#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 -0.25 0.24 1.61 1.04 -1.26 -5.17 113.70 109.91 2dn8 s SER 2 Ca 0.00 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 2dn8 s SER 2 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2dn8 s SER 2 CO 0.00 -0.16 0.55 -0.44 0.98 0.00 0.00 173.24 174.17 2dn8 s SER 3 N -0.14 -0.18 0.01 7.02 0.01 -1.26 -5.09 113.70 114.07 2dn8 s SER 3 Ca -0.03 -0.73 -0.10 0.00 1.31 0.00 0.00 55.95 56.40 2dn8 s SER 3 Cb -0.03 0.62 -0.06 0.00 0.21 0.00 0.00 66.02 66.77 2dn8 s SER 3 CO 0.01 -1.17 0.94 1.23 0.41 0.00 0.00 173.24 174.66 2dn8 h GLY 4 N 2.18 -0.38 -2.94 3.44 0.00 -2.08 -3.49 103.07 99.79 2dn8 h GLY 4 Ca -0.25 0.14 0.31 0.00 0.00 0.00 0.00 47.33 47.54 2dn8 h GLY 4 CO 0.33 -0.14 -0.70 1.44 0.00 0.00 0.00 176.54 177.46 2dn8 n SER 5 N -3.19 -7.22 -4.85 0.19 7.64 -1.26 -4.81 113.62 100.12 2dn8 n SER 5 Ca -0.05 0.80 -0.32 0.00 1.01 0.00 0.00 58.87 60.32 2dn8 n SER 5 Cb 0.14 -4.10 -0.02 0.00 -1.01 0.00 0.00 64.21 59.22 2dn8 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn8 s SER 6 N -6.43 6.53 0.48 6.43 0.15 -1.26 -5.07 113.70 114.52 2dn8 s SER 6 Ca 0.00 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.13 2dn8 s SER 6 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2dn8 s SER 6 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2dn8 n GLY 7 N -1.79 -1.88 3.80 9.45 0.00 -1.26 -5.02 105.19 108.49 2dn8 n GLY 7 Ca 0.06 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.48 5.09 -0.66 2.61 -1.32 -1.26 -4.99 115.64 114.64 2dn8 s THR 8 Ca 0.00 0.83 -0.26 0.00 -1.21 0.00 0.00 61.69 61.05 2dn8 s THR 8 Cb 0.00 -3.72 -0.05 0.00 -1.51 0.00 0.00 72.50 67.21 2dn8 s THR 8 CO 0.00 0.51 2.09 0.00 -2.21 0.00 0.00 174.62 175.01 2dn8 s VAL 10 N 10.81 0.05 0.17 0.00 0.11 -1.26 -5.16 120.40 125.12 2dn8 s VAL 10 Ca 0.79 -0.45 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 2dn8 s VAL 10 Cb -0.13 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2dn8 s VAL 10 CO 0.16 -0.25 0.05 0.12 -3.33 0.00 0.00 175.10 171.85 2dn8 s PHE 11 N -0.80 2.96 -0.30 1.54 5.36 -1.26 -5.11 117.98 120.38 2dn8 s PHE 11 Ca -0.09 -0.09 -0.16 0.00 -0.96 0.00 0.00 56.93 55.63 2dn8 s PHE 11 Cb -0.05 -1.43 0.18 0.00 -0.34 0.00 0.00 43.02 41.37 2dn8 s PHE 11 CO 0.00 0.52 1.13 -1.21 -1.46 0.00 0.00 175.22 174.21 2dn8 s GLU 12 N -2.99 0.14 -0.29 10.12 2.02 -1.26 -5.13 118.70 121.31 2dn8 s GLU 12 Ca 0.29 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.62 2dn8 s GLU 12 Cb -0.10 0.17 0.19 0.00 0.10 0.00 0.00 34.13 34.49 2dn8 s GLU 12 CO 0.20 -0.10 0.54 0.21 0.02 0.00 0.00 175.26 176.13 2dn8 s LYS 13 N 2.62 0.52 -0.34 1.61 2.20 -1.26 -5.07 119.74 120.02 2dn8 s LYS 13 Ca -0.02 0.47 -0.06 0.00 -0.36 0.00 0.00 55.97 55.99 2dn8 s LYS 13 Cb -0.07 0.12 0.22 0.00 -1.51 0.00 0.00 37.83 36.60 2dn8 s LYS 13 CO -0.13 -1.02 1.12 -1.91 -0.36 0.00 0.00 175.35 173.05 2dn8 n GLU 14 N 5.40 0.11 -1.86 4.03 2.13 -1.26 -5.11 120.64 124.08 2dn8 n GLU 14 Ca 0.03 -0.79 0.00 0.00 0.66 0.00 0.00 57.16 57.06 2dn8 n GLU 14 Cb 0.53 0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.31 2dn8 n GLU 14 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dn8 n ASN 15 N 2.46 -8.57 0.00 4.31 3.02 -1.26 -5.08 115.26 110.13 2dn8 n ASN 15 Ca 0.10 1.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.91 2dn8 n ASN 15 Cb 0.66 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 2dn8 n ASN 15 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dn8 n ASP 16 N 1.29 0.00 0.00 6.41 -0.08 -1.26 -5.01 116.55 117.91 2dn8 n ASP 16 Ca 0.00 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.40 2dn8 n ASP 16 Cb 0.00 0.00 0.66 0.00 2.34 0.00 0.00 41.12 44.12 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2dn8 n PRO 17 N 0.00 0.58 0.08 -0.67 -0.04 -1.26 -2.66 135.00 131.03 2dn8 n PRO 17 Ca 0.00 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2dn8 n PRO 17 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 2dn8 n PRO 17 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2dn8 h THR 18 N 0.00 1.64 -3.45 0.52 1.35 -1.95 -3.42 112.91 107.61 2dn8 h THR 18 Ca 0.00 -3.28 -0.72 0.00 -0.55 0.00 0.00 66.41 61.86 2dn8 h THR 18 Cb 0.09 2.86 -0.27 0.00 -1.73 0.00 0.00 68.15 69.09 2dn8 h THR 18 CO 0.00 0.94 -0.46 0.54 -0.25 0.00 0.00 175.52 176.29 2dn8 s VAL 19 N -2.72 4.29 -0.89 6.82 0.11 -1.09 0.55 120.40 127.48 2dn8 s VAL 19 Ca -0.01 -1.36 -0.25 0.00 -2.93 0.00 0.00 61.98 57.44 2dn8 s VAL 19 Cb 0.09 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2dn8 s VAL 19 CO 0.84 -0.50 1.72 -0.76 -3.33 0.00 0.00 175.10 173.08 2dn8 s LEU 20 N 1.44 3.29 0.12 2.54 1.43 -1.11 -4.87 118.68 121.52 2dn8 s LEU 20 Ca 0.03 -0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 2dn8 s LEU 20 Cb -0.23 -2.56 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 2dn8 s LEU 20 CO 0.02 -2.23 0.51 -0.13 0.23 0.00 0.00 176.35 174.75 2dn8 s ARG 21 N 6.27 3.94 -0.47 1.70 0.52 -1.26 -2.20 118.95 127.45 2dn8 s ARG 21 Ca 0.59 0.43 -0.33 0.00 -0.52 0.00 0.00 55.73 55.90 2dn8 s ARG 21 Cb -0.05 -2.97 -0.12 0.00 0.52 0.00 0.00 34.95 32.32 2dn8 s ARG 21 CO 0.00 0.51 2.30 0.45 0.02 0.00 0.00 175.30 178.59 2dn8 n SER 22 N 0.90 1.87 0.00 0.23 2.88 0.46 -4.75 113.62 115.21 2dn8 n SER 22 Ca -0.06 0.22 0.11 0.00 -1.33 0.00 0.00 58.87 57.81 2dn8 n SER 22 Cb 0.52 -1.26 0.68 0.00 -0.75 0.00 0.00 64.21 63.39 2dn8 n SER 22 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2dn8 n PRO 23 N 8.37 0.75 0.00 -1.46 -0.04 -1.26 -2.66 135.00 138.71 2dn8 n PRO 23 Ca 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2dn8 n PRO 23 Cb 0.25 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2dn8 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 n SER 24 N -0.98 0.00 -4.80 3.54 2.88 -1.26 -4.97 113.62 108.03 2dn8 n SER 24 Ca 0.17 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.39 2dn8 n SER 24 Cb 0.08 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2dn8 n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dn8 s ALA 25 N -2.00 2.67 0.00 -1.46 0.00 -1.26 -4.46 121.76 115.24 2dn8 s ALA 25 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2dn8 s ALA 25 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2dn8 s ALA 25 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.18 2dn8 n GLY 26 N -1.06 -0.83 2.96 0.00 0.00 0.16 -4.60 105.19 101.82 2dn8 n GLY 26 Ca 0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.67 0.27 0.22 1.61 2.20 -0.51 -1.30 119.74 121.56 2dn8 s LYS 27 Ca 0.00 0.60 -0.32 0.00 -0.36 0.00 0.00 55.97 55.89 2dn8 s LYS 27 Cb 0.00 -0.40 -0.13 0.00 -1.51 0.00 0.00 37.83 35.79 2dn8 s LYS 27 CO 0.00 -0.51 1.52 -0.11 -0.36 0.00 0.00 175.35 175.89 2dn8 n LEU 28 N 5.36 3.38 -0.01 5.43 7.94 -0.17 -1.79 117.00 137.13 2dn8 n LEU 28 Ca -0.05 1.12 -0.02 0.00 -1.11 0.00 0.00 56.01 55.94 2dn8 n LEU 28 Cb 0.50 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.98 2dn8 n LEU 28 CO 0.05 -0.27 -0.15 0.35 -1.11 0.00 0.00 177.39 176.26 2dn8 n THR 29 N 2.61 0.56 -3.69 1.96 -2.24 -1.22 -2.92 114.28 109.34 2dn8 n THR 29 Ca 0.13 0.27 0.01 0.00 -2.27 0.00 0.00 64.05 62.19 2dn8 n THR 29 Cb 0.32 -1.57 -0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 -1.60 0.48 -0.01 -0.78 -2.07 -1.26 -4.31 119.66 110.11 2dn8 s GLN 30 Ca -0.06 -0.28 -0.03 0.00 -1.82 0.00 0.00 55.36 53.17 2dn8 s GLN 30 Cb 0.01 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 2dn8 s GLN 30 CO 0.09 -0.22 0.17 0.71 -1.32 0.00 0.00 175.29 174.73 2dn8 s TYR 31 N -2.42 3.53 -0.54 9.60 2.02 -1.26 -2.88 117.35 125.39 2dn8 s TYR 31 Ca 0.16 0.35 0.23 0.00 -0.37 0.00 0.00 57.07 57.44 2dn8 s TYR 31 Cb 0.04 -1.82 0.07 0.00 -0.40 0.00 0.00 41.96 39.84 2dn8 s TYR 31 CO -0.03 0.64 1.04 0.25 -1.57 0.00 0.00 175.55 175.89 2dn8 n THR 32 N 0.98 0.24 -4.03 -0.71 -2.24 0.61 -4.91 114.28 104.22 2dn8 n THR 32 Ca -0.11 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.15 2dn8 n THR 32 Cb 0.53 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -3.23 3.66 0.55 2.28 -7.23 -1.22 -5.02 120.40 110.19 2dn8 s VAL 33 Ca 0.03 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 58.72 2dn8 s VAL 33 Cb 0.14 -3.15 0.06 0.00 0.56 0.00 0.00 36.38 33.98 2dn8 s VAL 33 CO 0.79 -0.25 0.76 -1.83 -0.31 0.00 0.00 175.10 174.26 2dn8 s GLU 34 N -3.88 2.41 -0.25 4.82 -1.05 -1.26 -4.89 118.70 114.61 2dn8 s GLU 34 Ca 0.37 -1.21 -0.41 0.00 -0.15 0.00 0.00 54.97 53.57 2dn8 s GLU 34 Cb -0.06 -2.59 -0.17 0.00 -0.44 0.00 0.00 34.13 30.88 2dn8 s GLU 34 CO 0.24 -0.75 1.61 -3.47 0.95 0.00 0.00 175.26 173.85 2dn8 n ASP 35 N -2.25 1.89 -1.34 0.83 2.03 -1.26 0.97 116.55 117.41 2dn8 n ASP 35 Ca 0.11 1.11 -0.10 0.00 0.52 0.00 0.00 54.79 56.44 2dn8 n ASP 35 Cb 0.60 -1.08 0.01 0.00 -0.72 0.00 0.00 41.12 39.93 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 3.73 0.09 3.70 0.27 0.00 -1.01 -4.95 105.19 107.03 2dn8 n GLY 36 Ca 0.26 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.06 1.37 3.49 -0.02 0.00 0.27 -4.68 105.19 104.55 2dn8 n GLY 37 Ca -0.07 0.62 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 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 0.96 2.98 0.27 1.61 2.46 -1.26 0.43 115.29 122.74 2dn8 s HIS 38 Ca 0.75 -0.30 -0.05 0.00 0.47 0.00 0.00 55.06 55.93 2dn8 s HIS 38 Cb -0.57 -1.90 0.02 0.00 -0.13 0.00 0.00 32.58 30.01 2dn8 s HIS 38 CO 0.36 -0.00 0.45 1.33 -2.47 0.00 0.00 174.74 174.41 2dn8 n VAL 39 N 3.31 0.00 -4.25 0.89 0.24 -1.17 -5.03 118.33 112.32 2dn8 n VAL 39 Ca -0.18 -1.08 -0.28 0.00 -2.04 0.00 0.00 64.34 60.77 2dn8 n VAL 39 Cb 0.53 0.78 -0.09 0.00 -1.47 0.00 0.00 33.84 33.58 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 -2.37 2.14 -0.37 7.34 -1.05 -1.26 -3.21 118.70 119.92 2dn8 s GLU 40 Ca 0.17 -1.15 -0.37 0.00 -0.15 0.00 0.00 54.97 53.48 2dn8 s GLU 40 Cb -0.02 -2.25 -0.13 0.00 -0.44 0.00 0.00 34.13 31.30 2dn8 s GLU 40 CO 0.13 0.46 2.17 0.00 0.95 0.00 0.00 175.26 178.98 2dn8 n ALA 41 N 0.25 0.94 0.00 -0.84 0.00 -1.26 -0.43 120.51 119.16 2dn8 n ALA 41 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2dn8 n ALA 41 Cb 0.54 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 6.65 1.50 3.75 0.00 0.00 -0.48 -4.87 105.19 111.73 2dn8 n GLY 42 Ca 0.43 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2dn8 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn8 s SER 43 N -0.39 4.52 -0.17 1.61 0.01 0.42 -4.68 113.70 115.03 2dn8 s SER 43 Ca 0.00 2.10 -0.11 0.00 1.31 0.00 0.00 55.95 59.25 2dn8 s SER 43 Cb 0.00 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 2dn8 s SER 43 CO 0.00 -2.03 0.19 -0.94 0.41 0.00 0.00 173.24 170.87 2dn8 s SER 44 N -2.55 6.33 -0.01 2.44 1.04 -1.26 -2.23 113.70 117.47 2dn8 s SER 44 Ca 0.68 0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.55 2dn8 s SER 44 Cb -0.23 -2.12 -0.08 0.00 0.10 0.00 0.00 66.02 63.69 2dn8 s SER 44 CO 0.46 0.20 0.15 0.00 0.98 0.00 0.00 173.24 175.03 2dn8 n TYR 45 N 3.22 0.00 -3.85 5.02 0.18 -0.38 -4.68 117.16 116.67 2dn8 n TYR 45 Ca -0.15 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.54 2dn8 n TYR 45 Cb 0.52 -0.10 -0.00 0.00 -0.38 0.00 0.00 39.34 39.38 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 s ALA 46 N -2.20 -0.83 0.32 -3.48 0.00 -1.16 -0.28 121.76 114.12 2dn8 s ALA 46 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2dn8 s ALA 46 Cb 0.04 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2dn8 s ALA 46 CO 0.23 -0.99 0.36 0.39 0.00 0.00 0.00 175.76 175.75 2dn8 n GLU 47 N -0.50 0.52 -3.78 0.00 1.02 -1.14 0.11 120.64 116.87 2dn8 n GLU 47 Ca -0.06 -2.85 -0.04 0.00 -0.02 0.00 0.00 57.16 54.19 2dn8 n GLU 47 Cb 0.60 2.53 -0.01 0.00 -0.02 0.00 0.00 31.44 34.54 2dn8 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dn8 s MET 48 N -3.00 1.31 -0.21 3.49 0.23 0.15 -3.40 119.30 117.88 2dn8 s MET 48 Ca 0.32 -0.75 0.00 0.00 -1.03 0.00 0.00 55.69 54.24 2dn8 s MET 48 Cb 0.00 0.43 0.05 0.00 -1.53 0.00 0.00 34.83 33.79 2dn8 s MET 48 CO 0.23 -0.60 -0.07 -2.00 -2.03 0.00 0.00 175.02 170.55 2dn8 s GLU 49 N -3.16 1.68 -0.00 3.16 2.12 -0.74 0.14 118.70 121.90 2dn8 s GLU 49 Ca 0.13 -0.84 0.04 0.00 0.36 0.00 0.00 54.97 54.67 2dn8 s GLU 49 Cb -0.02 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.95 2dn8 s GLU 49 CO 0.04 -0.51 -0.12 0.54 -0.54 0.00 0.00 175.26 174.66 2dn8 s VAL 50 N 1.46 0.92 -1.69 3.70 0.11 0.39 -1.42 120.40 123.87 2dn8 s VAL 50 Ca -0.03 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2dn8 s VAL 50 Cb -0.17 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 2dn8 s VAL 50 CO -0.07 0.21 0.00 0.23 -3.33 0.00 0.00 175.10 172.13 2dn8 n MET 51 N 2.65 -1.76 -1.56 1.54 2.81 -1.26 0.02 117.12 119.56 2dn8 n MET 51 Ca -0.15 0.96 -0.11 0.00 -1.81 0.00 0.00 57.70 56.59 2dn8 n MET 51 Cb 0.56 -5.60 -0.04 0.00 -0.71 0.00 0.00 33.22 27.43 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 -2.96 -0.81 -4.08 0.03 4.76 -1.26 -4.99 118.16 108.85 2dn8 n LYS 52 Ca -0.23 0.80 -0.25 0.00 -2.87 0.00 0.00 58.31 55.76 2dn8 n LYS 52 Cb 0.68 -4.82 -0.17 0.00 -1.84 0.00 0.00 35.03 28.88 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 -3.38 1.39 -0.17 1.97 -1.94 0.10 -5.11 119.30 112.17 2dn8 s MET 53 Ca 0.00 -0.24 -0.29 0.00 -1.71 0.00 0.00 55.69 53.45 2dn8 s MET 53 Cb 0.00 -1.39 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 2dn8 s MET 53 CO 0.00 -0.18 1.22 0.42 -0.01 0.00 0.00 175.02 176.47 2dn8 s ILE 54 N 1.40 4.35 0.07 2.53 1.09 -1.26 -0.46 121.20 128.91 2dn8 s ILE 54 Ca -0.02 1.63 0.09 0.00 -1.10 0.00 0.00 60.65 61.25 2dn8 s ILE 54 Cb -0.13 -4.05 -0.03 0.00 -1.06 0.00 0.00 42.46 37.18 2dn8 s ILE 54 CO -0.04 -0.13 -0.23 -0.32 -0.10 0.00 0.00 174.94 174.12 2dn8 s MET 55 N 3.34 1.83 0.23 2.79 1.75 0.37 -4.95 119.30 124.66 2dn8 s MET 55 Ca 0.53 -1.11 -0.07 0.00 -1.25 0.00 0.00 55.69 53.79 2dn8 s MET 55 Cb -0.21 -2.06 -0.06 0.00 2.84 0.00 0.00 34.83 35.35 2dn8 s MET 55 CO 0.14 0.51 0.52 0.99 -0.65 0.00 0.00 175.02 176.52 2dn8 s THR 56 N -0.93 5.01 -0.15 10.11 2.01 -1.26 0.35 115.64 130.78 2dn8 s THR 56 Ca 0.14 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2dn8 s THR 56 Cb -0.10 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 2dn8 s THR 56 CO 0.05 -0.14 -0.16 -0.76 -0.69 0.00 0.00 174.62 172.92 2dn8 s LEU 57 N -3.05 2.45 0.34 4.42 1.43 0.30 -4.90 118.68 119.66 2dn8 s LEU 57 Ca 0.45 -0.48 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 2dn8 s LEU 57 Cb -0.11 -1.55 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 2dn8 s LEU 57 CO 0.25 0.08 -0.00 0.54 0.23 0.00 0.00 176.35 177.45 2dn8 s ASN 58 N 0.83 4.10 -0.02 2.29 2.20 -1.26 -1.25 114.94 121.84 2dn8 s ASN 58 Ca -0.05 -1.04 -0.19 0.00 -0.94 0.00 0.00 52.86 50.65 2dn8 s ASN 58 Cb -0.15 -0.50 -0.05 0.00 -2.00 0.00 0.00 41.25 38.55 2dn8 s ASN 58 CO -0.00 -0.24 0.53 0.68 -2.94 0.00 0.00 177.10 175.12 2dn8 s VAL 59 N -2.54 4.97 0.28 3.54 -7.23 -0.95 -4.92 120.40 113.56 2dn8 s VAL 59 Ca 0.34 1.10 0.10 0.00 -1.81 0.00 0.00 61.98 61.71 2dn8 s VAL 59 Cb 0.01 -3.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.07 2dn8 s VAL 59 CO 0.19 0.44 1.63 1.56 -0.31 0.00 0.00 175.10 178.61 2dn8 h GLN 60 N 5.57 0.03 -3.31 4.82 1.08 -1.93 -1.28 115.11 120.09 2dn8 h GLN 60 Ca -0.46 -0.02 -0.30 0.00 -1.45 0.00 0.00 58.65 56.42 2dn8 h GLN 60 Cb 1.20 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 28.28 2dn8 h GLN 60 CO 0.69 0.61 -0.68 -1.21 -0.95 0.00 0.00 178.83 177.28 2dn8 s GLU 61 N -3.70 -0.01 0.44 1.46 0.41 -1.26 -4.77 118.70 111.27 2dn8 s GLU 61 Ca -0.02 0.36 -0.14 0.00 -0.41 0.00 0.00 54.97 54.76 2dn8 s GLU 61 Cb 0.13 -0.31 -0.12 0.00 -1.78 0.00 0.00 34.13 32.05 2dn8 s GLU 61 CO 0.76 -0.24 -0.15 2.89 -0.49 0.00 0.00 175.26 178.03 2dn8 n ARG 62 N 4.73 0.00 -0.06 1.61 1.85 -1.26 -4.67 116.66 118.85 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 -0.81 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 2.09 -0.64 2.95 2.89 0.00 -1.20 -4.40 105.19 106.88 2dn8 n GLY 63 Ca 0.06 -0.54 -0.28 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 -1.08 1.80 0.13 1.61 0.52 0.15 -3.02 118.95 119.07 2dn8 s ARG 64 Ca 0.00 -0.36 -0.21 0.00 -0.52 0.00 0.00 55.73 54.64 2dn8 s ARG 64 Cb 0.00 -1.77 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 2dn8 s ARG 64 CO 0.00 -0.26 0.66 0.08 0.02 0.00 0.00 175.30 175.80 2dn8 s VAL 65 N 1.63 4.61 0.09 3.52 1.01 0.17 -0.19 120.40 131.24 2dn8 s VAL 65 Ca 0.05 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.37 2dn8 s VAL 65 Cb -0.13 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2dn8 s VAL 65 CO -0.09 0.46 -0.00 -0.75 0.00 0.00 0.00 175.10 174.72 2dn8 s LYS 66 N -1.33 0.76 0.03 2.72 2.20 -1.12 -0.86 119.74 122.14 2dn8 s LYS 66 Ca 0.34 -1.32 -0.28 0.00 -0.36 0.00 0.00 55.97 54.35 2dn8 s LYS 66 Cb -0.20 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 2dn8 s LYS 66 CO 0.22 -0.16 0.89 -0.47 -0.36 0.00 0.00 175.35 175.47 2dn8 s TYR 67 N -3.94 3.70 0.00 4.03 5.04 -1.26 -3.67 117.35 121.26 2dn8 s TYR 67 Ca 0.14 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2dn8 s TYR 67 Cb 0.08 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 39.39 2dn8 s TYR 67 CO -0.05 0.12 0.00 -0.89 -1.34 0.00 0.00 175.55 173.39 2dn8 n ILE 68 N 3.37 0.00 -3.93 3.14 5.41 -1.25 -4.93 119.36 121.16 2dn8 n ILE 68 Ca 0.02 0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.42 2dn8 n ILE 68 Cb 0.50 -0.58 -0.12 0.00 -0.71 0.00 0.00 39.64 38.73 2dn8 n ILE 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2dn8 s LYS 69 N -1.79 3.65 0.49 0.38 -0.14 -0.96 -5.04 119.74 116.34 2dn8 s LYS 69 Ca 0.00 -0.49 -0.22 0.00 -1.36 0.00 0.00 55.97 53.90 2dn8 s LYS 69 Cb 0.00 -3.18 -0.08 0.00 -1.68 0.00 0.00 37.83 32.88 2dn8 s LYS 69 CO 0.00 -0.05 0.99 0.54 -0.76 0.00 0.00 175.35 176.07 2dn8 n ARG 70 N 4.47 1.21 -2.46 1.68 1.74 -1.26 -4.90 116.66 117.14 2dn8 n ARG 70 Ca -0.17 0.44 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 2dn8 n ARG 70 Cb 0.52 -2.10 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 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 -2.30 4.44 0.00 5.56 0.04 -1.26 -3.46 135.00 138.01 2dn8 s PRO 71 Ca 0.68 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2dn8 s PRO 71 Cb -0.49 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2dn8 s PRO 71 CO 0.53 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.73 2dn8 n GLY 72 N 3.20 1.01 3.88 0.56 0.00 -1.15 -5.00 105.19 107.70 2dn8 n GLY 72 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 3.14 -0.08 4.61 0.00 -1.22 -4.84 121.76 121.37 2dn8 s ALA 73 Ca 0.00 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.44 2dn8 s ALA 73 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2dn8 s ALA 73 CO 0.00 -0.72 0.70 0.54 0.00 0.00 0.00 175.76 176.29 2dn8 s VAL 74 N -3.11 5.04 -0.13 0.00 0.11 -1.26 -1.00 120.40 120.05 2dn8 s VAL 74 Ca 0.54 1.44 -0.25 0.00 -2.93 0.00 0.00 61.98 60.78 2dn8 s VAL 74 Cb -0.11 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.68 2dn8 s VAL 74 CO 0.51 0.23 0.82 -0.76 -3.33 0.00 0.00 175.10 172.57 2dn8 s LEU 75 N 0.92 4.23 0.13 2.54 2.01 -0.42 -4.84 118.68 123.25 2dn8 s LEU 75 Ca 0.37 1.23 0.10 0.00 0.01 0.00 0.00 54.13 55.84 2dn8 s LEU 75 Cb -0.18 -3.24 -0.04 0.00 0.01 0.00 0.00 46.19 42.75 2dn8 s LEU 75 CO 0.17 -0.32 -0.24 -0.70 1.01 0.00 0.00 176.35 176.28 2dn8 s GLU 76 N 1.72 1.32 0.11 1.70 2.12 -1.26 -0.67 118.70 123.74 2dn8 s GLU 76 Ca 0.40 -1.32 -0.31 0.00 0.36 0.00 0.00 54.97 54.10 2dn8 s GLU 76 Cb -0.17 -1.68 -0.09 0.00 0.26 0.00 0.00 34.13 32.44 2dn8 s GLU 76 CO 0.15 0.39 1.59 0.00 -0.54 0.00 0.00 175.26 176.85 2dn8 s ALA 77 N -1.25 3.72 -0.33 6.30 0.00 -1.26 -3.00 121.76 125.94 2dn8 s ALA 77 Ca 0.13 1.26 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 2dn8 s ALA 77 Cb -0.09 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 2dn8 s ALA 77 CO 0.06 -0.92 0.28 0.41 0.00 0.00 0.00 175.76 175.59 2dn8 n GLY 78 N 3.84 0.25 3.35 0.00 0.00 -1.09 -5.01 105.19 106.54 2dn8 n GLY 78 Ca 0.15 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.57 5.08 0.12 0.00 0.11 -1.26 0.17 120.40 121.05 2dn8 s VAL 80 Ca 0.35 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2dn8 s VAL 80 Cb 0.05 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.42 2dn8 s VAL 80 CO 0.17 0.11 0.00 0.52 -3.33 0.00 0.00 175.10 172.57 2dn8 n VAL 81 N 0.28 0.41 -4.19 2.04 0.31 -0.93 -4.74 118.33 111.50 2dn8 n VAL 81 Ca -0.06 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.25 2dn8 n VAL 81 Cb 0.51 -0.87 -0.06 0.00 -0.91 0.00 0.00 33.84 32.52 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 -3.12 0.47 -2.41 3.52 0.00 -1.22 -2.26 120.51 115.48 2dn8 n ALA 82 Ca 0.00 -1.48 -0.30 0.00 0.00 0.00 0.00 53.44 51.66 2dn8 n ALA 82 Cb 0.00 1.20 -0.13 0.00 0.00 0.00 0.00 19.45 20.51 2dn8 n ALA 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dn8 s ARG 83 N -3.00 1.85 -0.33 0.00 6.06 -1.24 -2.74 118.95 119.54 2dn8 s ARG 83 Ca 0.30 -1.10 -0.04 0.00 -2.50 0.00 0.00 55.73 52.39 2dn8 s ARG 83 Cb 0.01 -2.07 0.06 0.00 0.06 0.00 0.00 34.95 33.01 2dn8 s ARG 83 CO 0.21 0.51 0.08 -1.17 -2.50 0.00 0.00 175.30 172.43 2dn8 s LEU 84 N -1.54 4.30 -0.80 -0.88 1.98 0.19 -2.81 118.68 119.12 2dn8 s LEU 84 Ca 0.14 -1.35 -0.19 0.00 -2.89 0.00 0.00 54.13 49.84 2dn8 s LEU 84 Cb -0.10 -1.80 0.12 0.00 0.66 0.00 0.00 46.19 45.07 2dn8 s LEU 84 CO 0.05 -0.34 0.98 -1.61 -1.89 0.00 0.00 176.35 173.54 2dn8 s GLU 85 N 1.29 3.39 0.10 1.98 0.41 0.74 -4.60 118.70 122.01 2dn8 s GLU 85 Ca -0.02 -1.55 -0.35 0.00 -0.41 0.00 0.00 54.97 52.64 2dn8 s GLU 85 Cb -0.20 -4.60 -0.18 0.00 -1.78 0.00 0.00 34.13 27.37 2dn8 s GLU 85 CO -0.00 -1.69 0.92 1.28 -0.49 0.00 0.00 175.26 175.27 2dn8 n LEU 86 N 6.49 -0.10 -1.92 1.80 4.77 -1.26 -0.67 117.00 126.12 2dn8 n LEU 86 Ca 0.11 1.15 -0.19 0.00 -0.03 0.00 0.00 56.01 57.05 2dn8 n LEU 86 Cb 0.47 -0.99 0.11 0.00 -2.33 0.00 0.00 43.42 40.68 2dn8 n LEU 86 CO 0.53 -2.13 1.12 -0.90 -1.33 0.00 0.00 177.39 174.69 2dn8 n ASP 87 N 1.77 4.39 0.00 -1.43 5.68 -1.26 -4.49 116.55 121.22 2dn8 n ASP 87 Ca 0.18 -3.20 0.00 0.00 -0.50 0.00 0.00 54.79 51.28 2dn8 n ASP 87 Cb 0.17 -0.81 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dn8 n ASP 88 N -0.55 0.00 0.15 -1.12 2.03 -1.26 -5.00 116.55 110.81 2dn8 n ASP 88 Ca 0.43 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.76 2dn8 n ASP 88 Cb 1.15 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.74 2dn8 n ASP 88 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dn8 h PRO 89 N 0.00 0.00 0.00 -0.67 0.13 -1.99 -3.41 132.00 126.06 2dn8 h PRO 89 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 2dn8 h PRO 89 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dn8 h PRO 89 CO 0.00 0.52 0.07 0.45 -0.23 0.00 0.00 178.00 178.80 2dn8 n SER 90 N -3.47 -0.26 0.00 1.44 2.88 -1.26 -4.91 113.62 108.03 2dn8 n SER 90 Ca 0.00 -1.14 0.14 0.00 -1.33 0.00 0.00 58.87 56.54 2dn8 n SER 90 Cb 0.63 0.25 0.71 0.00 -0.75 0.00 0.00 64.21 65.05 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 -0.14 0.46 0.00 -1.46 4.81 -1.26 -4.51 118.16 116.06 2dn8 n LYS 91 Ca -0.08 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2dn8 n LYS 91 Cb 0.53 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.08 2dn8 n LYS 91 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2dn8 n VAL 92 N -1.25 0.00 -1.67 3.15 3.14 -1.26 -5.09 118.33 115.35 2dn8 n VAL 92 Ca 0.14 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.51 2dn8 n VAL 92 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 2dn8 n VAL 92 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2dn8 n HIS 93 N -1.46 -0.44 -0.00 1.45 -0.00 -1.26 -5.00 115.22 108.50 2dn8 n HIS 93 Ca 0.00 0.18 -0.17 0.00 0.46 0.00 0.00 57.72 58.18 2dn8 n HIS 93 Cb 0.00 -1.83 -0.10 0.00 -0.12 0.00 0.00 29.99 27.94 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2dn8 h PRO 94 N 0.25 0.47 -6.42 1.57 0.13 -1.98 -3.46 132.00 122.56 2dn8 h PRO 94 Ca 0.00 -0.46 -0.54 0.00 -0.87 0.00 0.00 66.00 64.13 2dn8 h PRO 94 Cb 0.15 0.12 0.23 0.00 0.13 0.00 0.00 31.00 31.62 2dn8 h PRO 94 CO 0.03 1.10 -1.17 0.43 -0.23 0.00 0.00 178.00 178.15 2dn8 n SER 95 N -4.20 -3.92 0.00 1.44 7.64 -1.26 -4.96 113.62 108.36 2dn8 n SER 95 Ca -0.10 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2dn8 n SER 95 Cb 0.66 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2dn8 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 96 N 2.43 4.20 3.45 0.23 0.00 -1.26 -5.15 105.19 109.09 2dn8 n GLY 96 Ca 0.03 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.80 -2.09 -1.32 1.61 -0.04 -1.26 -4.92 135.00 125.17 2dn8 n PRO 97 Ca 0.00 -1.78 0.16 0.00 -0.04 0.00 0.00 63.50 61.84 2dn8 n PRO 97 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 2dn8 n PRO 97 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dn8 n SER 98 N -4.27 -7.38 -2.04 3.54 7.64 -1.26 -5.00 113.62 104.86 2dn8 n SER 98 Ca 0.15 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2dn8 n SER 98 Cb 0.55 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.45 2dn8 n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dn8 n SER 99 N -4.29 -8.11 -0.15 6.43 2.88 -1.26 -5.19 113.62 103.94 2dn8 n SER 99 Ca -0.04 1.44 0.02 0.00 -1.33 0.00 0.00 58.87 58.96 2dn8 n SER 99 Cb 0.65 -4.43 0.02 0.00 -0.75 0.00 0.00 64.21 59.70 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42