#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm8 s SER 2 N 0.00 -0.20 0.21 1.61 0.15 -1.26 -5.16 113.70 109.05 2dm8 s SER 2 Ca 0.00 0.42 0.11 0.00 0.70 0.00 0.00 55.95 57.17 2dm8 s SER 2 Cb 0.00 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2dm8 s SER 2 CO 0.00 -0.14 -0.21 -0.44 1.20 0.00 0.00 173.24 173.65 2dm8 s SER 3 N 0.96 3.24 0.00 5.45 0.01 -1.26 -5.11 113.70 116.99 2dm8 s SER 3 Ca -0.07 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2dm8 s SER 3 Cb -0.09 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2dm8 s SER 3 CO -0.06 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2dm8 n GLY 4 N 0.04 1.10 3.64 3.44 0.00 -1.26 -5.12 105.19 107.03 2dm8 n GLY 4 Ca -0.11 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2dm8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 s SER 5 N 2.00 6.81 -0.09 1.61 0.01 -1.26 -5.03 113.70 117.75 2dm8 s SER 5 Ca 0.00 1.00 0.01 0.00 1.31 0.00 0.00 55.95 58.27 2dm8 s SER 5 Cb 0.00 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.82 2dm8 s SER 5 CO 0.00 -0.52 -0.10 -0.94 0.41 0.00 0.00 173.24 172.09 2dm8 s SER 6 N 1.36 1.98 -0.11 2.44 1.04 -1.26 -4.94 113.70 114.21 2dm8 s SER 6 Ca 0.34 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.45 2dm8 s SER 6 Cb -0.15 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.13 2dm8 s SER 6 CO 0.08 -0.05 0.09 0.61 0.98 0.00 0.00 173.24 174.95 2dm8 n GLY 7 N 4.39 -2.05 0.00 7.32 0.00 -1.26 -4.72 105.19 108.88 2dm8 n GLY 7 Ca -0.18 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.06 2dm8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm8 n PRO 8 N -0.12 0.28 0.04 1.61 -0.04 -1.26 -1.80 135.00 133.71 2dm8 n PRO 8 Ca 0.02 0.11 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 2dm8 n PRO 8 Cb 0.07 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.00 2dm8 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dm8 h ALA 9 N 2.77 -0.21 -0.50 0.55 0.00 -1.89 -2.78 119.26 117.20 2dm8 h ALA 9 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dm8 h ALA 9 Cb 0.10 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dm8 h ALA 9 CO 0.00 -0.21 0.00 -2.37 0.00 0.00 0.00 179.25 176.67 2dm8 n THR 10 N -4.91 2.48 -3.41 0.00 5.66 -1.21 -4.74 114.28 108.14 2dm8 n THR 10 Ca -0.04 -1.49 -0.36 0.00 -3.05 0.00 0.00 64.05 59.11 2dm8 n THR 10 Cb 0.14 -0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 68.67 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dm8 n PRO 12 N 1.06 -3.18 -3.73 0.00 -0.04 -1.26 -4.94 135.00 122.91 2dm8 n PRO 12 Ca -0.07 -1.77 -0.38 0.00 -0.04 0.00 0.00 63.50 61.23 2dm8 n PRO 12 Cb 0.52 -1.66 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 2dm8 n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2dm8 s ILE 13 N -3.01 3.71 -0.15 0.52 1.01 -1.26 -5.00 121.20 117.02 2dm8 s ILE 13 Ca 0.72 -1.49 -0.29 0.00 0.00 0.00 0.00 60.65 59.59 2dm8 s ILE 13 Cb -0.07 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 2dm8 s ILE 13 CO 0.55 -0.41 1.35 0.54 0.00 0.00 0.00 174.94 176.97 2dm8 s VAL 14 N 1.33 4.12 0.63 2.92 0.11 -1.26 -5.00 120.40 123.25 2dm8 s VAL 14 Ca 0.02 1.35 -0.16 0.00 -2.93 0.00 0.00 61.98 60.25 2dm8 s VAL 14 Cb -0.22 -3.89 -0.02 0.00 -1.53 0.00 0.00 36.38 30.73 2dm8 s VAL 14 CO 0.00 -0.14 1.12 -2.16 -3.33 0.00 0.00 175.10 170.59 2dm8 s PRO 15 N 3.67 2.95 0.00 1.54 0.04 -1.26 -3.43 135.00 138.51 2dm8 s PRO 15 Ca 0.59 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2dm8 s PRO 15 Cb -0.24 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dm8 s PRO 15 CO 0.18 -1.14 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2dm8 n GLY 16 N -0.34 1.19 3.50 0.56 0.00 -0.41 -4.84 105.19 104.87 2dm8 n GLY 16 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 3.72 0.23 1.61 -0.21 -1.22 -4.90 119.66 118.89 2dm8 s GLN 17 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 55.36 54.59 2dm8 s GLN 17 Cb 0.00 -3.08 -0.12 0.00 1.00 0.00 0.00 33.01 30.81 2dm8 s GLN 17 CO 0.00 0.12 1.70 0.39 -2.12 0.00 0.00 175.29 175.38 2dm8 n GLU 18 N 3.94 2.77 -4.30 2.91 1.02 -1.26 -4.61 120.64 121.10 2dm8 n GLU 18 Ca -0.17 0.99 -0.16 0.00 -0.02 0.00 0.00 57.16 57.80 2dm8 n GLU 18 Cb 0.52 -2.83 -0.10 0.00 -0.02 0.00 0.00 31.44 29.01 2dm8 n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm8 s MET 19 N 0.77 1.22 0.13 3.49 0.23 -1.01 -5.03 119.30 119.10 2dm8 s MET 19 Ca 0.72 -1.56 0.09 0.00 -1.03 0.00 0.00 55.69 53.91 2dm8 s MET 19 Cb -0.50 -0.77 -0.04 0.00 -1.53 0.00 0.00 34.83 31.99 2dm8 s MET 19 CO 0.36 0.05 -0.14 0.42 -2.03 0.00 0.00 175.02 173.68 2dm8 s ILE 20 N -3.25 3.03 -0.02 3.16 1.09 -1.26 -1.61 121.20 122.33 2dm8 s ILE 20 Ca 0.22 -1.50 0.02 0.00 -1.10 0.00 0.00 60.65 58.29 2dm8 s ILE 20 Cb 0.03 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 39.00 2dm8 s ILE 20 CO 0.05 0.05 -0.08 0.27 -0.10 0.00 0.00 174.94 175.12 2dm8 s ILE 21 N -1.31 0.72 -0.15 2.92 -4.36 -0.46 -4.74 121.20 113.81 2dm8 s ILE 21 Ca 0.20 -0.34 0.01 0.00 -0.26 0.00 0.00 60.65 60.27 2dm8 s ILE 21 Cb -0.10 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 42.98 2dm8 s ILE 21 CO 0.12 0.22 -0.17 -1.61 0.24 0.00 0.00 174.94 173.74 2dm8 s GLU 22 N 0.12 3.17 -0.11 0.37 8.01 -1.05 -2.01 118.70 127.21 2dm8 s GLU 22 Ca -0.02 -0.78 0.04 0.00 0.01 0.00 0.00 54.97 54.22 2dm8 s GLU 22 Cb -0.07 -2.58 0.00 0.00 -4.31 0.00 0.00 34.13 27.17 2dm8 s GLU 22 CO 0.00 0.01 -0.23 0.42 0.01 0.00 0.00 175.26 175.47 2dm8 s ILE 23 N 0.82 2.03 -0.54 -1.63 1.01 0.09 -4.21 121.20 118.78 2dm8 s ILE 23 Ca -0.06 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 2dm8 s ILE 23 Cb -0.15 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.60 2dm8 s ILE 23 CO -0.01 0.55 0.79 -0.55 0.00 0.00 0.00 174.94 175.72 2dm8 s SER 24 N 0.46 6.27 0.96 3.58 0.15 -1.26 -0.49 113.70 123.37 2dm8 s SER 24 Ca -0.16 -0.67 -0.13 0.00 0.70 0.00 0.00 55.95 55.68 2dm8 s SER 24 Cb -0.17 -2.36 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2dm8 s SER 24 CO 0.06 -1.07 0.12 0.29 1.20 0.00 0.00 173.24 173.84 2dm8 n LYS 25 N 6.83 -1.78 0.00 5.44 5.02 0.85 -4.97 118.16 129.55 2dm8 n LYS 25 Ca -0.03 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 2dm8 n LYS 25 Cb 0.46 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 2dm8 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dm8 n GLY 26 N 2.54 4.99 0.00 0.72 0.00 -1.26 -4.95 105.19 107.23 2dm8 n GLY 26 Ca 0.04 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 45.01 2dm8 n GLY 26 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dm8 n ARG 27 N 0.00 0.02 0.02 1.61 1.85 -1.26 -4.30 116.66 114.60 2dm8 n ARG 27 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2dm8 n ARG 27 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dm8 n SER 28 N -1.49 0.46 0.00 2.89 2.88 -1.26 -5.16 113.62 111.93 2dm8 n SER 28 Ca 0.07 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2dm8 n SER 28 Cb 0.34 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2dm8 n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm8 n GLY 29 N 3.13 0.64 3.85 0.46 0.00 -1.26 -5.08 105.19 106.92 2dm8 n GLY 29 Ca 0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm8 s LEU 30 N 0.00 4.18 -0.43 0.99 1.43 -1.26 -1.99 118.68 121.60 2dm8 s LEU 30 Ca 0.00 1.18 0.09 0.00 -1.03 0.00 0.00 54.13 54.37 2dm8 s LEU 30 Cb 0.00 -3.78 0.30 0.00 0.03 0.00 0.00 46.19 42.74 2dm8 s LEU 30 CO 0.00 -0.09 0.67 0.61 0.23 0.00 0.00 176.35 177.77 2dm8 n GLY 31 N 0.04 3.65 2.06 -3.19 0.00 -1.26 -4.71 105.19 101.78 2dm8 n GLY 31 Ca 0.01 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 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 0.76 0.00 -3.92 0.99 -0.00 -1.26 -1.17 117.00 112.39 2dm8 n LEU 32 Ca 0.25 -1.88 -0.10 0.00 -0.00 0.00 0.00 56.01 54.28 2dm8 n LEU 32 Cb 0.55 0.47 -0.10 0.00 -0.00 0.00 0.00 43.42 44.35 2dm8 n LEU 32 CO 0.23 -0.28 -0.23 -0.44 -0.00 0.00 0.00 177.39 176.68 2dm8 s SER 33 N -2.56 0.16 0.40 1.45 0.01 0.13 -4.87 113.70 108.42 2dm8 s SER 33 Ca 0.08 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 56.92 2dm8 s SER 33 Cb 0.00 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 2dm8 s SER 33 CO 0.06 -0.45 0.15 0.27 0.41 0.00 0.00 173.24 173.67 2dm8 s ILE 34 N -2.19 0.52 0.10 1.44 -4.36 -1.26 -1.13 121.20 114.32 2dm8 s ILE 34 Ca -0.09 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.10 2dm8 s ILE 34 Cb -0.04 -2.35 0.05 0.00 1.25 0.00 0.00 42.46 41.38 2dm8 s ILE 34 CO -0.03 0.00 0.51 0.68 0.24 0.00 0.00 174.94 176.35 2dm8 s VAL 35 N -3.23 0.03 0.00 8.37 -7.23 0.13 -4.54 120.40 113.92 2dm8 s VAL 35 Ca 0.25 -0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2dm8 s VAL 35 Cb 0.02 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2dm8 s VAL 35 CO 0.16 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2dm8 n GLY 36 N -0.02 -1.80 0.00 2.32 0.00 -1.26 -1.88 105.19 102.55 2dm8 n GLY 36 Ca -0.17 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.76 0.66 -0.02 0.00 -0.94 -2.92 105.19 102.73 2dm8 n GLY 37 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2dm8 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dm8 n LYS 38 N 0.00 0.00 0.19 1.61 5.02 -1.26 -4.38 118.16 119.34 2dm8 n LYS 38 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2dm8 n LYS 38 Cb 0.00 0.00 0.62 0.00 -0.02 0.00 0.00 35.03 35.63 2dm8 n LYS 38 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2dm8 h ASP 39 N 0.00 0.00 -4.27 4.39 1.82 -1.93 -3.43 116.42 113.00 2dm8 h ASP 39 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 2dm8 h ASP 39 Cb 0.00 0.00 0.10 0.00 0.68 0.00 0.00 39.33 40.11 2dm8 h ASP 39 CO 0.00 0.00 0.36 0.42 -1.61 0.00 0.00 179.24 178.41 2dm8 s THR 40 N -3.59 3.62 -2.00 2.25 -4.23 -1.26 -4.90 115.64 105.52 2dm8 s THR 40 Ca -0.03 0.62 0.12 0.00 -1.18 0.00 0.00 61.69 61.22 2dm8 s THR 40 Cb 0.07 -3.19 0.34 0.00 1.34 0.00 0.00 72.50 71.05 2dm8 s THR 40 CO 0.21 -0.60 1.14 -0.81 -0.54 0.00 0.00 174.62 174.02 2dm8 n PRO 41 N -2.87 0.49 -3.76 3.99 -0.04 -1.26 -4.51 135.00 127.03 2dm8 n PRO 41 Ca 0.09 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2dm8 n PRO 41 Cb 0.53 -1.38 -0.18 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.53 -0.09 1.53 2.34 -1.26 -5.01 118.68 114.97 2dm8 s LEU 42 Ca 0.18 -0.05 0.02 0.00 0.06 0.00 0.00 54.13 54.34 2dm8 s LEU 42 Cb 0.08 -0.38 0.20 0.00 -0.56 0.00 0.00 46.19 45.53 2dm8 s LEU 42 CO 0.14 -0.20 1.02 -3.20 -1.06 0.00 0.00 176.35 173.05 2dm8 n ASN 43 N 5.13 2.69 -3.75 1.48 2.85 -1.26 -2.22 115.26 120.18 2dm8 n ASN 43 Ca -0.07 -2.32 -0.21 0.00 -0.11 0.00 0.00 54.58 51.86 2dm8 n ASN 43 Cb 0.50 -0.57 -0.17 0.00 1.24 0.00 0.00 39.78 40.78 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dm8 s ALA 44 N -1.17 0.51 0.37 5.20 0.00 -1.26 -4.77 121.76 120.63 2dm8 s ALA 44 Ca 0.14 0.01 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 2dm8 s ALA 44 Cb 0.12 -0.64 -0.10 0.00 0.00 0.00 0.00 23.12 22.49 2dm8 s ALA 44 CO 0.04 -0.41 1.41 0.42 0.00 0.00 0.00 175.76 177.22 2dm8 s ILE 45 N 1.88 2.30 -0.01 0.00 -1.09 -1.26 -4.63 121.20 118.39 2dm8 s ILE 45 Ca 0.03 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 2dm8 s ILE 45 Cb -0.12 -3.19 0.01 0.00 -1.58 0.00 0.00 42.46 37.58 2dm8 s ILE 45 CO -0.04 0.07 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.04 2dm8 s VAL 46 N -1.14 0.14 -0.78 2.92 1.01 -0.79 -2.62 120.40 119.13 2dm8 s VAL 46 Ca 0.52 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 2dm8 s VAL 46 Cb -0.44 -0.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2dm8 s VAL 46 CO 0.59 0.07 1.68 -0.63 0.00 0.00 0.00 175.10 176.80 2dm8 s ILE 47 N 0.25 3.56 0.00 2.22 1.01 -0.82 -0.70 121.20 126.72 2dm8 s ILE 47 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2dm8 s ILE 47 Cb -0.04 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 38.05 2dm8 s ILE 47 CO -0.01 -1.32 1.00 1.57 0.00 0.00 0.00 174.94 176.18 2dm8 n HIS 48 N 11.61 0.00 -3.91 3.97 -0.00 -0.28 -1.00 115.22 125.60 2dm8 n HIS 48 Ca 0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.84 2dm8 n HIS 48 Cb 0.50 -0.50 -0.13 0.00 -0.00 0.00 0.00 29.99 29.86 2dm8 n HIS 48 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2dm8 s GLU 49 N -2.99 0.12 -0.83 1.57 2.12 -1.24 -4.50 118.70 112.95 2dm8 s GLU 49 Ca 0.00 -0.23 -0.01 0.00 0.36 0.00 0.00 54.97 55.09 2dm8 s GLU 49 Cb 0.00 0.04 0.20 0.00 0.26 0.00 0.00 34.13 34.64 2dm8 s GLU 49 CO 0.00 -0.02 0.69 0.08 -0.54 0.00 0.00 175.26 175.47 2dm8 s VAL 50 N -0.55 4.12 -0.27 3.70 1.01 -1.26 0.18 120.40 127.33 2dm8 s VAL 50 Ca -0.06 -3.74 -0.42 0.00 0.00 0.00 0.00 61.98 57.76 2dm8 s VAL 50 Cb -0.04 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.57 2dm8 s VAL 50 CO -0.00 -1.04 1.52 -1.22 0.00 0.00 0.00 175.10 174.35 2dm8 n TYR 51 N 2.51 1.63 -0.24 5.22 4.01 -0.32 -4.78 117.16 125.20 2dm8 n TYR 51 Ca 0.19 0.87 0.04 0.00 -0.16 0.00 0.00 57.90 58.85 2dm8 n TYR 51 Cb 0.37 -2.29 0.16 0.00 -0.31 0.00 0.00 39.34 37.27 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 5.30 0.20 -0.30 -0.72 4.11 -1.97 0.57 114.58 121.77 2dm8 h GLU 52 Ca -0.46 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 59.04 2dm8 h GLU 52 Cb 1.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2dm8 h GLU 52 CO 0.89 0.13 0.40 0.93 0.07 0.00 0.00 179.01 181.44 2dm8 h GLU 53 N 0.21 0.00 -6.75 1.06 4.39 -1.87 -3.38 114.58 108.24 2dm8 h GLU 53 Ca 0.39 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.57 2dm8 h GLU 53 Cb 0.67 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2dm8 h GLU 53 CO -0.53 0.00 0.60 0.20 -1.16 0.00 0.00 179.01 178.12 2dm8 s GLY 54 N -3.86 2.73 0.33 -3.84 0.00 0.20 -4.77 107.32 98.10 2dm8 s GLY 54 Ca -0.04 1.09 0.08 0.00 0.00 0.00 0.00 44.72 45.85 2dm8 s GLY 54 CO 0.48 1.90 1.80 0.00 0.00 0.00 0.00 173.10 177.28 2dm8 h ALA 55 N 4.57 1.77 -0.37 3.20 0.00 -1.64 0.24 119.26 127.02 2dm8 h ALA 55 Ca -0.46 0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.61 2dm8 h ALA 55 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dm8 h ALA 55 CO 0.72 -0.11 0.29 0.00 0.00 0.00 0.00 179.25 180.15 2dm8 h ALA 56 N 1.62 2.28 0.10 0.00 0.00 -1.89 -2.31 119.26 119.06 2dm8 h ALA 56 Ca 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2dm8 h ALA 56 Cb 0.90 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2dm8 h ALA 56 CO -0.32 -0.48 -0.05 0.00 0.00 0.00 0.00 179.25 178.40 2dm8 h ALA 57 N 1.78 -0.14 -0.99 0.00 0.00 -0.74 -3.19 119.26 115.98 2dm8 h ALA 57 Ca 0.18 -0.26 0.25 0.00 0.00 0.00 0.00 54.91 55.07 2dm8 h ALA 57 Cb 0.75 0.05 -0.19 0.00 0.00 0.00 0.00 17.79 18.40 2dm8 h ALA 57 CO -0.00 -0.25 -0.08 0.54 0.00 0.00 0.00 179.25 179.46 2dm8 n ARG 58 N -4.87 -0.08 -0.13 0.00 5.12 -0.88 0.86 116.66 116.68 2dm8 n ARG 58 Ca -0.08 1.51 -0.07 0.00 -1.93 0.00 0.00 57.85 57.27 2dm8 n ARG 58 Cb 0.28 -2.34 0.01 0.00 -1.16 0.00 0.00 32.46 29.25 2dm8 n ARG 58 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2dm8 h ASP 59 N 0.00 0.41 -1.59 0.55 1.82 -1.61 -3.47 116.42 112.53 2dm8 h ASP 59 Ca 0.55 -0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 57.12 2dm8 h ASP 59 Cb 1.05 -0.09 0.02 0.00 0.68 0.00 0.00 39.33 40.99 2dm8 h ASP 59 CO -0.96 0.29 -0.12 0.61 -1.61 0.00 0.00 179.24 177.45 2dm8 n GLY 60 N -1.21 0.56 0.06 -0.78 0.00 0.25 -4.96 105.19 99.11 2dm8 n GLY 60 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.37 1.95 -3.64 1.61 5.12 -1.26 -4.93 116.66 114.15 2dm8 n ARG 61 Ca -0.01 -0.01 -0.38 0.00 -1.93 0.00 0.00 57.85 55.52 2dm8 n ARG 61 Cb 0.52 -1.31 -0.11 0.00 -1.16 0.00 0.00 32.46 30.39 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 -4.83 3.99 -0.12 0.55 1.43 -1.26 -4.94 118.68 113.49 2dm8 s LEU 62 Ca -0.06 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2dm8 s LEU 62 Cb 0.04 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 2dm8 s LEU 62 CO 0.49 -0.11 0.02 0.26 0.23 0.00 0.00 176.35 177.24 2dm8 s TRP 63 N 1.68 3.19 -0.47 0.29 0.51 -1.26 -4.92 118.94 117.97 2dm8 s TRP 63 Ca 0.06 0.13 -0.34 0.00 -2.12 0.00 0.00 56.10 53.83 2dm8 s TRP 63 Cb -0.16 -1.88 -0.13 0.00 -0.81 0.00 0.00 33.47 30.49 2dm8 s TRP 63 CO 0.08 0.36 2.29 0.00 -0.51 0.00 0.00 176.95 179.17 2dm8 n ALA 64 N 2.58 0.88 0.00 0.98 0.00 -1.26 -1.66 120.51 122.03 2dm8 n ALA 64 Ca -0.18 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2dm8 n ALA 64 Cb 0.53 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.40 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 6.52 0.94 3.68 0.00 0.00 -0.17 -4.99 105.19 111.16 2dm8 n GLY 65 Ca 0.45 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 2dm8 n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dm8 s ASP 66 N -0.43 3.14 -0.21 1.61 2.15 -0.67 -4.70 116.67 117.56 2dm8 s ASP 66 Ca 0.00 1.83 0.01 0.00 0.43 0.00 0.00 52.55 54.82 2dm8 s ASP 66 Cb 0.00 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2dm8 s ASP 66 CO 0.00 -2.90 -0.15 -1.10 -0.17 0.00 0.00 175.17 170.85 2dm8 s GLN 67 N -4.75 2.78 0.43 4.34 -0.21 -1.26 -1.95 119.66 119.03 2dm8 s GLN 67 Ca 0.65 -0.98 -0.13 0.00 0.02 0.00 0.00 55.36 54.91 2dm8 s GLN 67 Cb -0.21 -2.73 -0.07 0.00 1.00 0.00 0.00 33.01 31.00 2dm8 s GLN 67 CO 0.58 -0.33 0.84 0.42 -2.12 0.00 0.00 175.29 174.68 2dm8 s ILE 68 N 1.25 4.67 0.00 1.08 1.01 -1.08 -2.40 121.20 125.74 2dm8 s ILE 68 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.55 2dm8 s ILE 68 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2dm8 s ILE 68 CO -0.09 -0.51 0.00 0.18 0.00 0.00 0.00 174.94 174.52 2dm8 n LEU 69 N -1.20 0.02 -3.51 2.97 4.77 0.00 -4.33 117.00 115.72 2dm8 n LEU 69 Ca 0.04 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 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 0.46 0.00 0.30 -0.70 -1.33 0.00 0.00 177.39 176.12 2dm8 s GLU 70 N -1.76 1.21 -0.09 3.23 2.12 -1.25 -2.68 118.70 119.48 2dm8 s GLU 70 Ca 0.00 -0.58 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 2dm8 s GLU 70 Cb 0.00 0.54 0.05 0.00 0.26 0.00 0.00 34.13 34.98 2dm8 s GLU 70 CO 0.00 -0.51 0.19 0.54 -0.54 0.00 0.00 175.26 174.94 2dm8 s VAL 71 N -3.78 -0.17 -0.75 3.70 0.11 -0.61 -2.05 120.40 116.85 2dm8 s VAL 71 Ca 0.02 0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2dm8 s VAL 71 Cb 0.00 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.54 2dm8 s VAL 71 CO -0.12 0.10 0.03 -3.20 -3.33 0.00 0.00 175.10 168.58 2dm8 n ASN 72 N 4.73 -2.99 0.00 3.54 2.85 0.70 0.11 115.26 124.19 2dm8 n ASN 72 Ca -0.17 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2dm8 n ASN 72 Cb 0.51 -2.58 0.00 0.00 1.24 0.00 0.00 39.78 38.95 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 -0.74 0.53 2.94 8.20 0.00 -1.26 -5.04 105.19 109.83 2dm8 n GLY 73 Ca -0.09 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 1.70 0.16 1.61 1.01 0.30 -5.10 120.40 118.08 2dm8 s VAL 74 Ca 0.00 -1.61 -0.34 0.00 0.00 0.00 0.00 61.98 60.03 2dm8 s VAL 74 Cb 0.00 -2.07 -0.14 0.00 0.00 0.00 0.00 36.38 34.16 2dm8 s VAL 74 CO 0.00 -0.32 1.49 -0.67 0.00 0.00 0.00 175.10 175.59 2dm8 n ASP 75 N 4.56 2.67 -0.06 3.32 -0.08 -1.26 -1.57 116.55 124.13 2dm8 n ASP 75 Ca -0.06 1.10 -0.07 0.00 -1.51 0.00 0.00 54.79 54.25 2dm8 n ASP 75 Cb 0.43 -1.37 -0.08 0.00 2.34 0.00 0.00 41.12 42.44 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2dm8 n LEU 76 N 2.99 0.81 -0.65 -2.67 4.77 -1.09 -4.16 117.00 117.00 2dm8 n LEU 76 Ca 0.16 -0.02 0.49 0.00 -0.03 0.00 0.00 56.01 56.62 2dm8 n LEU 76 Cb 0.27 0.06 0.76 0.00 -2.33 0.00 0.00 43.42 42.18 2dm8 n LEU 76 CO 0.63 0.39 1.40 0.54 -1.33 0.00 0.00 177.39 179.03 2dm8 n ARG 77 N -2.54 0.00 -0.13 3.23 1.74 -1.24 -0.03 116.66 117.70 2dm8 n ARG 77 Ca -0.20 1.03 -0.24 0.00 -0.77 0.00 0.00 57.85 57.67 2dm8 n ARG 77 Cb 0.83 -2.39 -0.11 0.00 -1.02 0.00 0.00 32.46 29.77 2dm8 n ARG 77 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2dm8 n ASN 78 N -3.78 1.97 -4.42 0.55 6.94 -1.26 -4.66 115.26 110.61 2dm8 n ASN 78 Ca 0.41 0.13 -0.39 0.00 -0.02 0.00 0.00 54.58 54.72 2dm8 n ASN 78 Cb 1.90 -0.65 0.03 0.00 -2.36 0.00 0.00 39.78 38.69 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2dm8 n SER 79 N -3.81 -1.57 -3.36 0.53 7.64 0.96 -4.56 113.62 109.45 2dm8 n SER 79 Ca -0.49 0.75 -0.22 0.00 1.01 0.00 0.00 58.87 59.91 2dm8 n SER 79 Cb 0.93 -1.09 0.17 0.00 -1.01 0.00 0.00 64.21 63.21 2dm8 n SER 79 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dm8 n SER 80 N 1.05 -0.83 0.41 6.43 3.41 -1.26 -4.19 113.62 118.64 2dm8 n SER 80 Ca 0.11 -1.19 -0.19 0.00 -0.26 0.00 0.00 58.87 57.34 2dm8 n SER 80 Cb 0.46 -0.76 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2dm8 h HIS 81 N -1.98 -0.98 0.38 7.33 2.76 -1.86 -2.30 115.15 118.50 2dm8 h HIS 81 Ca -0.32 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.82 2dm8 h HIS 81 Cb 0.91 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 2dm8 h HIS 81 CO 0.00 -0.60 -0.25 0.93 -1.30 0.00 0.00 177.93 176.71 2dm8 h GLU 82 N -1.03 -0.59 -0.94 5.26 5.08 -1.94 -2.74 114.58 117.69 2dm8 h GLU 82 Ca -0.10 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.52 2dm8 h GLU 82 Cb 0.80 0.13 -0.17 0.00 0.50 0.00 0.00 28.75 30.01 2dm8 h GLU 82 CO 0.15 -0.39 -0.07 0.93 -1.00 0.00 0.00 179.01 178.63 2dm8 h GLU 83 N -0.61 0.02 -0.75 2.33 3.07 -1.92 1.24 114.58 117.97 2dm8 h GLU 83 Ca -0.04 -0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.93 2dm8 h GLU 83 Cb 0.51 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.36 2dm8 h GLU 83 CO 0.03 0.01 0.49 0.00 -1.40 0.00 0.00 179.01 178.15 2dm8 h ALA 84 N 1.93 1.87 -0.14 3.43 0.00 -1.11 -1.27 119.26 123.98 2dm8 h ALA 84 Ca 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 2dm8 h ALA 84 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2dm8 h ALA 84 CO -0.90 -0.04 0.01 0.82 0.00 0.00 0.00 179.25 179.14 2dm8 h ILE 85 N 0.61 1.24 -0.55 0.00 1.08 0.16 -3.01 117.51 117.04 2dm8 h ILE 85 Ca 0.35 -0.78 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2dm8 h ILE 85 Cb 0.54 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 2dm8 h ILE 85 CO -0.13 0.23 0.26 0.74 -0.69 0.00 0.00 178.15 178.56 2dm8 h THR 86 N -0.01 1.19 0.00 -0.27 2.02 -0.80 -1.03 112.91 114.01 2dm8 h THR 86 Ca 0.04 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2dm8 h THR 86 Cb 0.34 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 2dm8 h THR 86 CO 0.01 0.22 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2dm8 h ALA 87 N 1.50 1.00 0.00 6.16 0.00 -1.13 -0.94 119.26 125.85 2dm8 h ALA 87 Ca 0.19 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2dm8 h ALA 87 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2dm8 h ALA 87 CO -0.02 0.00 -1.68 1.28 0.00 0.00 0.00 179.25 178.83 2dm8 n LEU 88 N -2.31 0.55 0.09 0.00 4.77 -0.41 -4.02 117.00 115.67 2dm8 n LEU 88 Ca -0.00 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 2dm8 n LEU 88 Cb 0.10 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2dm8 n LEU 88 CO 0.13 0.17 0.18 0.03 -1.33 0.00 0.00 177.39 176.57 2dm8 h ARG 89 N 0.00 0.00 -0.52 3.23 3.08 -1.02 -3.22 114.38 115.93 2dm8 h ARG 89 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2dm8 h ARG 89 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2dm8 h ARG 89 CO 0.03 0.58 0.00 1.04 -1.07 0.00 0.00 179.97 180.55 2dm8 n GLN 90 N -3.18 2.27 -3.01 0.04 6.02 -0.72 -4.91 117.38 113.90 2dm8 n GLN 90 Ca -0.02 -1.45 -0.36 0.00 -0.01 0.00 0.00 57.00 55.17 2dm8 n GLN 90 Cb 0.82 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.52 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2dm8 s THR 91 N -1.64 4.48 0.00 5.09 -4.23 -1.22 -5.07 115.64 113.06 2dm8 s THR 91 Ca 0.26 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 2dm8 s THR 91 Cb 0.16 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.15 2dm8 s THR 91 CO 0.14 0.10 0.00 -0.81 -0.54 0.00 0.00 174.62 173.51 2dm8 n PRO 92 N 0.45 0.24 0.17 3.99 -0.04 -1.26 -4.94 135.00 133.60 2dm8 n PRO 92 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 2dm8 n PRO 92 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 2dm8 n PRO 92 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2dm8 h GLN 93 N 0.00 -0.37 -4.08 0.54 5.75 -1.98 -3.33 115.11 111.63 2dm8 h GLN 93 Ca 0.00 0.03 -0.77 0.00 -0.15 0.00 0.00 58.65 57.75 2dm8 h GLN 93 Cb 0.00 0.09 -0.24 0.00 1.07 0.00 0.00 27.48 28.40 2dm8 h GLN 93 CO 0.00 -0.16 0.80 -1.59 -2.65 0.00 0.00 178.83 175.23 2dm8 s LYS 94 N -5.56 4.12 0.24 1.69 -2.85 -1.26 -0.10 119.74 116.02 2dm8 s LYS 94 Ca -0.15 -2.90 -0.31 0.00 -1.00 0.00 0.00 55.97 51.61 2dm8 s LYS 94 Cb 0.04 -4.76 -0.13 0.00 -2.06 0.00 0.00 37.83 30.92 2dm8 s LYS 94 CO 0.62 -1.46 1.50 0.28 0.10 0.00 0.00 175.35 176.38 2dm8 n VAL 95 N 3.58 0.74 -5.09 1.79 0.31 0.35 -4.62 118.33 115.40 2dm8 n VAL 95 Ca 0.28 -0.18 -0.29 0.00 -0.01 0.00 0.00 64.34 64.14 2dm8 n VAL 95 Cb 0.41 -1.63 -0.16 0.00 -0.91 0.00 0.00 33.84 31.55 2dm8 n VAL 95 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2dm8 s ARG 96 N -0.10 1.94 0.16 5.55 3.00 -1.26 -0.73 118.95 127.51 2dm8 s ARG 96 Ca 0.69 -0.79 -0.06 0.00 -1.00 0.00 0.00 55.73 54.57 2dm8 s ARG 96 Cb -0.61 -1.79 -0.02 0.00 0.00 0.00 0.00 34.95 32.53 2dm8 s ARG 96 CO 0.46 0.42 0.22 -0.51 0.00 0.00 0.00 175.30 175.89 2dm8 s LEU 97 N -0.37 1.18 -0.23 -0.88 1.02 -0.85 -0.22 118.68 118.34 2dm8 s LEU 97 Ca 0.04 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.23 2dm8 s LEU 97 Cb -0.10 0.92 0.05 0.00 0.02 0.00 0.00 46.19 47.08 2dm8 s LEU 97 CO 0.00 -0.85 -0.12 -0.69 0.02 0.00 0.00 176.35 174.71 2dm8 s VAL 98 N -4.00 1.99 0.31 -1.59 1.01 -0.87 -1.36 120.40 115.90 2dm8 s VAL 98 Ca 0.20 -1.35 0.07 0.00 0.00 0.00 0.00 61.98 60.90 2dm8 s VAL 98 Cb 0.04 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2dm8 s VAL 98 CO 0.01 0.11 0.31 0.68 0.00 0.00 0.00 175.10 176.21 2dm8 s VAL 99 N 1.22 4.00 -0.19 2.92 -7.23 -0.64 -0.82 120.40 119.67 2dm8 s VAL 99 Ca -0.05 -1.28 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2dm8 s VAL 99 Cb -0.18 -3.34 0.09 0.00 0.56 0.00 0.00 36.38 33.51 2dm8 s VAL 99 CO -0.07 -0.23 0.22 -0.47 -0.31 0.00 0.00 175.10 174.24 2dm8 s TYR 100 N -2.21 -0.29 -0.77 2.82 5.04 -1.01 -2.41 117.35 118.53 2dm8 s TYR 100 Ca 0.39 0.33 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 2dm8 s TYR 100 Cb -0.07 -0.32 0.19 0.00 0.35 0.00 0.00 41.96 42.11 2dm8 s TYR 100 CO 0.27 -0.55 0.62 0.50 -1.34 0.00 0.00 175.55 175.05 2dm8 s ARG 101 N 2.33 2.96 1.01 4.97 3.52 -1.26 -4.39 118.95 128.10 2dm8 s ARG 101 Ca 0.06 -2.90 -0.17 0.00 -0.13 0.00 0.00 55.73 52.60 2dm8 s ARG 101 Cb -0.15 -3.87 -0.00 0.00 -1.56 0.00 0.00 34.95 29.36 2dm8 s ARG 101 CO -0.11 -1.23 -0.14 -3.47 -0.81 0.00 0.00 175.30 169.54 2dm8 n ASP 102 N 2.94 -2.99 -1.80 -2.12 2.03 -1.26 -1.28 116.55 112.06 2dm8 n ASP 102 Ca 0.15 0.14 -0.15 0.00 0.52 0.00 0.00 54.79 55.45 2dm8 n ASP 102 Cb 0.38 -0.98 0.06 0.00 -0.72 0.00 0.00 41.12 39.86 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2dm8 n GLU 103 N -0.59 2.91 -3.74 -0.67 -0.00 -1.26 -4.42 120.64 112.87 2dm8 n GLU 103 Ca 0.02 -3.86 -0.38 0.00 -0.00 0.00 0.00 57.16 52.94 2dm8 n GLU 103 Cb 0.59 -2.01 -0.12 0.00 -0.00 0.00 0.00 31.44 29.90 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm8 s ALA 104 N -3.44 3.08 -1.48 -1.84 0.00 -1.26 -4.51 121.76 112.31 2dm8 s ALA 104 Ca 0.45 -1.62 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 2dm8 s ALA 104 Cb 0.39 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 21.26 2dm8 s ALA 104 CO 0.00 -1.17 0.15 0.72 0.00 0.00 0.00 175.76 175.46 2dm8 n HIS 105 N 4.86 -1.09 -0.10 0.00 8.25 -1.26 -4.90 115.22 120.97 2dm8 n HIS 105 Ca -0.13 0.12 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 2dm8 n HIS 105 Cb 0.46 -3.69 -0.07 0.00 1.12 0.00 0.00 29.99 27.82 2dm8 n HIS 105 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2dm8 h TYR 106 N -0.33 -1.43 -3.49 4.41 3.20 -1.90 -3.41 116.97 114.02 2dm8 h TYR 106 Ca -0.43 0.07 -0.66 0.00 3.14 0.00 0.00 58.73 60.84 2dm8 h TYR 106 Cb 1.32 0.67 -0.15 0.00 1.54 0.00 0.00 36.73 40.11 2dm8 h TYR 106 CO 0.47 -0.48 -0.69 1.03 -1.64 0.00 0.00 178.16 176.85 2dm8 s ARG 107 N -5.78 2.47 0.61 1.82 0.52 -1.26 -5.13 118.95 112.20 2dm8 s ARG 107 Ca -0.15 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 2dm8 s ARG 107 Cb 0.10 -2.48 0.05 0.00 0.52 0.00 0.00 34.95 33.13 2dm8 s ARG 107 CO 0.64 0.56 0.86 -0.51 0.02 0.00 0.00 175.30 176.87 2dm8 s ASP 108 N -1.92 5.09 -0.63 0.23 1.01 -1.26 -4.94 116.67 114.24 2dm8 s ASP 108 Ca 0.21 0.13 -0.27 0.00 0.71 0.00 0.00 52.55 53.33 2dm8 s ASP 108 Cb -0.11 -0.92 -0.11 0.00 1.01 0.00 0.00 42.92 42.78 2dm8 s ASP 108 CO 0.13 -1.32 2.49 1.21 0.21 0.00 0.00 175.17 177.88 2dm8 n GLU 109 N -2.55 0.75 -1.36 8.23 2.13 -1.26 -4.90 120.64 121.68 2dm8 n GLU 109 Ca 0.08 -0.04 -0.33 0.00 0.66 0.00 0.00 57.16 57.53 2dm8 n GLU 109 Cb 0.60 -2.95 0.10 0.00 0.27 0.00 0.00 31.44 29.46 2dm8 n GLU 109 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2dm8 s GLU 110 N 8.48 2.08 -0.42 5.31 2.12 -1.26 -5.01 118.70 129.99 2dm8 s GLU 110 Ca 1.08 1.64 0.02 0.00 0.36 0.00 0.00 54.97 58.07 2dm8 s GLU 110 Cb -0.45 -1.84 0.12 0.00 0.26 0.00 0.00 34.13 32.22 2dm8 s GLU 110 CO 0.31 -1.85 0.19 -1.12 -0.54 0.00 0.00 175.26 172.25 2dm8 s SER 111 N -2.29 4.09 0.23 -1.70 0.01 -1.26 -5.10 113.70 107.67 2dm8 s SER 111 Ca 0.71 -2.49 0.01 0.00 1.31 0.00 0.00 55.95 55.49 2dm8 s SER 111 Cb -0.26 -1.27 -0.00 0.00 0.21 0.00 0.00 66.02 64.69 2dm8 s SER 111 CO 0.47 -0.30 0.02 0.61 0.41 0.00 0.00 173.24 174.45 2dm8 n GLY 112 N 3.76 3.83 3.65 3.44 0.00 -1.26 -5.10 105.19 113.52 2dm8 n GLY 112 Ca 0.05 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 2dm8 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm8 s PRO 113 N -2.83 4.10 -0.00 1.61 0.04 -1.26 -5.01 135.00 131.64 2dm8 s PRO 113 Ca 0.03 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2dm8 s PRO 113 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2dm8 s PRO 113 CO 0.02 -0.93 0.05 -1.54 0.04 0.00 0.00 177.00 174.64 2dm8 s SER 114 N 3.23 5.45 -1.57 6.66 1.04 -1.26 -4.51 113.70 122.74 2dm8 s SER 114 Ca 0.68 0.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.06 2dm8 s SER 114 Cb -0.28 -1.51 0.10 0.00 0.10 0.00 0.00 66.02 64.43 2dm8 s SER 114 CO 0.26 0.28 0.80 -0.24 0.98 0.00 0.00 173.24 175.32 2dm8 n SER 115 N 1.27 -3.31 0.00 7.02 2.88 -1.26 -5.34 113.62 114.88 2dm8 n SER 115 Ca -0.14 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.49 2dm8 n SER 115 Cb 0.53 -3.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.68 2dm8 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42