#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 n SER 2 N 0.00 1.90 -3.99 1.61 2.88 -1.26 -4.97 113.62 109.80 2dm8 n SER 2 Ca 0.00 0.39 -0.17 0.00 -1.33 0.00 0.00 58.87 57.76 2dm8 n SER 2 Cb 0.00 -0.94 -0.14 0.00 -0.75 0.00 0.00 64.21 62.38 2dm8 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dm8 s SER 3 N -6.93 0.78 -0.04 -3.46 1.04 -1.26 -5.08 113.70 98.75 2dm8 s SER 3 Ca -0.29 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.96 2dm8 s SER 3 Cb 0.07 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2dm8 s SER 3 CO 0.60 0.06 -0.06 0.61 0.98 0.00 0.00 173.24 175.44 2dm8 n GLY 4 N 2.82 -0.64 3.43 7.32 0.00 -1.26 -4.93 105.19 111.93 2dm8 n GLY 4 Ca -0.14 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm8 s SER 5 N -4.20 4.69 -0.05 1.61 0.15 -1.26 -5.10 113.70 109.54 2dm8 s SER 5 Ca -0.05 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2dm8 s SER 5 Cb 0.01 -1.79 0.01 0.00 -1.71 0.00 0.00 66.02 62.53 2dm8 s SER 5 CO 0.07 0.07 -0.13 -0.94 1.20 0.00 0.00 173.24 173.51 2dm8 s SER 6 N 0.95 1.77 0.08 5.45 1.04 -1.26 -5.14 113.70 116.59 2dm8 s SER 6 Ca 0.01 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.22 2dm8 s SER 6 Cb -0.14 -0.70 -0.04 0.00 0.10 0.00 0.00 66.02 65.24 2dm8 s SER 6 CO 0.01 0.07 -0.17 -0.83 0.98 0.00 0.00 173.24 173.30 2dm8 s GLY 7 N 0.45 1.65 0.28 7.32 0.00 -1.26 -5.01 107.32 110.75 2dm8 s GLY 7 Ca -0.10 -1.25 0.24 0.00 0.00 0.00 0.00 44.72 43.61 2dm8 s GLY 7 CO 0.03 -1.19 1.73 -0.56 0.00 0.00 0.00 173.10 173.11 2dm8 h PRO 8 N 4.12 0.00 -6.68 2.90 0.13 -1.98 -3.42 132.00 127.06 2dm8 h PRO 8 Ca -0.49 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 2dm8 h PRO 8 Cb 1.16 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.32 2dm8 h PRO 8 CO 0.48 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.13 2dm8 s ALA 9 N -3.35 3.93 -1.86 -0.56 0.00 -1.26 -3.78 121.76 114.88 2dm8 s ALA 9 Ca 0.04 -1.25 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 2dm8 s ALA 9 Cb 0.09 -2.02 0.22 0.00 0.00 0.00 0.00 23.12 21.41 2dm8 s ALA 9 CO 0.40 -0.46 0.60 0.25 0.00 0.00 0.00 175.76 176.54 2dm8 n THR 10 N -2.10 -0.14 -3.91 0.00 -2.24 -1.26 -4.90 114.28 99.72 2dm8 n THR 10 Ca 0.04 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 2dm8 n THR 10 Cb 0.59 -0.64 -0.13 0.00 -2.10 0.00 0.00 70.33 68.05 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 s PRO 12 N -0.52 -0.79 -0.23 0.00 0.04 -1.26 -5.03 135.00 127.21 2dm8 s PRO 12 Ca -0.06 0.10 -0.06 0.00 0.04 0.00 0.00 61.00 61.02 2dm8 s PRO 12 Cb -0.04 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.85 2dm8 s PRO 12 CO -0.00 -3.45 0.03 0.42 0.04 0.00 0.00 177.00 174.03 2dm8 s ILE 13 N -2.99 4.00 0.00 0.56 1.01 -1.26 -5.05 121.20 117.47 2dm8 s ILE 13 Ca 0.69 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.87 2dm8 s ILE 13 Cb -0.12 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.44 2dm8 s ILE 13 CO 0.57 0.38 0.55 -0.69 0.00 0.00 0.00 174.94 175.74 2dm8 s VAL 14 N 1.46 4.92 1.02 2.92 1.01 -1.26 -5.06 120.40 125.40 2dm8 s VAL 14 Ca 0.05 1.15 -0.13 0.00 0.00 0.00 0.00 61.98 63.06 2dm8 s VAL 14 Cb -0.15 -3.88 0.20 0.00 0.00 0.00 0.00 36.38 32.55 2dm8 s VAL 14 CO 0.01 0.46 1.09 -2.16 0.00 0.00 0.00 175.10 174.51 2dm8 s PRO 15 N -0.43 0.29 -0.22 2.72 0.04 -1.26 -3.52 135.00 132.62 2dm8 s PRO 15 Ca 0.29 0.48 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 2dm8 s PRO 15 Cb -0.18 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.67 2dm8 s PRO 15 CO 0.16 -2.82 0.07 0.41 0.04 0.00 0.00 177.00 174.86 2dm8 n GLY 16 N -1.05 -0.37 3.04 0.56 0.00 0.14 -4.81 105.19 102.68 2dm8 n GLY 16 Ca 0.05 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2dm8 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dm8 s GLN 17 N -4.12 0.17 -0.83 1.61 -0.21 -1.23 -5.04 119.66 110.01 2dm8 s GLN 17 Ca 0.10 0.78 -0.25 0.00 0.02 0.00 0.00 55.36 56.01 2dm8 s GLN 17 Cb -0.06 -0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.91 2dm8 s GLN 17 CO 0.12 -0.29 1.91 -1.21 -2.12 0.00 0.00 175.29 173.70 2dm8 s GLU 18 N 2.45 2.61 0.27 2.91 2.02 -1.26 -4.60 118.70 123.09 2dm8 s GLU 18 Ca 0.01 -0.09 0.03 0.00 0.02 0.00 0.00 54.97 54.94 2dm8 s GLU 18 Cb -0.12 -4.90 -0.03 0.00 0.10 0.00 0.00 34.13 29.18 2dm8 s GLU 18 CO -0.09 -3.18 0.43 0.00 0.02 0.00 0.00 175.26 172.44 2dm8 s MET 19 N 6.95 3.46 0.04 1.61 0.23 -1.03 -4.93 119.30 125.63 2dm8 s MET 19 Ca 0.68 -0.57 0.05 0.00 -1.03 0.00 0.00 55.69 54.82 2dm8 s MET 19 Cb -0.08 -2.81 -0.04 0.00 -1.53 0.00 0.00 34.83 30.38 2dm8 s MET 19 CO 0.04 0.33 -0.07 0.42 -2.03 0.00 0.00 175.02 173.71 2dm8 s ILE 20 N -2.08 3.57 -0.04 3.16 1.09 -1.26 -1.26 121.20 124.37 2dm8 s ILE 20 Ca 0.36 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 59.00 2dm8 s ILE 20 Cb -0.09 -2.59 0.01 0.00 -1.06 0.00 0.00 42.46 38.72 2dm8 s ILE 20 CO 0.31 0.30 -0.08 0.27 -0.10 0.00 0.00 174.94 175.64 2dm8 s ILE 21 N -1.08 0.79 -0.19 2.92 -4.36 0.41 -4.51 121.20 115.17 2dm8 s ILE 21 Ca 0.19 -0.31 -0.03 0.00 -0.26 0.00 0.00 60.65 60.24 2dm8 s ILE 21 Cb -0.11 -0.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.85 2dm8 s ILE 21 CO 0.10 0.26 -0.07 -0.70 0.24 0.00 0.00 174.94 174.78 2dm8 s GLU 22 N 0.54 3.41 -0.06 0.37 -6.30 -1.25 -1.53 118.70 113.88 2dm8 s GLU 22 Ca -0.09 -0.63 0.05 0.00 -2.50 0.00 0.00 54.97 51.80 2dm8 s GLU 22 Cb -0.12 -2.89 -0.00 0.00 0.00 0.00 0.00 34.13 31.12 2dm8 s GLU 22 CO 0.01 -0.03 -0.21 0.42 0.02 0.00 0.00 175.26 175.47 2dm8 s ILE 23 N 1.02 1.76 -0.11 -3.70 1.01 0.34 -4.68 121.20 116.85 2dm8 s ILE 23 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 2dm8 s ILE 23 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 2dm8 s ILE 23 CO -0.00 0.50 0.59 -0.55 0.00 0.00 0.00 174.94 175.47 2dm8 s SER 24 N 0.05 6.80 0.31 3.58 0.15 -1.26 -0.77 113.70 122.57 2dm8 s SER 24 Ca -0.07 0.96 0.26 0.00 0.70 0.00 0.00 55.95 57.79 2dm8 s SER 24 Cb -0.14 -2.34 1.04 0.00 -1.71 0.00 0.00 66.02 62.87 2dm8 s SER 24 CO 0.04 -0.09 1.77 0.11 1.20 0.00 0.00 173.24 176.27 2dm8 h LYS 25 N 6.87 0.00 0.00 5.44 1.57 -0.80 -3.46 116.57 126.19 2dm8 h LYS 25 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 2dm8 h LYS 25 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2dm8 h LYS 25 CO 0.76 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.05 2dm8 n GLY 26 N 0.09 0.23 1.21 3.86 0.00 -1.26 -3.26 105.19 106.06 2dm8 n GLY 26 Ca 0.02 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2dm8 n GLY 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dm8 n ARG 27 N 0.00 0.00 -2.21 1.61 3.00 -1.26 -5.09 116.66 112.71 2dm8 n ARG 27 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 2dm8 n ARG 27 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 32.46 32.34 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dm8 s SER 28 N -5.04 6.48 1.33 6.15 0.15 -1.20 -5.05 113.70 116.50 2dm8 s SER 28 Ca 0.00 1.52 -0.21 0.00 0.70 0.00 0.00 55.95 57.96 2dm8 s SER 28 Cb 0.00 -2.50 0.33 0.00 -1.71 0.00 0.00 66.02 62.15 2dm8 s SER 28 CO 0.00 -0.69 1.00 -0.83 1.20 0.00 0.00 173.24 173.92 2dm8 s GLY 29 N -3.46 1.49 0.97 9.45 0.00 -1.26 -4.62 107.32 109.89 2dm8 s GLY 29 Ca 0.58 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 2dm8 s GLY 29 CO 0.39 0.11 1.09 1.08 0.00 0.00 0.00 173.10 175.77 2dm8 s LEU 30 N -7.47 2.01 -0.43 0.66 1.43 -1.26 -3.63 118.68 109.98 2dm8 s LEU 30 Ca 0.70 1.64 0.08 0.00 -1.03 0.00 0.00 54.13 55.52 2dm8 s LEU 30 Cb -0.12 -3.92 0.27 0.00 0.03 0.00 0.00 46.19 42.44 2dm8 s LEU 30 CO 0.57 -3.15 0.60 0.61 0.23 0.00 0.00 176.35 175.22 2dm8 n GLY 31 N -0.34 3.39 2.85 -3.19 0.00 -1.26 -4.71 105.19 101.92 2dm8 n GLY 31 Ca 0.07 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 2dm8 n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dm8 n LEU 32 N 1.09 0.00 -3.88 0.99 -0.00 -1.26 0.11 117.00 114.06 2dm8 n LEU 32 Ca 0.23 -2.74 -0.11 0.00 -0.00 0.00 0.00 56.01 53.40 2dm8 n LEU 32 Cb 0.52 1.61 -0.09 0.00 -0.00 0.00 0.00 43.42 45.46 2dm8 n LEU 32 CO 0.23 -0.48 -0.16 -0.55 -0.00 0.00 0.00 177.39 176.42 2dm8 s SER 33 N -3.03 0.06 0.34 1.45 0.15 0.59 -4.85 113.70 108.42 2dm8 s SER 33 Ca 0.34 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.71 2dm8 s SER 33 Cb 0.01 0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 64.49 2dm8 s SER 33 CO 0.24 -0.45 0.02 0.27 1.20 0.00 0.00 173.24 174.52 2dm8 s ILE 34 N -1.98 1.51 -0.22 6.45 -4.36 -1.26 -2.20 121.20 119.13 2dm8 s ILE 34 Ca -0.10 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.05 2dm8 s ILE 34 Cb -0.04 -2.80 0.06 0.00 1.25 0.00 0.00 42.46 40.93 2dm8 s ILE 34 CO -0.01 -0.05 0.62 0.68 0.24 0.00 0.00 174.94 176.42 2dm8 s VAL 35 N -3.07 0.00 0.00 8.37 -7.23 0.20 -4.69 120.40 113.98 2dm8 s VAL 35 Ca 0.35 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2dm8 s VAL 35 Cb 0.08 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.15 2dm8 s VAL 35 CO 0.16 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2dm8 n GLY 36 N 2.63 0.38 3.76 2.32 0.00 -1.26 -2.09 105.19 110.93 2dm8 n GLY 36 Ca -0.14 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2dm8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm8 n GLY 37 N 0.00 0.63 3.94 -0.02 0.00 -0.84 -3.81 105.19 105.09 2dm8 n GLY 37 Ca 0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 s LYS 38 N 0.00 2.16 0.00 1.61 -0.14 -1.23 -4.03 119.74 118.11 2dm8 s LYS 38 Ca 0.00 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.27 2dm8 s LYS 38 Cb 0.00 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 2dm8 s LYS 38 CO 0.00 -1.24 0.00 -0.25 -0.76 0.00 0.00 175.35 173.10 2dm8 n ASP 39 N -2.89 -0.71 -4.38 2.83 8.00 -1.26 -4.54 116.55 113.59 2dm8 n ASP 39 Ca 0.09 0.36 -0.21 0.00 0.71 0.00 0.00 54.79 55.73 2dm8 n ASP 39 Cb 0.60 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.75 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dm8 s THR 40 N -1.70 1.98 -2.00 -3.53 -4.23 -1.26 -5.01 115.64 99.89 2dm8 s THR 40 Ca 0.00 -2.19 0.12 0.00 -1.18 0.00 0.00 61.69 58.43 2dm8 s THR 40 Cb 0.00 -2.07 0.34 0.00 1.34 0.00 0.00 72.50 72.11 2dm8 s THR 40 CO 0.00 -0.47 1.14 -0.81 -0.54 0.00 0.00 174.62 173.94 2dm8 n PRO 41 N -0.27 0.49 -3.61 3.99 -0.04 -1.26 -4.46 135.00 129.83 2dm8 n PRO 41 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2dm8 n PRO 41 Cb 0.59 -1.38 -0.16 0.00 -0.04 0.00 0.00 33.50 32.51 2dm8 n PRO 41 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2dm8 s LEU 42 N -1.76 0.09 -0.01 1.53 2.34 -1.26 -5.00 118.68 114.61 2dm8 s LEU 42 Ca 0.18 -0.13 0.01 0.00 0.06 0.00 0.00 54.13 54.25 2dm8 s LEU 42 Cb 0.08 0.05 0.06 0.00 -0.56 0.00 0.00 46.19 45.82 2dm8 s LEU 42 CO 0.14 -0.30 0.80 0.59 -1.06 0.00 0.00 176.35 176.52 2dm8 n ASN 43 N 5.30 0.87 -4.04 1.48 3.02 -1.26 -1.98 115.26 118.65 2dm8 n ASN 43 Ca -0.05 -2.04 -0.29 0.00 -0.03 0.00 0.00 54.58 52.17 2dm8 n ASN 43 Cb 0.50 -0.29 -0.17 0.00 -0.61 0.00 0.00 39.78 39.21 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dm8 s ALA 44 N -1.50 1.70 0.04 5.41 0.00 -1.26 -4.61 121.76 121.54 2dm8 s ALA 44 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 2dm8 s ALA 44 Cb 0.03 -0.87 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 2dm8 s ALA 44 CO 0.02 -0.15 1.76 0.42 0.00 0.00 0.00 175.76 177.82 2dm8 s ILE 45 N 1.11 3.10 0.08 0.00 -1.09 -1.24 -4.45 121.20 118.70 2dm8 s ILE 45 Ca -0.04 0.35 0.09 0.00 -2.23 0.00 0.00 60.65 58.82 2dm8 s ILE 45 Cb -0.14 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.47 2dm8 s ILE 45 CO -0.03 -0.02 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.76 2dm8 s VAL 46 N 3.51 2.64 -0.62 2.92 1.01 -0.89 -0.22 120.40 128.75 2dm8 s VAL 46 Ca 0.79 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2dm8 s VAL 46 Cb -0.40 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 33.93 2dm8 s VAL 46 CO 0.35 0.23 0.82 -0.63 0.00 0.00 0.00 175.10 175.86 2dm8 s ILE 47 N -1.00 4.59 0.07 2.22 1.01 -0.93 -0.62 121.20 126.54 2dm8 s ILE 47 Ca 0.15 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 59.78 2dm8 s ILE 47 Cb -0.10 -4.57 -0.18 0.00 0.01 0.00 0.00 42.46 37.61 2dm8 s ILE 47 CO 0.06 -1.27 1.61 -0.74 0.00 0.00 0.00 174.94 174.60 2dm8 h HIS 48 N 9.35 -1.01 -3.41 3.97 -0.00 -1.72 -1.59 115.15 120.74 2dm8 h HIS 48 Ca -0.29 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 59.93 2dm8 h HIS 48 Cb 1.08 0.35 -0.20 0.00 -0.00 0.00 0.00 27.41 28.64 2dm8 h HIS 48 CO 0.89 -0.59 -0.43 -2.00 -0.00 0.00 0.00 177.93 175.80 2dm8 s GLU 49 N -6.01 0.56 -0.57 5.26 2.12 -1.25 -4.63 118.70 114.18 2dm8 s GLU 49 Ca -0.18 -0.40 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2dm8 s GLU 49 Cb 0.04 0.24 0.14 0.00 0.26 0.00 0.00 34.13 34.81 2dm8 s GLU 49 CO 0.62 -0.14 0.33 0.08 -0.54 0.00 0.00 175.26 175.60 2dm8 s VAL 50 N -1.57 2.57 -0.43 3.70 1.01 -1.26 -0.30 120.40 124.12 2dm8 s VAL 50 Ca -0.13 -3.54 -0.44 0.00 0.00 0.00 0.00 61.98 57.87 2dm8 s VAL 50 Cb -0.06 -2.75 -0.18 0.00 0.00 0.00 0.00 36.38 33.39 2dm8 s VAL 50 CO 0.01 -0.87 1.75 -1.22 0.00 0.00 0.00 175.10 174.77 2dm8 n TYR 51 N 2.80 1.77 0.23 5.22 4.01 0.31 -4.76 117.16 126.74 2dm8 n TYR 51 Ca 0.10 0.86 0.13 0.00 -0.16 0.00 0.00 57.90 58.83 2dm8 n TYR 51 Cb 0.33 -2.33 0.66 0.00 -0.31 0.00 0.00 39.34 37.70 2dm8 n TYR 51 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2dm8 h GLU 52 N 6.62 0.00 -1.64 -0.72 9.09 -1.98 -2.76 114.58 123.19 2dm8 h GLU 52 Ca -0.39 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.57 2dm8 h GLU 52 Cb 1.36 0.00 -0.18 0.00 -1.65 0.00 0.00 28.75 28.28 2dm8 h GLU 52 CO 0.99 0.00 0.50 -0.85 0.05 0.00 0.00 179.01 179.70 2dm8 n GLU 53 N -2.40 2.17 -4.06 1.06 0.28 -1.26 -4.62 120.64 111.81 2dm8 n GLU 53 Ca -0.01 -2.15 -0.10 0.00 -0.16 0.00 0.00 57.16 54.74 2dm8 n GLU 53 Cb 0.09 -1.91 -0.07 0.00 1.43 0.00 0.00 31.44 30.97 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dm8 s GLY 54 N -0.08 0.83 0.14 -1.84 0.00 -1.04 -4.74 107.32 100.59 2dm8 s GLY 54 Ca 0.46 -1.17 -0.17 0.00 0.00 0.00 0.00 44.72 43.84 2dm8 s GLY 54 CO -0.10 -0.94 1.79 0.00 0.00 0.00 0.00 173.10 173.84 2dm8 h ALA 55 N 2.45 0.43 -0.97 3.20 0.00 -1.82 -1.55 119.26 121.01 2dm8 h ALA 55 Ca -0.31 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 54.81 2dm8 h ALA 55 Cb 1.24 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 2dm8 h ALA 55 CO 0.44 -0.09 0.53 0.00 0.00 0.00 0.00 179.25 180.13 2dm8 h ALA 56 N 1.11 1.67 -0.00 0.00 0.00 -1.88 0.12 119.26 120.28 2dm8 h ALA 56 Ca 0.12 0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 2dm8 h ALA 56 Cb -0.03 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2dm8 h ALA 56 CO -0.02 -0.29 -0.96 0.00 0.00 0.00 0.00 179.25 177.97 2dm8 h ALA 57 N 1.72 0.31 -0.17 0.00 0.00 -1.66 -3.11 119.26 116.35 2dm8 h ALA 57 Ca 0.62 -0.70 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2dm8 h ALA 57 Cb 1.17 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dm8 h ALA 57 CO -0.49 0.78 0.48 0.00 0.00 0.00 0.00 179.25 180.02 2dm8 h ARG 58 N 0.28 0.00 0.00 0.00 2.47 0.25 -2.13 114.38 115.25 2dm8 h ARG 58 Ca -0.09 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 2dm8 h ARG 58 Cb 1.60 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.91 2dm8 h ARG 58 CO 0.17 0.00 -0.94 -3.47 0.56 0.00 0.00 179.97 176.29 2dm8 n ASP 59 N -3.10 1.85 0.00 7.04 2.03 -1.10 -5.03 116.55 118.25 2dm8 n ASP 59 Ca 0.02 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2dm8 n ASP 59 Cb 0.58 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2dm8 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm8 n GLY 60 N 1.52 1.04 0.13 0.27 0.00 -0.80 -4.99 105.19 102.35 2dm8 n GLY 60 Ca -0.19 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 2dm8 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 61 N -1.77 0.67 -2.95 1.61 5.12 -1.26 -4.87 116.66 113.22 2dm8 n ARG 61 Ca 0.00 0.24 -0.42 0.00 -1.93 0.00 0.00 57.85 55.75 2dm8 n ARG 61 Cb 0.08 -1.61 -0.05 0.00 -1.16 0.00 0.00 32.46 29.73 2dm8 n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dm8 s LEU 62 N -6.96 4.08 -0.08 0.55 1.43 -1.26 -4.95 118.68 111.49 2dm8 s LEU 62 Ca -0.30 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2dm8 s LEU 62 Cb 0.09 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2dm8 s LEU 62 CO 0.65 -0.54 -0.05 0.26 0.23 0.00 0.00 176.35 176.90 2dm8 s TRP 63 N 2.84 2.98 0.04 0.29 0.51 -1.26 -4.94 118.94 119.41 2dm8 s TRP 63 Ca 0.32 0.04 -0.36 0.00 -2.12 0.00 0.00 56.10 53.98 2dm8 s TRP 63 Cb -0.15 -1.74 -0.15 0.00 -0.81 0.00 0.00 33.47 30.62 2dm8 s TRP 63 CO 0.10 0.34 1.50 0.00 -0.51 0.00 0.00 176.95 178.38 2dm8 n ALA 64 N 2.27 -0.12 0.00 0.98 0.00 -1.26 -2.54 120.51 119.83 2dm8 n ALA 64 Ca -0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2dm8 n ALA 64 Cb 0.53 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2dm8 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm8 n GLY 65 N 3.13 1.22 3.93 0.00 0.00 -0.60 -5.03 105.19 107.85 2dm8 n GLY 65 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2dm8 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm8 s ASP 66 N -2.00 5.79 -0.25 1.61 1.11 -1.05 -4.86 116.67 117.01 2dm8 s ASP 66 Ca 0.00 0.55 0.02 0.00 0.18 0.00 0.00 52.55 53.30 2dm8 s ASP 66 Cb 0.00 -1.70 0.06 0.00 1.07 0.00 0.00 42.92 42.35 2dm8 s ASP 66 CO 0.00 -0.84 -0.08 -1.10 1.18 0.00 0.00 175.17 174.34 2dm8 s GLN 67 N -4.76 1.89 0.42 8.23 -0.21 -1.25 -2.20 119.66 121.78 2dm8 s GLN 67 Ca 0.50 -1.17 -0.16 0.00 0.02 0.00 0.00 55.36 54.56 2dm8 s GLN 67 Cb -0.10 -2.73 -0.09 0.00 1.00 0.00 0.00 33.01 31.09 2dm8 s GLN 67 CO 0.42 -0.59 0.87 0.42 -2.12 0.00 0.00 175.29 174.28 2dm8 s ILE 68 N 1.26 4.58 0.00 1.08 1.01 0.69 -2.07 121.20 127.75 2dm8 s ILE 68 Ca -0.07 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2dm8 s ILE 68 Cb -0.19 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2dm8 s ILE 68 CO -0.06 -0.42 0.00 0.18 0.00 0.00 0.00 174.94 174.64 2dm8 n LEU 69 N -0.93 0.00 -3.52 2.97 4.77 -0.66 -3.73 117.00 115.90 2dm8 n LEU 69 Ca 0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2dm8 n LEU 69 Cb 0.54 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 2dm8 n LEU 69 CO 0.43 0.00 0.29 -0.70 -1.33 0.00 0.00 177.39 176.08 2dm8 s GLU 70 N -1.79 1.18 -0.13 3.23 2.12 -1.25 -2.25 118.70 119.82 2dm8 s GLU 70 Ca 0.00 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 2dm8 s GLU 70 Cb 0.00 0.53 0.04 0.00 0.26 0.00 0.00 34.13 34.97 2dm8 s GLU 70 CO 0.00 -0.49 0.33 0.54 -0.54 0.00 0.00 175.26 175.10 2dm8 s VAL 71 N -3.76 -0.01 -1.17 3.70 0.11 -0.91 -2.02 120.40 116.34 2dm8 s VAL 71 Ca 0.02 0.05 -0.14 0.00 -2.93 0.00 0.00 61.98 58.98 2dm8 s VAL 71 Cb 0.00 -0.48 0.14 0.00 -1.53 0.00 0.00 36.38 34.51 2dm8 s VAL 71 CO -0.12 0.02 0.39 -3.20 -3.33 0.00 0.00 175.10 168.85 2dm8 n ASN 72 N 3.45 -1.81 -1.92 3.54 2.85 0.65 0.93 115.26 122.94 2dm8 n ASN 72 Ca -0.18 -0.55 -0.10 0.00 -0.11 0.00 0.00 54.58 53.65 2dm8 n ASN 72 Cb 0.56 -1.60 0.04 0.00 1.24 0.00 0.00 39.78 40.02 2dm8 n ASN 72 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dm8 n GLY 73 N -0.89 0.24 2.65 8.20 0.00 -1.26 -5.04 105.19 109.09 2dm8 n GLY 73 Ca 0.06 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2dm8 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm8 s VAL 74 N -3.15 -0.17 0.16 1.61 1.01 0.26 -5.12 120.40 115.01 2dm8 s VAL 74 Ca 0.19 -0.21 -0.33 0.00 0.00 0.00 0.00 61.98 61.63 2dm8 s VAL 74 Cb -0.09 -0.65 -0.16 0.00 0.00 0.00 0.00 36.38 35.49 2dm8 s VAL 74 CO 0.32 -0.30 1.24 -0.67 0.00 0.00 0.00 175.10 175.69 2dm8 n ASP 75 N 5.29 1.61 -0.01 3.32 2.03 -1.26 -2.13 116.55 125.40 2dm8 n ASP 75 Ca -0.06 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.39 2dm8 n ASP 75 Cb 0.48 -1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 39.62 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dm8 n LEU 76 N 2.17 0.00 0.30 -2.67 4.77 -0.95 -4.16 117.00 116.46 2dm8 n LEU 76 Ca 0.15 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 2dm8 n LEU 76 Cb 0.24 0.03 0.54 0.00 -2.33 0.00 0.00 43.42 41.90 2dm8 n LEU 76 CO 0.61 0.03 1.03 0.03 -1.33 0.00 0.00 177.39 177.76 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 3.08 -1.81 -1.86 114.38 117.02 2dm8 h ARG 77 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2dm8 h ARG 77 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2dm8 h ARG 77 CO 0.00 0.00 -1.33 -1.71 -1.07 0.00 0.00 179.97 175.87 2dm8 n ASN 78 N -2.61 3.56 -4.40 7.04 2.85 -1.26 -4.68 115.26 115.76 2dm8 n ASN 78 Ca -0.01 -0.03 -0.42 0.00 -0.11 0.00 0.00 54.58 54.01 2dm8 n ASN 78 Cb 0.51 -0.08 0.00 0.00 1.24 0.00 0.00 39.78 41.45 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2dm8 n SER 79 N -2.66 -1.61 -4.82 1.20 7.64 -0.70 -4.46 113.62 108.20 2dm8 n SER 79 Ca -0.10 0.87 -0.30 0.00 1.01 0.00 0.00 58.87 60.35 2dm8 n SER 79 Cb 0.61 -1.03 0.07 0.00 -1.01 0.00 0.00 64.21 62.85 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dm8 s SER 80 N -0.98 4.93 0.16 6.43 0.15 -1.26 -3.50 113.70 119.64 2dm8 s SER 80 Ca 0.62 1.40 -0.28 0.00 0.70 0.00 0.00 55.95 58.39 2dm8 s SER 80 Cb -0.62 -2.20 -0.01 0.00 -1.71 0.00 0.00 66.02 61.48 2dm8 s SER 80 CO 0.60 -1.71 1.55 -0.74 1.20 0.00 0.00 173.24 174.14 2dm8 h HIS 81 N -0.90 -1.54 -0.06 3.44 2.76 -1.80 0.50 115.15 117.54 2dm8 h HIS 81 Ca -0.46 0.10 0.02 0.00 -2.20 0.00 0.00 60.37 57.83 2dm8 h HIS 81 Cb 1.24 0.77 -0.02 0.00 1.55 0.00 0.00 27.41 30.95 2dm8 h HIS 81 CO 0.53 -0.42 -0.06 0.93 -1.30 0.00 0.00 177.93 177.60 2dm8 h GLU 82 N -0.18 -0.08 -0.71 5.26 4.39 -1.92 -2.53 114.58 118.80 2dm8 h GLU 82 Ca 0.17 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.03 2dm8 h GLU 82 Cb 0.53 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.08 2dm8 h GLU 82 CO -0.77 -0.05 -0.00 0.93 -1.16 0.00 0.00 179.01 177.96 2dm8 h GLU 83 N -0.08 0.10 -0.17 2.33 4.39 -1.49 0.58 114.58 120.24 2dm8 h GLU 83 Ca 0.05 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2dm8 h GLU 83 Cb 0.15 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2dm8 h GLU 83 CO -0.11 0.07 0.12 0.00 -1.16 0.00 0.00 179.01 177.93 2dm8 h ALA 84 N 1.66 2.02 0.21 3.43 0.00 -0.56 -1.30 119.26 124.73 2dm8 h ALA 84 Ca 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2dm8 h ALA 84 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dm8 h ALA 84 CO -0.63 -0.05 -0.10 0.82 0.00 0.00 0.00 179.25 179.29 2dm8 h ILE 85 N 0.12 0.86 -0.97 0.00 1.08 0.44 -3.15 117.51 115.87 2dm8 h ILE 85 Ca 0.07 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.78 2dm8 h ILE 85 Cb 0.15 1.29 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 2dm8 h ILE 85 CO -0.01 0.16 0.64 0.74 -0.69 0.00 0.00 178.15 179.00 2dm8 h THR 86 N -0.71 1.23 -0.01 -0.27 2.02 -1.04 -0.79 112.91 113.33 2dm8 h THR 86 Ca -0.03 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2dm8 h THR 86 Cb 0.49 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2dm8 h THR 86 CO 0.05 0.24 0.14 0.00 0.37 0.00 0.00 175.52 176.31 2dm8 h ALA 87 N 1.41 1.19 0.00 6.16 0.00 -1.26 0.28 119.26 127.05 2dm8 h ALA 87 Ca 0.37 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.01 2dm8 h ALA 87 Cb -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2dm8 h ALA 87 CO -0.09 -0.15 -1.69 1.28 0.00 0.00 0.00 179.25 178.61 2dm8 n LEU 88 N -3.07 0.82 -0.08 0.00 4.77 -0.33 -3.96 117.00 115.15 2dm8 n LEU 88 Ca -0.02 0.38 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2dm8 n LEU 88 Cb 0.21 0.17 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 2dm8 n LEU 88 CO 0.18 0.34 0.50 0.54 -1.33 0.00 0.00 177.39 177.62 2dm8 n ARG 89 N -2.99 0.27 -0.58 3.23 1.74 0.14 -3.71 116.66 114.77 2dm8 n ARG 89 Ca -0.16 -0.16 0.10 0.00 -0.77 0.00 0.00 57.85 56.86 2dm8 n ARG 89 Cb 1.01 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 31.31 2dm8 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dm8 n GLN 90 N -1.22 3.55 -3.74 5.56 1.13 0.77 -4.94 117.38 118.48 2dm8 n GLN 90 Ca 0.08 -2.87 -0.36 0.00 -1.94 0.00 0.00 57.00 51.91 2dm8 n GLN 90 Cb 0.34 -1.84 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2dm8 s THR 91 N -1.67 5.30 0.00 5.09 -4.23 -1.24 -5.04 115.64 113.85 2dm8 s THR 91 Ca 0.52 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 2dm8 s THR 91 Cb 0.32 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.60 2dm8 s THR 91 CO 0.27 0.44 0.00 -0.81 -0.54 0.00 0.00 174.62 173.99 2dm8 n PRO 92 N 1.38 0.12 -0.35 3.99 -0.04 -1.26 -4.90 135.00 133.94 2dm8 n PRO 92 Ca -0.13 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2dm8 n PRO 92 Cb 0.53 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.18 2dm8 n PRO 92 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dm8 h GLN 93 N 0.00 1.13 -4.42 0.54 4.20 -1.99 -3.35 115.11 111.23 2dm8 h GLN 93 Ca 0.00 -0.07 -0.73 0.00 0.06 0.00 0.00 58.65 57.91 2dm8 h GLN 93 Cb 0.00 -0.26 -0.22 0.00 0.30 0.00 0.00 27.48 27.31 2dm8 h GLN 93 CO 0.00 0.75 0.10 0.15 -0.67 0.00 0.00 178.83 179.16 2dm8 s LYS 94 N -6.01 3.19 -0.30 1.46 1.02 -1.26 -0.10 119.74 117.74 2dm8 s LYS 94 Ca -0.12 -1.67 -0.20 0.00 0.02 0.00 0.00 55.97 54.00 2dm8 s LYS 94 Cb 0.20 -4.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.13 2dm8 s LYS 94 CO 0.81 -1.47 0.61 0.08 -0.92 0.00 0.00 175.35 174.46 2dm8 s VAL 95 N 1.96 4.96 -0.07 3.17 1.01 0.05 -4.90 120.40 126.58 2dm8 s VAL 95 Ca 0.13 0.85 0.02 0.00 0.00 0.00 0.00 61.98 62.98 2dm8 s VAL 95 Cb -0.21 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2dm8 s VAL 95 CO 0.01 -0.11 -0.12 -0.60 0.00 0.00 0.00 175.10 174.28 2dm8 s ARG 96 N 2.56 2.74 0.08 2.72 3.00 -1.26 -0.50 118.95 128.29 2dm8 s ARG 96 Ca 0.24 -0.66 -0.08 0.00 -1.00 0.00 0.00 55.73 54.23 2dm8 s ARG 96 Cb -0.15 -2.48 -0.00 0.00 0.00 0.00 0.00 34.95 32.31 2dm8 s ARG 96 CO 0.11 0.55 0.17 -0.51 0.00 0.00 0.00 175.30 175.62 2dm8 s LEU 97 N -0.52 1.51 -0.28 -0.88 1.02 -0.58 -0.25 118.68 118.70 2dm8 s LEU 97 Ca 0.07 -0.67 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 2dm8 s LEU 97 Cb -0.12 0.97 0.02 0.00 0.02 0.00 0.00 46.19 47.08 2dm8 s LEU 97 CO 0.02 -0.72 0.03 -0.69 0.02 0.00 0.00 176.35 175.01 2dm8 s VAL 98 N -3.85 3.55 0.18 -1.59 1.01 -0.86 -0.45 120.40 118.40 2dm8 s VAL 98 Ca 0.05 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2dm8 s VAL 98 Cb 0.05 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2dm8 s VAL 98 CO -0.11 0.09 0.21 0.68 0.00 0.00 0.00 175.10 175.97 2dm8 s VAL 99 N 1.42 4.78 -0.01 2.92 -7.23 -0.39 -1.66 120.40 120.23 2dm8 s VAL 99 Ca 0.01 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2dm8 s VAL 99 Cb -0.17 -3.48 0.01 0.00 0.56 0.00 0.00 36.38 33.29 2dm8 s VAL 99 CO 0.00 -0.17 -0.01 -0.47 -0.31 0.00 0.00 175.10 174.15 2dm8 s TYR 100 N -1.83 0.21 0.31 2.82 6.14 -0.88 -2.46 117.35 121.66 2dm8 s TYR 100 Ca 0.32 -0.01 0.05 0.00 0.64 0.00 0.00 57.07 58.08 2dm8 s TYR 100 Cb -0.10 -0.22 -0.06 0.00 0.42 0.00 0.00 41.96 42.00 2dm8 s TYR 100 CO 0.26 -0.05 0.01 0.50 0.64 0.00 0.00 175.55 176.90 2dm8 s ARG 101 N 0.39 1.61 0.09 4.97 3.52 -1.26 -3.82 118.95 124.45 2dm8 s ARG 101 Ca -0.04 -1.86 0.03 0.00 -0.13 0.00 0.00 55.73 53.73 2dm8 s ARG 101 Cb -0.06 -1.00 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 2dm8 s ARG 101 CO -0.01 -0.09 0.13 0.16 -0.81 0.00 0.00 175.30 174.68 2dm8 s ASP 102 N -3.47 5.76 -0.62 -2.12 1.47 -1.26 0.23 116.67 116.66 2dm8 s ASP 102 Ca 0.33 0.05 0.01 0.00 1.18 0.00 0.00 52.55 54.12 2dm8 s ASP 102 Cb 0.07 -1.61 0.40 0.00 -0.34 0.00 0.00 42.92 41.44 2dm8 s ASP 102 CO 0.14 0.15 1.63 -1.84 0.68 0.00 0.00 175.17 175.92 2dm8 n GLU 103 N 0.24 3.07 -3.65 2.11 0.28 -1.26 -4.61 120.64 116.82 2dm8 n GLU 103 Ca -0.08 -3.89 -0.07 0.00 -0.16 0.00 0.00 57.16 52.96 2dm8 n GLU 103 Cb 0.52 -2.27 -0.02 0.00 1.43 0.00 0.00 31.44 31.11 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm8 s ALA 104 N -3.81 -1.61 -1.19 -1.84 0.00 -1.26 -4.98 121.76 107.07 2dm8 s ALA 104 Ca 0.52 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2dm8 s ALA 104 Cb 0.43 0.66 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2dm8 s ALA 104 CO -0.23 -0.90 1.02 0.72 0.00 0.00 0.00 175.76 176.37 2dm8 n HIS 105 N -0.39 -2.36 -2.01 0.00 8.25 -1.26 -4.85 115.22 112.60 2dm8 n HIS 105 Ca -0.08 0.91 -0.26 0.00 -0.26 0.00 0.00 57.72 58.02 2dm8 n HIS 105 Cb 0.61 -4.81 -0.07 0.00 1.12 0.00 0.00 29.99 26.84 2dm8 n HIS 105 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2dm8 s TYR 106 N -3.32 1.85 -0.97 4.41 2.02 -1.26 -4.86 117.35 115.23 2dm8 s TYR 106 Ca 0.27 0.69 -0.31 0.00 -0.37 0.00 0.00 57.07 57.35 2dm8 s TYR 106 Cb -0.12 -3.93 -0.22 0.00 -0.40 0.00 0.00 41.96 37.29 2dm8 s TYR 106 CO 0.68 -1.22 2.66 0.54 -1.57 0.00 0.00 175.55 176.64 2dm8 n ARG 107 N 8.35 0.00 0.08 -0.62 1.74 -1.26 -4.72 116.66 120.24 2dm8 n ARG 107 Ca 0.44 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.64 2dm8 n ARG 107 Cb 0.47 -1.49 0.13 0.00 -1.02 0.00 0.00 32.46 30.55 2dm8 n ARG 107 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2dm8 h ASP 108 N 11.80 0.00 -2.66 0.55 3.32 -2.04 -3.39 116.42 124.01 2dm8 h ASP 108 Ca -0.05 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 56.19 2dm8 h ASP 108 Cb 1.31 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.48 2dm8 h ASP 108 CO 1.37 0.07 -0.20 -0.62 -1.72 0.00 0.00 179.24 178.14 2dm8 n GLU 109 N -2.33 2.90 -3.82 3.56 1.02 -1.26 -4.97 120.64 115.74 2dm8 n GLU 109 Ca 0.03 -4.60 -0.30 0.00 -0.02 0.00 0.00 57.16 52.27 2dm8 n GLU 109 Cb 0.47 -2.35 -0.14 0.00 -0.02 0.00 0.00 31.44 29.41 2dm8 n GLU 109 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2dm8 s GLU 110 N -2.24 1.54 -0.25 3.49 -1.05 -1.26 -5.06 118.70 113.88 2dm8 s GLU 110 Ca 0.34 -2.20 -0.10 0.00 -0.15 0.00 0.00 54.97 52.86 2dm8 s GLU 110 Cb 0.07 -2.75 0.10 0.00 -0.44 0.00 0.00 34.13 31.10 2dm8 s GLU 110 CO -0.03 -1.12 0.55 0.45 0.95 0.00 0.00 175.26 176.06 2dm8 s SER 111 N 0.19 -0.74 0.88 0.83 0.15 -1.26 -5.17 113.70 108.58 2dm8 s SER 111 Ca 0.17 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2dm8 s SER 111 Cb -0.25 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 2dm8 s SER 111 CO -0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dm8 n GLY 112 N 5.04 -0.87 0.00 9.45 0.00 -1.26 -4.93 105.19 112.62 2dm8 n GLY 112 Ca -0.14 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.24 2dm8 n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm8 n PRO 113 N -0.95 0.05 -4.14 1.61 -0.04 -1.26 -4.86 135.00 125.41 2dm8 n PRO 113 Ca 0.00 0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 63.34 2dm8 n PRO 113 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2dm8 n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm8 n SER 114 N -1.44 -2.24 -4.04 3.54 2.88 -1.26 -4.89 113.62 106.16 2dm8 n SER 114 Ca 0.04 -0.92 -0.30 0.00 -1.33 0.00 0.00 58.87 56.37 2dm8 n SER 114 Cb 0.15 -1.92 0.23 0.00 -0.75 0.00 0.00 64.21 61.93 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dm8 s SER 115 N -3.07 1.01 0.00 -3.46 1.04 -1.26 -5.32 113.70 102.65 2dm8 s SER 115 Ca 0.69 0.88 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2dm8 s SER 115 Cb -0.39 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2dm8 s SER 115 CO 0.84 -4.09 0.00 0.61 0.98 0.00 0.00 173.24 171.58