#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 -0.14 -0.16 1.61 0.01 -1.26 -5.17 113.70 108.59 2dn8 s SER 2 Ca 0.00 -0.16 -0.26 0.00 1.31 0.00 0.00 55.95 56.84 2dn8 s SER 2 Cb 0.00 0.36 0.07 0.00 0.21 0.00 0.00 66.02 66.65 2dn8 s SER 2 CO 0.00 -0.60 0.66 -0.55 0.41 0.00 0.00 173.24 173.16 2dn8 s SER 3 N -1.99 -0.66 0.57 2.44 0.15 -1.26 -5.18 113.70 107.78 2dn8 s SER 3 Ca -0.06 1.05 0.02 0.00 0.70 0.00 0.00 55.95 57.66 2dn8 s SER 3 Cb -0.01 1.00 0.09 0.00 -1.71 0.00 0.00 66.02 65.39 2dn8 s SER 3 CO -0.03 -0.39 0.67 0.61 1.20 0.00 0.00 173.24 175.30 2dn8 n GLY 4 N 1.93 1.03 3.93 9.45 0.00 -1.26 -5.11 105.19 115.17 2dn8 n GLY 4 Ca -0.16 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 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 -3.79 6.23 -0.30 1.61 0.15 -1.26 -5.09 113.70 111.25 2dn8 s SER 5 Ca 0.46 0.57 -0.12 0.00 0.70 0.00 0.00 55.95 57.56 2dn8 s SER 5 Cb -0.03 -2.04 0.18 0.00 -1.71 0.00 0.00 66.02 62.42 2dn8 s SER 5 CO 0.30 -0.42 1.03 -0.44 1.20 0.00 0.00 173.24 174.91 2dn8 s SER 6 N -4.08 -0.49 -0.85 5.45 0.01 -1.26 -5.05 113.70 107.43 2dn8 s SER 6 Ca 0.43 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.92 2dn8 s SER 6 Cb -0.10 1.39 0.28 0.00 0.21 0.00 0.00 66.02 67.80 2dn8 s SER 6 CO 0.39 -0.09 2.14 0.61 0.41 0.00 0.00 173.24 176.70 2dn8 n GLY 7 N 5.41 5.42 3.46 3.44 0.00 -1.26 -4.94 105.19 116.72 2dn8 n GLY 7 Ca -0.04 -2.37 -0.33 0.00 0.00 0.00 0.00 46.02 43.29 2dn8 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dn8 s THR 8 N -4.17 3.01 0.07 2.61 -4.23 -1.26 -5.04 115.64 106.63 2dn8 s THR 8 Ca 0.51 -0.74 -0.28 0.00 -1.18 0.00 0.00 61.69 60.00 2dn8 s THR 8 Cb 0.36 -2.18 -0.13 0.00 1.34 0.00 0.00 72.50 71.89 2dn8 s THR 8 CO -0.30 0.58 1.44 0.00 -0.54 0.00 0.00 174.62 175.80 2dn8 n VAL 10 N -4.85 -6.70 -1.59 0.00 0.31 -1.26 -4.77 118.33 99.47 2dn8 n VAL 10 Ca -0.09 -0.24 -0.51 0.00 -0.01 0.00 0.00 64.34 63.49 2dn8 n VAL 10 Cb 0.36 -4.89 -0.05 0.00 -0.91 0.00 0.00 33.84 28.34 2dn8 n VAL 10 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2dn8 n PHE 11 N -2.44 1.53 -3.74 3.52 1.16 -1.26 -4.93 117.46 111.30 2dn8 n PHE 11 Ca -0.15 0.62 -0.00 0.00 -1.87 0.00 0.00 57.45 56.05 2dn8 n PHE 11 Cb 0.60 -2.34 -0.00 0.00 -1.61 0.00 0.00 39.48 36.13 2dn8 n PHE 11 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 2dn8 s GLU 12 N 0.35 0.73 -0.08 3.97 2.12 -1.26 -5.16 118.70 119.37 2dn8 s GLU 12 Ca 0.82 -0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.72 2dn8 s GLU 12 Cb -0.92 0.23 0.02 0.00 0.26 0.00 0.00 34.13 33.73 2dn8 s GLU 12 CO 0.47 -0.34 -0.06 -1.59 -0.54 0.00 0.00 175.26 173.21 2dn8 s LYS 13 N -2.56 1.18 0.18 4.30 -2.85 -1.26 -5.13 119.74 113.60 2dn8 s LYS 13 Ca 0.17 -0.15 -0.05 0.00 -1.00 0.00 0.00 55.97 54.94 2dn8 s LYS 13 Cb 0.02 -1.27 -0.03 0.00 -2.06 0.00 0.00 37.83 34.49 2dn8 s LYS 13 CO -0.01 -0.21 0.20 -1.21 0.10 0.00 0.00 175.35 174.22 2dn8 s GLU 14 N 1.52 1.15 0.18 1.78 2.02 -1.26 -5.14 118.70 118.95 2dn8 s GLU 14 Ca -0.00 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 2dn8 s GLU 14 Cb -0.13 0.32 -0.08 0.00 0.10 0.00 0.00 34.13 34.34 2dn8 s GLU 14 CO -0.05 -0.40 0.92 0.54 0.02 0.00 0.00 175.26 176.30 2dn8 s ASN 15 N -3.05 7.54 -0.34 -0.19 2.20 -1.26 -5.01 114.94 114.84 2dn8 s ASN 15 Ca 0.26 1.83 -0.05 0.00 -0.94 0.00 0.00 52.86 53.96 2dn8 s ASN 15 Cb 0.05 -2.58 0.19 0.00 -2.00 0.00 0.00 41.25 36.91 2dn8 s ASN 15 CO 0.05 0.08 0.92 -0.62 -2.94 0.00 0.00 177.10 174.59 2dn8 s ASP 16 N -0.70 -0.70 -0.53 3.54 -1.08 -1.26 -4.98 116.67 110.95 2dn8 s ASP 16 Ca 0.42 -0.26 -0.06 0.00 -0.52 0.00 0.00 52.55 52.13 2dn8 s ASP 16 Cb -0.24 1.01 -0.14 0.00 -1.46 0.00 0.00 42.92 42.08 2dn8 s ASP 16 CO 0.30 -0.09 2.69 -0.81 0.52 0.00 0.00 175.17 177.78 2dn8 n PRO 17 N 4.18 2.06 0.00 4.34 -0.04 -1.26 -3.74 135.00 140.53 2dn8 n PRO 17 Ca 0.07 -1.19 0.04 0.00 -0.04 0.00 0.00 63.50 62.38 2dn8 n PRO 17 Cb 0.60 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.19 0.00 -4.02 0.52 -2.24 -1.26 -4.75 114.28 105.72 2dn8 n THR 18 Ca 0.44 -0.35 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 2dn8 n THR 18 Cb 0.47 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 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 -1.54 1.63 -0.95 2.28 0.11 -1.25 -0.07 120.40 120.62 2dn8 s VAL 19 Ca 0.05 -0.75 -0.24 0.00 -2.93 0.00 0.00 61.98 58.11 2dn8 s VAL 19 Cb 0.07 -1.57 0.01 0.00 -1.53 0.00 0.00 36.38 33.36 2dn8 s VAL 19 CO 0.29 0.39 1.64 -0.76 -3.33 0.00 0.00 175.10 173.33 2dn8 s LEU 20 N 1.45 3.35 0.64 2.54 1.43 -0.77 -4.94 118.68 122.37 2dn8 s LEU 20 Ca 0.03 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2dn8 s LEU 20 Cb -0.14 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2dn8 s LEU 20 CO -0.10 -2.02 1.04 -0.13 0.23 0.00 0.00 176.35 175.37 2dn8 s ARG 21 N 5.85 3.34 -0.34 1.70 0.52 -1.26 -1.61 118.95 127.15 2dn8 s ARG 21 Ca 0.55 0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 56.40 2dn8 s ARG 21 Cb -0.03 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.40 2dn8 s ARG 21 CO -0.04 -0.78 0.79 0.45 0.02 0.00 0.00 175.30 175.74 2dn8 s SER 22 N -3.88 6.61 0.15 0.23 0.15 0.15 -4.86 113.70 112.25 2dn8 s SER 22 Ca 0.57 0.51 0.24 0.00 0.70 0.00 0.00 55.95 57.96 2dn8 s SER 22 Cb -0.12 -2.40 0.91 0.00 -1.71 0.00 0.00 66.02 62.69 2dn8 s SER 22 CO 0.52 -0.68 1.73 -0.81 1.20 0.00 0.00 173.24 175.20 2dn8 n PRO 23 N 6.33 0.14 -3.52 5.44 -0.04 -1.26 -1.62 135.00 140.48 2dn8 n PRO 23 Ca 0.03 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2dn8 n PRO 23 Cb 0.48 -1.71 -0.04 0.00 -0.04 0.00 0.00 33.50 32.19 2dn8 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 s SER 24 N -3.86 -0.47 0.55 3.54 0.15 -1.26 -4.86 113.70 107.48 2dn8 s SER 24 Ca 0.09 0.31 -0.19 0.00 0.70 0.00 0.00 55.95 56.85 2dn8 s SER 24 Cb 0.12 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 2dn8 s SER 24 CO 0.46 -0.59 1.14 0.00 1.20 0.00 0.00 173.24 175.44 2dn8 s ALA 25 N -2.12 2.68 0.00 5.45 0.00 -1.26 -4.41 121.76 122.11 2dn8 s ALA 25 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2dn8 s ALA 25 Cb -0.01 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2dn8 s ALA 25 CO -0.02 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.35 2dn8 n GLY 26 N 0.18 1.64 2.73 0.00 0.00 0.66 -4.61 105.19 105.79 2dn8 n GLY 26 Ca 0.12 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 2.43 0.22 0.26 1.61 1.02 0.17 0.53 119.74 125.98 2dn8 s LYS 27 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 2dn8 s LYS 27 Cb 0.00 -1.10 -0.13 0.00 -0.52 0.00 0.00 37.83 36.08 2dn8 s LYS 27 CO 0.00 -0.76 1.45 -0.11 -0.92 0.00 0.00 175.35 175.01 2dn8 n LEU 28 N 5.31 3.47 0.01 3.17 7.94 -0.71 -1.45 117.00 134.74 2dn8 n LEU 28 Ca -0.05 1.15 -0.01 0.00 -1.11 0.00 0.00 56.01 55.99 2dn8 n LEU 28 Cb 0.48 -1.48 -0.00 0.00 0.53 0.00 0.00 43.42 42.95 2dn8 n LEU 28 CO 0.06 -0.32 -0.08 0.35 -1.11 0.00 0.00 177.39 176.30 2dn8 n THR 29 N 1.84 0.60 -3.59 1.96 -2.24 -1.26 -0.58 114.28 111.01 2dn8 n THR 29 Ca 0.10 0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 62.07 2dn8 n THR 29 Cb 0.33 -1.42 0.01 0.00 -2.10 0.00 0.00 70.33 67.15 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n GLN 30 N -3.07 0.52 -4.34 -0.78 10.64 -1.26 -3.87 117.38 115.22 2dn8 n GLN 30 Ca -0.02 -1.09 -0.30 0.00 -1.83 0.00 0.00 57.00 53.76 2dn8 n GLN 30 Cb 0.06 1.41 -0.04 0.00 -0.86 0.00 0.00 30.24 30.81 2dn8 n GLN 30 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2dn8 s TYR 31 N -4.30 1.69 0.00 2.61 -0.85 -1.26 -2.88 117.35 112.36 2dn8 s TYR 31 Ca 0.12 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 2dn8 s TYR 31 Cb -0.02 -1.75 0.00 0.00 0.38 0.00 0.00 41.96 40.57 2dn8 s TYR 31 CO 0.05 -0.14 0.59 0.25 -1.52 0.00 0.00 175.55 174.79 2dn8 n THR 32 N -1.53 0.35 -4.35 -3.49 -2.24 0.37 -4.86 114.28 98.53 2dn8 n THR 32 Ca -0.11 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 61.00 2dn8 n THR 32 Cb 0.66 0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.35 1.83 0.82 2.28 -7.23 -1.23 -4.97 120.40 111.54 2dn8 s VAL 33 Ca 0.00 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 2dn8 s VAL 33 Cb 0.00 -1.99 0.17 0.00 0.56 0.00 0.00 36.38 35.11 2dn8 s VAL 33 CO 0.00 -0.49 1.12 -1.83 -0.31 0.00 0.00 175.10 173.60 2dn8 s GLU 34 N -3.34 1.19 -0.14 4.82 -1.05 -1.26 -4.83 118.70 114.09 2dn8 s GLU 34 Ca 0.21 -1.00 -0.40 0.00 -0.15 0.00 0.00 54.97 53.63 2dn8 s GLU 34 Cb -0.03 -2.17 -0.18 0.00 -0.44 0.00 0.00 34.13 31.32 2dn8 s GLU 34 CO 0.07 -1.86 1.46 -0.40 0.95 0.00 0.00 175.26 175.48 2dn8 n ASP 35 N -3.18 1.49 -3.49 0.83 5.68 -1.26 0.12 116.55 116.73 2dn8 n ASP 35 Ca 0.16 1.12 -0.26 0.00 -0.50 0.00 0.00 54.79 55.32 2dn8 n ASP 35 Cb 0.60 -1.07 0.03 0.00 -1.14 0.00 0.00 41.12 39.54 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dn8 n GLY 36 N 3.09 -0.51 3.71 6.12 0.00 -1.01 -4.87 105.19 111.72 2dn8 n GLY 36 Ca 0.23 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.55 1.37 3.64 -0.02 0.00 0.31 -4.53 105.19 104.41 2dn8 n GLY 37 Ca -0.02 0.58 -0.35 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 0.78 3.28 0.32 1.61 5.04 -1.26 0.52 115.29 125.58 2dn8 s HIS 38 Ca 0.73 0.12 0.04 0.00 -1.54 0.00 0.00 55.06 54.41 2dn8 s HIS 38 Cb -0.54 -2.17 -0.02 0.00 0.04 0.00 0.00 32.58 29.89 2dn8 s HIS 38 CO 0.38 0.11 0.15 1.33 -2.34 0.00 0.00 174.74 174.37 2dn8 n VAL 39 N 3.89 0.00 -4.22 0.89 0.24 -1.12 -5.01 118.33 113.00 2dn8 n VAL 39 Ca -0.16 -1.99 -0.26 0.00 -2.04 0.00 0.00 64.34 59.89 2dn8 n VAL 39 Cb 0.52 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 33.61 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 -3.24 2.37 -0.35 7.34 2.02 -1.26 -3.06 118.70 122.53 2dn8 s GLU 40 Ca 0.22 -1.14 -0.29 0.00 0.02 0.00 0.00 54.97 53.78 2dn8 s GLU 40 Cb 0.01 -2.33 -0.07 0.00 0.10 0.00 0.00 34.13 31.84 2dn8 s GLU 40 CO 0.15 0.45 2.30 0.00 0.02 0.00 0.00 175.26 178.18 2dn8 n ALA 41 N -0.18 1.34 0.00 5.21 0.00 -1.26 -0.48 120.51 125.14 2dn8 n ALA 41 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2dn8 n ALA 41 Cb 0.55 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 17.07 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 5.99 1.39 3.54 0.00 0.00 -1.14 -4.90 105.19 110.07 2dn8 n GLY 42 Ca 0.35 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.53 1.51 -0.15 1.61 0.01 0.37 -4.68 113.70 111.83 2dn8 s SER 43 Ca 0.00 1.60 -0.05 0.00 1.31 0.00 0.00 55.95 58.81 2dn8 s SER 43 Cb 0.00 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2dn8 s SER 43 CO 0.00 -3.89 0.00 -0.94 0.41 0.00 0.00 173.24 168.83 2dn8 s SER 44 N -2.66 5.15 -0.02 2.44 1.04 -1.26 -2.42 113.70 115.97 2dn8 s SER 44 Ca 0.68 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 57.15 2dn8 s SER 44 Cb -0.24 -1.79 -0.09 0.00 0.10 0.00 0.00 66.02 64.00 2dn8 s SER 44 CO 0.63 0.21 0.11 0.00 0.98 0.00 0.00 173.24 175.16 2dn8 n TYR 45 N 3.30 0.00 -3.71 5.02 0.18 -0.32 -4.80 117.16 116.83 2dn8 n TYR 45 Ca -0.17 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.53 2dn8 n TYR 45 Cb 0.53 -0.16 0.02 0.00 -0.38 0.00 0.00 39.34 39.35 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 -1.80 -1.45 -4.19 -3.48 0.00 -1.10 0.14 120.51 108.63 2dn8 n ALA 46 Ca -0.03 -1.12 -0.22 0.00 0.00 0.00 0.00 53.44 52.07 2dn8 n ALA 46 Cb 0.25 0.89 -0.07 0.00 0.00 0.00 0.00 19.45 20.52 2dn8 n ALA 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dn8 n GLU 47 N -0.47 0.41 -3.50 0.00 4.71 -1.14 0.18 120.64 120.83 2dn8 n GLU 47 Ca -0.07 -3.09 -0.17 0.00 -0.01 0.00 0.00 57.16 53.83 2dn8 n GLU 47 Cb 0.51 2.41 -0.05 0.00 -1.01 0.00 0.00 31.44 33.30 2dn8 n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dn8 s MET 48 N -3.28 1.11 -0.29 3.49 0.23 0.29 -4.03 119.30 116.82 2dn8 s MET 48 Ca 0.34 0.10 -0.04 0.00 -1.03 0.00 0.00 55.69 55.06 2dn8 s MET 48 Cb 0.02 0.52 0.02 0.00 -1.53 0.00 0.00 34.83 33.86 2dn8 s MET 48 CO 0.24 -0.38 0.03 -2.00 -2.03 0.00 0.00 175.02 170.88 2dn8 s GLU 49 N -1.74 2.86 0.03 3.16 2.12 -0.53 0.16 118.70 124.76 2dn8 s GLU 49 Ca -0.08 -0.99 0.03 0.00 0.36 0.00 0.00 54.97 54.29 2dn8 s GLU 49 Cb -0.00 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 2dn8 s GLU 49 CO 0.05 -0.48 -0.10 0.54 -0.54 0.00 0.00 175.26 174.73 2dn8 s VAL 50 N 1.40 0.77 -1.32 3.70 0.11 0.31 0.45 120.40 125.81 2dn8 s VAL 50 Ca 0.00 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.17 2dn8 s VAL 50 Cb -0.18 -0.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 2dn8 s VAL 50 CO -0.00 -0.11 0.05 0.23 -3.33 0.00 0.00 175.10 171.93 2dn8 n MET 51 N 1.94 -2.21 -1.04 1.54 2.81 -1.26 0.14 117.12 119.03 2dn8 n MET 51 Ca -0.19 0.74 -0.02 0.00 -1.81 0.00 0.00 57.70 56.43 2dn8 n MET 51 Cb 0.55 -5.38 -0.01 0.00 -0.71 0.00 0.00 33.22 27.68 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 -0.85 -4.35 0.03 5.02 -1.26 -4.98 118.16 108.81 2dn8 n LYS 52 Ca -0.17 0.32 -0.27 0.00 -2.02 0.00 0.00 58.31 56.17 2dn8 n LYS 52 Cb 0.63 -4.02 -0.11 0.00 -0.02 0.00 0.00 35.03 31.51 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 -1.20 1.80 -0.15 1.97 -1.94 0.37 -5.12 119.30 115.02 2dn8 s MET 53 Ca 0.00 -1.37 -0.12 0.00 -1.71 0.00 0.00 55.69 52.49 2dn8 s MET 53 Cb 0.00 -2.02 -0.05 0.00 2.01 0.00 0.00 34.83 34.77 2dn8 s MET 53 CO 0.00 0.42 0.24 0.42 -0.01 0.00 0.00 175.02 176.09 2dn8 s ILE 54 N -1.64 5.34 -0.01 2.53 -1.09 -1.26 0.11 121.20 125.18 2dn8 s ILE 54 Ca 0.22 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 2dn8 s ILE 54 Cb -0.09 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 2dn8 s ILE 54 CO 0.12 0.46 -0.13 -0.04 -1.23 0.00 0.00 174.94 174.12 2dn8 s MET 55 N 0.06 1.05 0.30 2.79 -1.94 0.42 -4.95 119.30 117.03 2dn8 s MET 55 Ca 0.15 -0.45 -0.23 0.00 -1.71 0.00 0.00 55.69 53.45 2dn8 s MET 55 Cb -0.13 -1.00 -0.09 0.00 2.01 0.00 0.00 34.83 35.62 2dn8 s MET 55 CO 0.03 0.26 0.86 0.99 -0.01 0.00 0.00 175.02 177.15 2dn8 s THR 56 N -0.25 4.38 -0.20 2.05 2.01 -1.26 0.11 115.64 122.48 2dn8 s THR 56 Ca 0.04 1.56 -0.03 0.00 0.31 0.00 0.00 61.69 63.56 2dn8 s THR 56 Cb -0.05 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2dn8 s THR 56 CO -0.00 0.09 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.20 2dn8 s LEU 57 N -2.22 2.94 0.39 4.42 1.43 0.48 -4.84 118.68 121.27 2dn8 s LEU 57 Ca 0.50 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2dn8 s LEU 57 Cb -0.16 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2dn8 s LEU 57 CO 0.21 0.04 0.31 0.20 0.23 0.00 0.00 176.35 177.34 2dn8 s ASN 58 N 1.12 5.00 -0.11 2.29 0.01 -1.26 -1.18 114.94 120.81 2dn8 s ASN 58 Ca 0.02 -0.72 -0.17 0.00 -0.71 0.00 0.00 52.86 51.27 2dn8 s ASN 58 Cb -0.15 -0.68 -0.04 0.00 0.41 0.00 0.00 41.25 40.80 2dn8 s ASN 58 CO -0.01 -0.53 0.45 0.68 -1.51 0.00 0.00 177.10 176.19 2dn8 s VAL 59 N -2.44 5.18 0.46 1.60 -7.23 -1.02 -4.87 120.40 112.09 2dn8 s VAL 59 Ca 0.44 0.90 0.12 0.00 -1.81 0.00 0.00 61.98 61.63 2dn8 s VAL 59 Cb -0.03 -3.79 0.28 0.00 0.56 0.00 0.00 36.38 33.40 2dn8 s VAL 59 CO 0.26 0.36 2.09 1.56 -0.31 0.00 0.00 175.10 179.06 2dn8 h GLN 60 N 6.54 0.29 -2.23 4.82 1.08 -1.94 -3.01 115.11 120.66 2dn8 h GLN 60 Ca -0.42 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 56.72 2dn8 h GLN 60 Cb 1.18 -0.07 -0.23 0.00 -0.05 0.00 0.00 27.48 28.32 2dn8 h GLN 60 CO 0.74 0.19 -0.06 -1.21 -0.95 0.00 0.00 178.83 177.55 2dn8 s GLU 61 N -5.30 0.64 0.49 1.46 2.02 -1.26 -4.83 118.70 111.92 2dn8 s GLU 61 Ca -0.07 1.01 -0.15 0.00 0.02 0.00 0.00 54.97 55.78 2dn8 s GLU 61 Cb 0.17 0.17 -0.12 0.00 0.10 0.00 0.00 34.13 34.45 2dn8 s GLU 61 CO 0.71 -0.13 -0.21 2.89 0.02 0.00 0.00 175.26 178.54 2dn8 n ARG 62 N 3.80 0.00 0.00 1.61 1.85 -1.26 -4.75 116.66 117.91 2dn8 n ARG 62 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2dn8 n ARG 62 Cb 0.57 -0.81 0.00 0.00 -1.05 0.00 0.00 32.46 31.17 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 2.19 -0.58 2.75 2.89 0.00 -1.17 -4.53 105.19 106.74 2dn8 n GLY 63 Ca 0.05 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.48 0.44 0.30 1.61 0.52 -1.23 -2.78 118.95 116.33 2dn8 s ARG 64 Ca 0.00 0.17 -0.20 0.00 -0.52 0.00 0.00 55.73 55.18 2dn8 s ARG 64 Cb 0.00 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 2dn8 s ARG 64 CO 0.00 -0.30 0.81 0.08 0.02 0.00 0.00 175.30 175.91 2dn8 s VAL 65 N 1.98 4.50 0.10 3.52 1.01 0.18 -2.23 120.40 129.47 2dn8 s VAL 65 Ca 0.04 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 2dn8 s VAL 65 Cb -0.12 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2dn8 s VAL 65 CO -0.05 -0.00 -0.01 -0.75 0.00 0.00 0.00 175.10 174.30 2dn8 s LYS 66 N -2.47 0.81 -0.34 2.72 2.20 -0.71 -2.07 119.74 119.88 2dn8 s LYS 66 Ca 0.51 -1.34 -0.24 0.00 -0.36 0.00 0.00 55.97 54.54 2dn8 s LYS 66 Cb -0.14 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2dn8 s LYS 66 CO 0.19 -0.14 0.81 -0.47 -0.36 0.00 0.00 175.35 175.38 2dn8 s TYR 67 N -3.87 3.15 0.00 4.03 5.04 -1.26 -3.33 117.35 121.10 2dn8 s TYR 67 Ca 0.15 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 2dn8 s TYR 67 Cb 0.07 -3.36 -0.00 0.00 0.35 0.00 0.00 41.96 39.02 2dn8 s TYR 67 CO -0.04 -0.67 -0.01 -0.89 -1.34 0.00 0.00 175.55 172.60 2dn8 n ILE 68 N 5.70 0.14 -3.24 3.14 2.08 -1.26 -4.93 119.36 121.00 2dn8 n ILE 68 Ca 0.04 0.19 -0.38 0.00 0.56 0.00 0.00 62.75 63.16 2dn8 n ILE 68 Cb 0.48 -1.25 -0.06 0.00 -0.75 0.00 0.00 39.64 38.07 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 -1.14 4.34 0.49 0.38 -0.14 -0.94 -5.03 119.74 117.70 2dn8 s LYS 69 Ca -0.01 0.61 -0.22 0.00 -1.36 0.00 0.00 55.97 55.00 2dn8 s LYS 69 Cb 0.00 -3.41 -0.09 0.00 -1.68 0.00 0.00 37.83 32.65 2dn8 s LYS 69 CO 0.02 0.21 0.87 0.54 -0.76 0.00 0.00 175.35 176.23 2dn8 n ARG 70 N 3.38 1.02 -2.39 1.68 1.74 -1.26 -4.87 116.66 115.95 2dn8 n ARG 70 Ca -0.06 0.38 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 2dn8 n ARG 70 Cb 0.51 -1.96 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.15 4.09 0.00 5.56 0.04 -1.26 -2.98 135.00 138.30 2dn8 s PRO 71 Ca 0.67 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2dn8 s PRO 71 Cb -0.51 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2dn8 s PRO 71 CO 0.54 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2dn8 n GLY 72 N 3.93 1.02 3.72 0.56 0.00 0.25 -4.88 105.19 109.80 2dn8 n GLY 72 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.89 1.24 -0.33 4.61 0.00 -1.16 -4.75 121.76 119.49 2dn8 s ALA 73 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 2dn8 s ALA 73 Cb 0.00 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2dn8 s ALA 73 CO 0.00 -3.05 0.37 0.54 0.00 0.00 0.00 175.76 173.62 2dn8 s VAL 74 N -3.29 5.16 0.14 0.00 0.11 -1.26 -1.73 120.40 119.52 2dn8 s VAL 74 Ca 0.71 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.63 2dn8 s VAL 74 Cb -0.09 -3.80 -0.07 0.00 -1.53 0.00 0.00 36.38 30.89 2dn8 s VAL 74 CO 0.55 -0.04 0.94 -0.76 -3.33 0.00 0.00 175.10 172.45 2dn8 s LEU 75 N 2.05 4.53 0.08 2.54 2.01 0.19 -4.89 118.68 125.19 2dn8 s LEU 75 Ca 0.13 1.80 0.03 0.00 0.01 0.00 0.00 54.13 56.11 2dn8 s LEU 75 Cb -0.16 -3.56 -0.03 0.00 0.01 0.00 0.00 46.19 42.45 2dn8 s LEU 75 CO 0.11 0.00 -0.10 -1.61 1.01 0.00 0.00 176.35 175.76 2dn8 s GLU 76 N -0.32 0.75 0.22 1.70 2.02 -1.26 -0.24 118.70 121.56 2dn8 s GLU 76 Ca 0.45 -1.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.11 2dn8 s GLU 76 Cb -0.24 -0.51 -0.11 0.00 0.10 0.00 0.00 34.13 33.37 2dn8 s GLU 76 CO 0.30 0.09 1.64 0.00 0.02 0.00 0.00 175.26 177.30 2dn8 s ALA 77 N -1.95 3.84 -0.76 5.21 0.00 -1.26 -3.02 121.76 123.82 2dn8 s ALA 77 Ca -0.00 1.51 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 2dn8 s ALA 77 Cb -0.06 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2dn8 s ALA 77 CO 0.00 -0.89 0.66 0.41 0.00 0.00 0.00 175.76 175.95 2dn8 n GLY 78 N 3.43 -0.56 3.25 0.00 0.00 -0.64 -4.95 105.19 105.71 2dn8 n GLY 78 Ca 0.13 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.86 5.23 0.04 0.00 0.11 -1.26 0.32 120.40 120.98 2dn8 s VAL 80 Ca 0.39 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 2dn8 s VAL 80 Cb 0.05 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2dn8 s VAL 80 CO 0.17 0.33 0.00 0.52 -3.33 0.00 0.00 175.10 172.79 2dn8 n VAL 81 N 1.01 0.39 -4.34 2.04 0.31 -0.64 -4.85 118.33 112.25 2dn8 n VAL 81 Ca -0.10 0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 2dn8 n VAL 81 Cb 0.53 -1.12 -0.07 0.00 -0.91 0.00 0.00 33.84 32.26 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 -2.84 0.66 -2.61 3.52 0.00 -1.23 -2.21 120.51 115.79 2dn8 n ALA 82 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 53.44 51.19 2dn8 n ALA 82 Cb 0.00 1.48 -0.10 0.00 0.00 0.00 0.00 19.45 20.83 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 -3.37 2.61 -0.24 0.00 6.06 -1.21 -1.85 118.95 120.94 2dn8 s ARG 83 Ca 0.33 -0.69 0.01 0.00 -2.50 0.00 0.00 55.73 52.88 2dn8 s ARG 83 Cb 0.02 -2.54 0.06 0.00 0.06 0.00 0.00 34.95 32.55 2dn8 s ARG 83 CO 0.24 0.61 -0.04 -0.51 -2.50 0.00 0.00 175.30 173.10 2dn8 s LEU 84 N -1.39 2.52 -0.82 -0.88 1.43 0.90 -1.73 118.68 118.70 2dn8 s LEU 84 Ca 0.17 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 51.89 2dn8 s LEU 84 Cb -0.11 -1.14 0.12 0.00 0.03 0.00 0.00 46.19 45.09 2dn8 s LEU 84 CO 0.07 -0.25 1.00 -0.70 0.23 0.00 0.00 176.35 176.71 2dn8 s GLU 85 N 1.42 3.42 -0.40 1.70 -6.30 -0.95 -4.23 118.70 113.37 2dn8 s GLU 85 Ca -0.05 -1.58 -0.43 0.00 -2.50 0.00 0.00 54.97 50.41 2dn8 s GLU 85 Cb -0.19 -4.64 -0.17 0.00 0.00 0.00 0.00 34.13 29.13 2dn8 s GLU 85 CO -0.07 -1.70 1.80 1.28 0.02 0.00 0.00 175.26 176.59 2dn8 n LEU 86 N 6.51 1.67 -0.05 2.70 4.77 -1.26 -3.53 117.00 127.80 2dn8 n LEU 86 Ca 0.13 0.99 0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2dn8 n LEU 86 Cb 0.47 -1.02 0.24 0.00 -2.33 0.00 0.00 43.42 40.78 2dn8 n LEU 86 CO 0.53 -0.66 0.45 -0.90 -1.33 0.00 0.00 177.39 175.47 2dn8 n ASP 87 N 5.64 0.66 -3.34 -1.43 5.68 -1.26 -4.39 116.55 118.10 2dn8 n ASP 87 Ca 0.34 -0.44 -0.26 0.00 -0.50 0.00 0.00 54.79 53.93 2dn8 n ASP 87 Cb 0.04 0.29 -0.09 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.33 0.49 -4.13 -1.12 -0.08 -1.26 -5.11 116.55 104.02 2dn8 n ASP 88 Ca 0.07 -2.68 -0.30 0.00 -1.51 0.00 0.00 54.79 50.36 2dn8 n ASP 88 Cb 0.34 -0.62 0.20 0.00 2.34 0.00 0.00 41.12 43.38 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 -0.86 -0.02 0.00 -0.67 0.04 -1.26 -4.95 135.00 127.28 2dn8 s PRO 89 Ca 0.34 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2dn8 s PRO 89 Cb 0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2dn8 s PRO 89 CO -0.14 -2.90 0.00 0.45 0.04 0.00 0.00 177.00 174.45 2dn8 n SER 90 N -4.17 0.00 -4.41 6.66 2.88 -1.26 -5.03 113.62 108.29 2dn8 n SER 90 Ca 0.13 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.24 2dn8 n SER 90 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2dn8 n SER 90 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dn8 n LYS 91 N 0.00 3.16 -3.56 -1.46 5.02 -1.26 -4.85 118.16 115.20 2dn8 n LYS 91 Ca 0.00 -3.21 -0.39 0.00 -2.02 0.00 0.00 58.31 52.69 2dn8 n LYS 91 Cb 0.00 -3.42 -0.05 0.00 -0.02 0.00 0.00 35.03 31.54 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dn8 s VAL 92 N 3.77 4.66 0.49 -0.18 1.01 -1.26 -4.99 120.40 123.90 2dn8 s VAL 92 Ca 0.52 -3.39 0.00 0.00 0.00 0.00 0.00 61.98 59.11 2dn8 s VAL 92 Cb 0.05 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2dn8 s VAL 92 CO 0.04 -1.05 0.00 1.41 0.00 0.00 0.00 175.10 175.51 2dn8 n HIS 93 N 2.89 -3.40 -1.95 5.22 8.25 -1.26 -4.90 115.22 120.07 2dn8 n HIS 93 Ca 0.18 1.85 -0.32 0.00 -0.26 0.00 0.00 57.72 59.16 2dn8 n HIS 93 Cb 0.39 -2.98 0.02 0.00 1.12 0.00 0.00 29.99 28.53 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dn8 s PRO 94 N -4.88 3.27 0.00 -0.41 0.04 -1.26 -5.04 135.00 126.71 2dn8 s PRO 94 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2dn8 s PRO 94 Cb 0.00 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dn8 s PRO 94 CO 0.00 -0.84 0.00 0.43 0.04 0.00 0.00 177.00 176.63 2dn8 n SER 95 N -2.29 0.00 -3.87 6.66 7.64 -1.26 -5.19 113.62 115.31 2dn8 n SER 95 Ca 0.08 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 2dn8 n SER 95 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2dn8 n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dn8 s GLY 96 N 0.00 0.10 0.84 0.23 0.00 -1.26 -5.13 107.32 102.10 2dn8 s GLY 96 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 44.72 44.07 2dn8 s GLY 96 CO 0.00 -0.70 1.11 2.56 0.00 0.00 0.00 173.10 176.07 2dn8 s PRO 97 N -3.29 1.74 -0.16 2.90 0.04 -1.26 -5.05 135.00 129.92 2dn8 s PRO 97 Ca 0.01 0.50 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 2dn8 s PRO 97 Cb 0.02 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2dn8 s PRO 97 CO -0.08 -1.83 0.04 0.45 0.04 0.00 0.00 177.00 175.62 2dn8 s SER 98 N -3.96 5.49 -0.24 6.66 0.15 -1.26 -5.03 113.70 115.50 2dn8 s SER 98 Ca 0.62 0.09 -0.31 0.00 0.70 0.00 0.00 55.95 57.05 2dn8 s SER 98 Cb -0.14 -1.86 -0.08 0.00 -1.71 0.00 0.00 66.02 62.23 2dn8 s SER 98 CO 0.54 0.23 2.18 -1.20 1.20 0.00 0.00 173.24 176.18 2dn8 n SER 99 N 3.18 2.94 0.00 5.45 7.64 -1.26 -5.38 113.62 126.18 2dn8 n SER 99 Ca -0.17 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2dn8 n SER 99 Cb 0.53 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64