 175.23 2dn8 n ASP 35 N -3.55 1.86 -3.03 0.83 9.92 -1.26 0.57 116.55 121.88 2dn8 n ASP 35 Ca 0.17 1.11 -0.20 0.00 -0.53 0.00 0.00 54.79 55.34 2dn8 n ASP 35 Cb 0.60 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.87 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dn8 n GLY 36 N 2.73 -0.50 3.71 0.44 0.00 -1.22 -4.85 105.19 105.51 2dn8 n GLY 36 Ca 0.19 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.15 1.51 3.62 -0.02 0.00 0.19 -4.63 105.19 104.72 2dn8 n GLY 37 Ca -0.07 0.64 -0.39 0.00 0.00 0.00 0.00 46.02 46.20 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 1.36 3.28 0.38 1.61 -3.43 -1.26 -0.15 115.29 117.08 2dn8 s HIS 38 Ca 0.77 0.46 0.05 0.00 -0.80 0.00 0.00 55.06 55.53 2dn8 s HIS 38 Cb -0.52 -2.56 -0.06 0.00 -1.43 0.00 0.00 32.58 28.01 2dn8 s HIS 38 CO 0.34 -0.17 0.04 0.14 -2.00 0.00 0.00 174.74 173.09 2dn8 s VAL 39 N 1.87 1.43 0.16 -5.38 -7.23 -0.83 -5.00 120.40 105.42 2dn8 s VAL 39 Ca 0.16 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2dn8 s VAL 39 Cb -0.15 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2dn8 s VAL 39 CO 0.09 0.00 -0.04 -1.83 -0.31 0.00 0.00 175.10 173.01 2dn8 s GLU 40 N -3.81 2.28 -0.26 4.82 -1.05 -1.26 -2.05 118.70 117.37 2dn8 s GLU 40 Ca 0.32 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 2dn8 s GLU 40 Cb 0.08 -2.31 -0.07 0.00 -0.44 0.00 0.00 34.13 31.39 2dn8 s GLU 40 CO 0.15 0.46 2.21 0.00 0.95 0.00 0.00 175.26 179.03 2dn8 n ALA 41 N 0.08 1.55 0.00 -0.84 0.00 -1.26 -0.37 120.51 119.67 2dn8 n ALA 41 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2dn8 n ALA 41 Cb 0.55 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.20 2dn8 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 42 N 6.02 1.49 3.51 0.00 0.00 -1.18 -4.89 105.19 110.14 2dn8 n GLY 42 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.06 -4.20 1.61 7.64 0.51 -4.86 113.62 113.27 2dn8 n SER 43 Ca 0.00 -1.29 -0.29 0.00 1.01 0.00 0.00 58.87 58.30 2dn8 n SER 43 Cb 0.00 -0.97 -0.16 0.00 -1.01 0.00 0.00 64.21 62.07 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 -4.95 2.70 0.00 6.43 1.04 -1.26 -3.26 113.70 114.40 2dn8 s SER 44 Ca 0.70 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2dn8 s SER 44 Cb -0.04 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2dn8 s SER 44 CO 0.51 0.18 0.11 0.00 0.98 0.00 0.00 173.24 175.02 2dn8 n TYR 45 N 3.23 0.00 -3.86 5.02 0.18 -0.41 -4.75 117.16 116.57 2dn8 n TYR 45 Ca -0.19 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 s ALA 46 N -0.77 -1.99 0.34 -3.48 0.00 -1.15 0.81 121.76 115.52 2dn8 s ALA 46 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.03 2dn8 s ALA 46 Cb 0.00 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2dn8 s ALA 46 CO 0.00 -1.09 0.28 -1.21 0.00 0.00 0.00 175.76 173.74 2dn8 s GLU 47 N -2.28 1.81 -0.16 0.00 2.02 -1.21 0.18 118.70 119.05 2dn8 s GLU 47 Ca 0.22 -2.06 -0.25 0.00 0.02 0.00 0.00 54.97 52.90 2dn8 s GLU 47 Cb -0.01 0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.55 2dn8 s GLU 47 CO 0.02 -0.66 0.64 0.00 0.02 0.00 0.00 175.26 175.28 2dn8 s MET 48 N -3.42 0.86 -0.51 1.61 0.23 0.26 -3.95 119.30 114.38 2dn8 s MET 48 Ca 0.39 0.60 -0.17 0.00 -1.03 0.00 0.00 55.69 55.49 2dn8 s MET 48 Cb 0.02 0.41 0.08 0.00 -1.53 0.00 0.00 34.83 33.81 2dn8 s MET 48 CO 0.28 -0.18 0.52 -2.00 -2.03 0.00 0.00 175.02 171.61 2dn8 s GLU 49 N -0.31 3.03 -0.02 3.16 2.12 -0.15 0.19 118.70 126.71 2dn8 s GLU 49 Ca -0.05 -1.28 0.06 0.00 0.36 0.00 0.00 54.97 54.05 2dn8 s GLU 49 Cb -0.03 -4.17 -0.01 0.00 0.26 0.00 0.00 34.13 30.18 2dn8 s GLU 49 CO 0.04 -1.21 -0.19 0.54 -0.54 0.00 0.00 175.26 173.90 2dn8 s VAL 50 N 2.05 1.54 -1.40 3.70 0.11 0.42 -0.69 120.40 126.13 2dn8 s VAL 50 Ca 0.08 -0.82 -0.06 0.00 -2.93 0.00 0.00 61.98 58.25 2dn8 s VAL 50 Cb -0.24 -1.29 0.04 0.00 -1.53 0.00 0.00 36.38 33.36 2dn8 s VAL 50 CO 0.07 0.44 0.86 0.23 -3.33 0.00 0.00 175.10 173.37 2dn8 n MET 51 N 2.76 -5.44 -1.94 1.54 2.81 -1.26 0.17 117.12 115.75 2dn8 n MET 51 Ca -0.16 0.63 -0.17 0.00 -1.81 0.00 0.00 57.70 56.19 2dn8 n MET 51 Cb 0.53 -5.38 -0.04 0.00 -0.71 0.00 0.00 33.22 27.62 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 -4.50 -1.63 -4.32 0.03 5.02 -1.26 -4.94 118.16 106.56 2dn8 n LYS 52 Ca -0.13 0.94 -0.19 0.00 -2.02 0.00 0.00 58.31 56.91 2dn8 n LYS 52 Cb 0.61 -5.42 -0.13 0.00 -0.02 0.00 0.00 35.03 30.07 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 -4.23 0.83 -0.34 1.97 -1.94 0.13 -5.12 119.30 110.60 2dn8 s MET 53 Ca 0.00 -0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 53.14 2dn8 s MET 53 Cb 0.00 -0.80 -0.00 0.00 2.01 0.00 0.00 34.83 36.03 2dn8 s MET 53 CO 0.00 0.20 0.56 0.42 -0.01 0.00 0.00 175.02 176.19 2dn8 s ILE 54 N -0.77 4.97 -0.06 2.53 -1.09 -1.26 0.16 121.20 125.68 2dn8 s ILE 54 Ca 0.01 0.52 -0.00 0.00 -2.23 0.00 0.00 60.65 58.94 2dn8 s ILE 54 Cb -0.07 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2dn8 s ILE 54 CO 0.01 -0.21 -0.02 -0.32 -1.23 0.00 0.00 174.94 173.16 2dn8 s MET 55 N 2.51 2.87 0.26 2.79 -2.45 0.50 -4.92 119.30 120.86 2dn8 s MET 55 Ca 0.21 -0.49 -0.23 0.00 -1.25 0.00 0.00 55.69 53.93 2dn8 s MET 55 Cb -0.15 -2.71 -0.09 0.00 1.25 0.00 0.00 34.83 33.13 2dn8 s MET 55 CO 0.13 0.68 0.83 0.99 1.05 0.00 0.00 175.02 178.70 2dn8 s THR 56 N -0.90 4.37 -0.27 10.11 2.01 -1.26 0.91 115.64 130.61 2dn8 s THR 56 Ca 0.14 1.60 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 2dn8 s THR 56 Cb -0.11 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.43 2dn8 s THR 56 CO 0.04 0.23 0.02 -0.76 -0.69 0.00 0.00 174.62 173.46 2dn8 s LEU 57 N -1.88 3.49 0.31 4.42 1.43 0.47 -4.86 118.68 122.05 2dn8 s LEU 57 Ca 0.45 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.97 2dn8 s LEU 57 Cb -0.19 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2dn8 s LEU 57 CO 0.23 -0.13 0.17 0.54 0.23 0.00 0.00 176.35 177.38 2dn8 s ASN 58 N 1.46 5.00 0.01 2.29 2.20 -1.25 -1.29 114.94 123.36 2dn8 s ASN 58 Ca 0.03 -0.56 -0.21 0.00 -0.94 0.00 0.00 52.86 51.18 2dn8 s ASN 58 Cb -0.16 -0.96 -0.06 0.00 -2.00 0.00 0.00 41.25 38.07 2dn8 s ASN 58 CO -0.00 -0.20 0.60 0.68 -2.94 0.00 0.00 177.10 175.23 2dn8 s VAL 59 N -2.31 4.87 0.42 3.54 -7.23 -1.20 -4.93 120.40 113.55 2dn8 s VAL 59 Ca 0.36 1.26 0.13 0.00 -1.81 0.00 0.00 61.98 61.93 2dn8 s VAL 59 Cb -0.05 -3.93 0.16 0.00 0.56 0.00 0.00 36.38 33.11 2dn8 s VAL 59 CO 0.24 0.44 1.94 -0.61 -0.31 0.00 0.00 175.10 176.79 2dn8 h GLN 60 N 5.46 0.02 -2.60 4.82 4.15 -1.94 -3.12 115.11 121.90 2dn8 h GLN 60 Ca -0.46 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 58.85 2dn8 h GLN 60 Cb 1.20 -0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.64 2dn8 h GLN 60 CO 0.69 0.25 -0.25 -1.21 -1.93 0.00 0.00 178.83 176.38 2dn8 s GLU 61 N -4.52 0.45 0.63 1.69 0.41 -1.26 -4.85 118.70 111.24 2dn8 s GLU 61 Ca -0.04 0.78 -0.15 0.00 -0.41 0.00 0.00 54.97 55.16 2dn8 s GLU 61 Cb 0.15 0.05 -0.13 0.00 -1.78 0.00 0.00 34.13 32.43 2dn8 s GLU 61 CO 0.71 -0.14 -0.39 2.89 -0.49 0.00 0.00 175.26 177.85 2dn8 n ARG 62 N 3.93 0.00 0.00 1.61 1.85 -1.26 -4.67 116.66 118.12 2dn8 n ARG 62 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 2dn8 n ARG 62 Cb 0.56 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dn8 n GLY 63 N 2.52 -0.46 2.93 2.89 0.00 -0.87 -4.59 105.19 107.61 2dn8 n GLY 63 Ca 0.03 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 1.36 -0.06 1.61 0.52 -1.02 -1.97 118.95 117.39 2dn8 s ARG 64 Ca 0.00 -0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 54.71 2dn8 s ARG 64 Cb 0.00 -1.31 -0.03 0.00 0.52 0.00 0.00 34.95 34.13 2dn8 s ARG 64 CO 0.00 -0.13 0.80 0.08 0.02 0.00 0.00 175.30 176.07 2dn8 s VAL 65 N 1.20 4.98 0.27 3.52 1.01 0.78 -1.39 120.40 130.76 2dn8 s VAL 65 Ca -0.05 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.67 2dn8 s VAL 65 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2dn8 s VAL 65 CO -0.02 0.20 -0.16 -0.75 0.00 0.00 0.00 175.10 174.37 2dn8 s LYS 66 N 0.99 1.58 -0.24 2.72 2.20 -1.15 -3.05 119.74 122.78 2dn8 s LYS 66 Ca 0.42 -1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.03 2dn8 s LYS 66 Cb -0.19 -1.53 -0.00 0.00 -1.51 0.00 0.00 37.83 34.60 2dn8 s LYS 66 CO 0.21 0.25 0.88 -0.47 -0.36 0.00 0.00 175.35 175.85 2dn8 s TYR 67 N -2.69 3.31 0.03 4.03 5.04 -1.26 -3.28 117.35 122.53 2dn8 s TYR 67 Ca 0.28 1.20 -0.04 0.00 -2.44 0.00 0.00 57.07 56.07 2dn8 s TYR 67 Cb -0.02 -3.12 -0.01 0.00 0.35 0.00 0.00 41.96 39.15 2dn8 s TYR 67 CO 0.13 -0.44 -0.07 -0.89 -1.34 0.00 0.00 175.55 172.94 2dn8 n ILE 68 N 5.30 1.21 -3.99 3.14 2.08 -1.25 -4.92 119.36 120.94 2dn8 n ILE 68 Ca 0.07 0.33 -0.32 0.00 0.56 0.00 0.00 62.75 63.40 2dn8 n ILE 68 Cb 0.47 -1.72 -0.05 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.13 3.21 0.51 0.38 -0.14 -0.94 -5.04 119.74 115.61 2dn8 s LYS 69 Ca -0.06 -0.49 -0.20 0.00 -1.36 0.00 0.00 55.97 53.86 2dn8 s LYS 69 Cb 0.01 -2.93 -0.07 0.00 -1.68 0.00 0.00 37.83 33.15 2dn8 s LYS 69 CO 0.09 0.62 1.08 1.03 -0.76 0.00 0.00 175.35 177.41 2dn8 s ARG 70 N -2.20 3.60 0.05 1.68 1.81 -1.26 -4.99 118.95 117.65 2dn8 s ARG 70 Ca 0.29 1.48 -0.31 0.00 -1.72 0.00 0.00 55.73 55.48 2dn8 s ARG 70 Cb -0.12 -2.06 -0.05 0.00 -0.45 0.00 0.00 34.95 32.26 2dn8 s ARG 70 CO 0.22 -0.62 1.17 -1.25 -0.68 0.00 0.00 175.30 174.14 2dn8 s PRO 71 N -3.25 4.45 0.00 3.54 0.04 -1.26 -3.34 135.00 135.18 2dn8 s PRO 71 Ca 0.70 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2dn8 s PRO 71 Cb -0.20 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2dn8 s PRO 71 CO 0.23 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2dn8 n GLY 72 N 3.18 1.22 3.90 0.56 0.00 -1.15 -4.93 105.19 107.97 2dn8 n GLY 72 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 2.76 -0.59 4.61 0.00 -1.21 -4.85 121.76 120.47 2dn8 s ALA 73 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.10 2dn8 s ALA 73 Cb 0.00 -2.92 0.08 0.00 0.00 0.00 0.00 23.12 20.28 2dn8 s ALA 73 CO 0.00 -1.55 0.81 0.54 0.00 0.00 0.00 175.76 175.56 2dn8 s VAL 74 N -3.50 4.61 0.24 0.00 0.11 -1.26 -2.48 120.40 118.11 2dn8 s VAL 74 Ca 0.61 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.84 2dn8 s VAL 74 Cb -0.11 -4.53 -0.09 0.00 -1.53 0.00 0.00 36.38 30.12 2dn8 s VAL 74 CO 0.49 -1.18 1.35 -0.76 -3.33 0.00 0.00 175.10 171.67 2dn8 s LEU 75 N 3.31 4.41 0.05 2.54 2.01 0.09 -4.93 118.68 126.16 2dn8 s LEU 75 Ca 0.18 2.53 0.02 0.00 0.01 0.00 0.00 54.13 56.87 2dn8 s LEU 75 Cb -0.19 -3.62 -0.03 0.00 0.01 0.00 0.00 46.19 42.36 2dn8 s LEU 75 CO 0.10 -0.58 -0.07 -1.61 1.01 0.00 0.00 176.35 175.21 2dn8 s GLU 76 N -0.49 0.57 0.18 1.70 2.02 -1.26 -1.43 118.70 119.99 2dn8 s GLU 76 Ca 0.56 -0.89 -0.32 0.00 0.02 0.00 0.00 54.97 54.34 2dn8 s GLU 76 Cb -0.39 -0.19 -0.11 0.00 0.10 0.00 0.00 34.13 33.54 2dn8 s GLU 76 CO 0.42 0.01 1.70 0.00 0.02 0.00 0.00 175.26 177.41 2dn8 s ALA 77 N -2.04 3.87 -0.42 5.21 0.00 -1.26 -3.04 121.76 124.08 2dn8 s ALA 77 Ca -0.05 1.50 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 2dn8 s ALA 77 Cb -0.06 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 2dn8 s ALA 77 CO -0.02 -0.94 0.37 0.41 0.00 0.00 0.00 175.76 175.58 2dn8 n GLY 78 N 3.96 0.10 3.28 0.00 0.00 -0.90 -4.95 105.19 106.68 2dn8 n GLY 78 Ca 0.16 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.67 4.73 0.10 0.00 0.11 -1.26 0.15 120.40 120.57 2dn8 s VAL 80 Ca 0.39 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2dn8 s VAL 80 Cb 0.04 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2dn8 s VAL 80 CO 0.21 0.35 0.00 0.52 -3.33 0.00 0.00 175.10 172.85 2dn8 n VAL 81 N 1.18 0.66 -4.14 2.04 0.31 -0.97 -4.82 118.33 112.59 2dn8 n VAL 81 Ca -0.13 0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.26 2dn8 n VAL 81 Cb 0.53 -1.31 -0.05 0.00 -0.91 0.00 0.00 33.84 32.09 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 1.02 0.42 3.52 0.00 -1.22 -2.21 121.76 121.29 2dn8 s ALA 82 Ca 0.00 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 50.39 2dn8 s ALA 82 Cb 0.00 1.24 -0.03 0.00 0.00 0.00 0.00 23.12 24.33 2dn8 s ALA 82 CO 0.00 -0.75 0.29 1.03 0.00 0.00 0.00 175.76 176.33 2dn8 s ARG 83 N -3.24 2.40 -0.12 0.00 1.81 -1.20 -1.59 118.95 117.00 2dn8 s ARG 83 Ca 0.33 -1.68 -0.02 0.00 -1.72 0.00 0.00 55.73 52.65 2dn8 s ARG 83 Cb 0.01 -2.20 0.04 0.00 -0.45 0.00 0.00 34.95 32.34 2dn8 s ARG 83 CO 0.21 -0.17 0.00 -1.17 -0.68 0.00 0.00 175.30 173.50 2dn8 s LEU 84 N -4.04 0.86 -0.74 2.53 1.98 0.35 -2.96 118.68 116.66 2dn8 s LEU 84 Ca 0.45 -0.36 -0.16 0.00 -2.89 0.00 0.00 54.13 51.17 2dn8 s LEU 84 Cb -0.00 -0.54 0.17 0.00 0.66 0.00 0.00 46.19 46.48 2dn8 s LEU 84 CO 0.25 -0.22 0.75 -0.70 -1.89 0.00 0.00 176.35 174.54 2dn8 s GLU 85 N 1.90 3.38 -0.40 1.98 2.12 -0.49 -4.62 118.70 122.57 2dn8 s GLU 85 Ca 0.03 -2.03 -0.43 0.00 0.36 0.00 0.00 54.97 52.90 2dn8 s GLU 85 Cb -0.14 -4.44 -0.17 0.00 0.26 0.00 0.00 34.13 29.64 2dn8 s GLU 85 CO -0.06 -1.40 1.77 1.28 -0.54 0.00 0.00 175.26 176.30 2dn8 n LEU 86 N 4.95 1.73 -1.43 2.70 4.77 -1.26 -2.43 117.00 126.02 2dn8 n LEU 86 Ca 0.05 1.03 0.09 0.00 -0.03 0.00 0.00 56.01 57.15 2dn8 n LEU 86 Cb 0.45 -1.02 0.33 0.00 -2.33 0.00 0.00 43.42 40.85 2dn8 n LEU 86 CO 0.44 -0.65 0.79 -0.67 -1.33 0.00 0.00 177.39 175.98 2dn8 n ASP 87 N 5.42 4.58 -2.72 -1.43 2.03 -1.26 -4.53 116.55 118.62 2dn8 n ASP 87 Ca 0.33 -2.53 -0.07 0.00 0.52 0.00 0.00 54.79 53.04 2dn8 n ASP 87 Cb 0.04 -0.55 0.06 0.00 -0.72 0.00 0.00 41.12 39.96 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2dn8 n ASP 88 N 0.80 -2.40 -3.99 1.67 -0.08 -1.26 -5.06 116.55 106.24 2dn8 n ASP 88 Ca 0.24 -2.98 -0.30 0.00 -1.51 0.00 0.00 54.79 50.24 2dn8 n ASP 88 Cb 0.88 1.59 0.21 0.00 2.34 0.00 0.00 41.12 46.14 2dn8 n ASP 88 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2dn8 s PRO 89 N 0.48 -0.27 -0.02 -0.67 0.04 -1.26 -4.62 135.00 128.67 2dn8 s PRO 89 Ca 0.29 -0.23 -0.00 0.00 0.04 0.00 0.00 61.00 61.09 2dn8 s PRO 89 Cb 0.24 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 33.05 2dn8 s PRO 89 CO -0.18 -3.05 0.00 0.45 0.04 0.00 0.00 177.00 174.26 2dn8 n SER 90 N -4.25 -6.69 -4.21 6.66 2.88 -1.26 -4.82 113.62 101.94 2dn8 n SER 90 Ca 0.14 0.49 -0.44 0.00 -1.33 0.00 0.00 58.87 57.74 2dn8 n SER 90 Cb 0.59 -1.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 2dn8 n SER 90 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dn8 n LYS 91 N 1.31 3.83 -3.83 -1.46 4.81 -1.26 -4.94 118.16 116.61 2dn8 n LYS 91 Ca -0.00 -4.33 -0.25 0.00 -0.87 0.00 0.00 58.31 52.86 2dn8 n LYS 91 Cb 0.45 -2.64 -0.17 0.00 0.02 0.00 0.00 35.03 32.69 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2dn8 s VAL 92 N -1.25 0.67 0.50 3.15 1.01 -1.26 -5.14 120.40 118.08 2dn8 s VAL 92 Ca 0.33 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2dn8 s VAL 92 Cb -0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.51 2dn8 s VAL 92 CO -0.00 0.30 0.97 -1.38 0.00 0.00 0.00 175.10 174.99 2dn8 s HIS 93 N 1.85 3.44 -0.06 5.22 -3.43 -1.26 -5.02 115.29 116.04 2dn8 s HIS 93 Ca 0.05 1.46 -0.13 0.00 -0.80 0.00 0.00 55.06 55.64 2dn8 s HIS 93 Cb -0.12 -2.78 -0.08 0.00 -1.43 0.00 0.00 32.58 28.16 2dn8 s HIS 93 CO -0.07 -0.34 0.50 -1.00 -2.00 0.00 0.00 174.74 171.83 2dn8 h PRO 94 N 1.01 -0.27 -3.01 -0.38 0.13 -2.03 -3.49 132.00 123.96 2dn8 h PRO 94 Ca -0.47 0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.71 2dn8 h PRO 94 Cb 1.18 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 2dn8 h PRO 94 CO 0.62 -0.05 0.22 -1.54 -0.23 0.00 0.00 178.00 177.01 2dn8 s SER 95 N -5.30 -0.37 0.00 1.44 1.04 -1.26 -5.19 113.70 104.06 2dn8 s SER 95 Ca -0.07 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2dn8 s SER 95 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2dn8 s SER 95 CO 0.24 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2dn8 n GLY 96 N -0.43 3.26 3.81 7.32 0.00 -1.26 -5.11 105.19 112.78 2dn8 n GLY 96 Ca -0.09 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 3.13 3.23 -0.44 1.61 0.04 -1.26 -5.03 135.00 136.28 2dn8 s PRO 97 Ca 0.00 1.09 -0.04 0.00 0.04 0.00 0.00 61.00 62.09 2dn8 s PRO 97 Cb 0.00 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.63 2dn8 s PRO 97 CO 0.00 -0.88 0.25 0.45 0.04 0.00 0.00 177.00 176.87 2dn8 s SER 98 N -3.19 5.35 0.00 6.66 0.15 -1.26 -4.80 113.70 116.61 2dn8 s SER 98 Ca 0.61 -2.08 0.00 0.00 0.70 0.00 0.00 55.95 55.18 2dn8 s SER 98 Cb -0.15 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2dn8 s SER 98 CO 0.43 -0.56 0.00 -0.24 1.20 0.00 0.00 173.24 174.07 2dn8 n SER 99 N 4.56 0.00 0.00 5.45 2.88 -1.26 -5.36 113.62 119.88 2dn8 n SER 99 Ca -0.02 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.60 2dn8 n SER 99 Cb 0.41 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.39 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42