#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 6.42 -0.57 1.61 0.15 -1.26 -4.93 113.70 115.12 2dm8 s SER 2 Ca 0.00 1.39 -0.27 0.00 0.70 0.00 0.00 55.95 57.77 2dm8 s SER 2 Cb 0.00 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2dm8 s SER 2 CO 0.00 -1.26 1.79 -0.55 1.20 0.00 0.00 173.24 174.41 2dm8 s SER 3 N 3.94 5.48 0.00 5.45 0.15 -1.26 -4.32 113.70 123.13 2dm8 s SER 3 Ca 0.67 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2dm8 s SER 3 Cb -0.21 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2dm8 s SER 3 CO 0.28 -2.19 0.00 0.61 1.20 0.00 0.00 173.24 173.14 2dm8 n GLY 4 N 5.60 2.48 3.79 9.45 0.00 -1.26 -4.95 105.19 120.30 2dm8 n GLY 4 Ca 0.19 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 2dm8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dm8 n SER 5 N 0.00 -2.04 -4.67 1.61 7.64 -1.26 -4.74 113.62 110.16 2dm8 n SER 5 Ca 0.00 -0.63 -0.54 0.00 1.01 0.00 0.00 58.87 58.71 2dm8 n SER 5 Cb 0.00 -1.77 -0.06 0.00 -1.01 0.00 0.00 64.21 61.36 2dm8 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dm8 n SER 6 N -2.19 2.30 -4.94 6.43 7.64 -1.26 -4.95 113.62 116.65 2dm8 n SER 6 Ca 0.06 1.08 -0.26 0.00 1.01 0.00 0.00 58.87 60.76 2dm8 n SER 6 Cb 0.48 -1.19 -0.03 0.00 -1.01 0.00 0.00 64.21 62.46 2dm8 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm8 s GLY 7 N 2.53 1.72 0.00 0.23 0.00 -1.26 -4.98 107.32 105.55 2dm8 s GLY 7 Ca 0.93 -1.02 0.15 0.00 0.00 0.00 0.00 44.72 44.78 2dm8 s GLY 7 CO 0.57 -1.01 1.41 -1.55 0.00 0.00 0.00 173.10 172.52 2dm8 n PRO 8 N -0.55 0.17 -3.25 2.90 -0.04 -1.26 -4.72 135.00 128.24 2dm8 n PRO 8 Ca -0.07 0.17 -0.20 0.00 -0.04 0.00 0.00 63.50 63.35 2dm8 n PRO 8 Cb 0.54 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2dm8 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dm8 n ALA 9 N -1.32 0.78 -4.19 0.55 0.00 -1.26 -3.92 120.51 111.14 2dm8 n ALA 9 Ca 0.06 -1.82 -0.36 0.00 0.00 0.00 0.00 53.44 51.33 2dm8 n ALA 9 Cb 0.13 0.69 -0.08 0.00 0.00 0.00 0.00 19.45 20.19 2dm8 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dm8 n THR 10 N -1.69 -0.20 -3.70 0.00 -2.24 -1.26 -4.88 114.28 100.31 2dm8 n THR 10 Ca 0.02 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 2dm8 n THR 10 Cb 0.52 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 n PRO 12 N 1.13 -1.98 -3.84 0.00 -0.04 -1.26 -5.02 135.00 123.99 2dm8 n PRO 12 Ca -0.21 -0.78 -0.34 0.00 -0.04 0.00 0.00 63.50 62.13 2dm8 n PRO 12 Cb 0.56 -0.73 -0.12 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.88 3.08 -0.02 0.52 1.01 -1.26 -5.05 121.20 117.60 2dm8 s ILE 13 Ca 0.32 -2.71 -0.30 0.00 0.00 0.00 0.00 60.65 57.96 2dm8 s ILE 13 Cb -0.03 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 2dm8 s ILE 13 CO 0.24 -0.76 1.63 0.54 0.00 0.00 0.00 174.94 176.59 2dm8 s VAL 14 N 0.36 3.45 0.63 2.92 0.11 -1.26 -4.98 120.40 121.63 2dm8 s VAL 14 Ca 0.14 0.68 -0.16 0.00 -2.93 0.00 0.00 61.98 59.71 2dm8 s VAL 14 Cb -0.22 -3.44 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 2dm8 s VAL 14 CO -0.04 -0.04 1.12 -2.16 -3.33 0.00 0.00 175.10 170.65 2dm8 s PRO 15 N 3.51 2.94 0.00 1.54 0.04 -1.26 -3.47 135.00 138.30 2dm8 s PRO 15 Ca 0.73 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2dm8 s PRO 15 Cb -0.35 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2dm8 s PRO 15 CO 0.30 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2dm8 n GLY 16 N -0.35 0.91 3.43 0.56 0.00 -0.83 -4.71 105.19 104.20 2dm8 n GLY 16 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 3.04 -0.26 1.61 -0.21 -1.23 -4.89 119.66 117.72 2dm8 s GLN 17 Ca 0.00 -1.09 -0.38 0.00 0.02 0.00 0.00 55.36 53.91 2dm8 s GLN 17 Cb 0.00 -4.09 -0.14 0.00 1.00 0.00 0.00 33.01 29.78 2dm8 s GLN 17 CO 0.00 -1.05 1.90 0.39 -2.12 0.00 0.00 175.29 174.40 2dm8 n GLU 18 N 5.59 1.32 -4.38 2.91 1.02 -1.26 -4.68 120.64 121.16 2dm8 n GLU 18 Ca -0.10 0.46 -0.24 0.00 -0.02 0.00 0.00 57.16 57.27 2dm8 n GLU 18 Cb 0.45 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.49 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 4.40 1.98 0.15 3.49 0.23 -1.09 -5.00 119.30 123.45 2dm8 s MET 19 Ca 1.01 -1.60 0.07 0.00 -1.03 0.00 0.00 55.69 54.14 2dm8 s MET 19 Cb -0.95 -1.96 -0.04 0.00 -1.53 0.00 0.00 34.83 30.35 2dm8 s MET 19 CO 0.59 0.34 -0.03 0.42 -2.03 0.00 0.00 175.02 174.31 2dm8 s ILE 20 N -2.42 3.63 -0.03 3.16 1.09 -1.26 -1.56 121.20 123.81 2dm8 s ILE 20 Ca 0.31 -1.34 0.01 0.00 -1.10 0.00 0.00 60.65 58.52 2dm8 s ILE 20 Cb -0.06 -2.78 0.02 0.00 -1.06 0.00 0.00 42.46 38.58 2dm8 s ILE 20 CO 0.17 -0.02 -0.04 0.27 -0.10 0.00 0.00 174.94 175.22 2dm8 s ILE 21 N -1.54 0.44 -0.20 2.92 -4.36 0.29 -4.56 121.20 114.19 2dm8 s ILE 21 Ca 0.25 -0.11 -0.01 0.00 -0.26 0.00 0.00 60.65 60.53 2dm8 s ILE 21 Cb -0.10 -0.46 0.01 0.00 1.25 0.00 0.00 42.46 43.17 2dm8 s ILE 21 CO 0.17 0.19 -0.13 -0.70 0.24 0.00 0.00 174.94 174.70 2dm8 s GLU 22 N 0.69 3.04 -0.13 0.37 2.12 -1.25 -1.29 118.70 122.25 2dm8 s GLU 22 Ca -0.09 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.44 2dm8 s GLU 22 Cb -0.12 -2.76 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 2dm8 s GLU 22 CO -0.00 -0.25 -0.16 0.42 -0.54 0.00 0.00 175.26 174.73 2dm8 s ILE 23 N 1.34 2.75 -0.46 -3.70 1.01 -0.33 -4.74 121.20 117.07 2dm8 s ILE 23 Ca 0.04 -0.76 -0.24 0.00 0.00 0.00 0.00 60.65 59.68 2dm8 s ILE 23 Cb -0.14 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.22 2dm8 s ILE 23 CO -0.09 0.53 0.85 -0.55 0.00 0.00 0.00 174.94 175.69 2dm8 s SER 24 N 0.43 6.44 0.10 3.58 0.15 -1.26 -0.91 113.70 122.22 2dm8 s SER 24 Ca -0.12 -0.05 -0.36 0.00 0.70 0.00 0.00 55.95 56.12 2dm8 s SER 24 Cb -0.16 -2.42 -0.15 0.00 -1.71 0.00 0.00 66.02 61.58 2dm8 s SER 24 CO 0.05 -1.00 1.46 0.29 1.20 0.00 0.00 173.24 175.25 2dm8 n LYS 25 N 6.96 1.57 0.00 5.44 5.02 0.81 -4.97 118.16 132.98 2dm8 n LYS 25 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 2dm8 n LYS 25 Cb 0.48 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 2.98 1.62 0.27 0.72 0.00 -1.26 -4.98 105.19 104.54 2dm8 n GLY 26 Ca 0.18 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2dm8 n GLY 26 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dm8 h ARG 27 N 0.00 -0.48 -6.37 1.61 1.12 -2.02 -3.43 114.38 104.81 2dm8 h ARG 27 Ca 0.00 0.03 -0.49 0.00 -1.11 0.00 0.00 59.98 58.41 2dm8 h ARG 27 Cb 0.00 0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.07 2dm8 h ARG 27 CO 0.00 -0.32 -0.27 0.45 -3.11 0.00 0.00 179.97 176.72 2dm8 s SER 28 N -3.52 6.34 1.09 -3.80 0.15 -1.26 -5.09 113.70 107.61 2dm8 s SER 28 Ca -0.10 0.38 -0.12 0.00 0.70 0.00 0.00 55.95 56.82 2dm8 s SER 28 Cb 0.03 -2.00 0.24 0.00 -1.71 0.00 0.00 66.02 62.58 2dm8 s SER 28 CO 0.33 -0.17 1.06 -0.83 1.20 0.00 0.00 173.24 174.82 2dm8 s GLY 29 N -3.71 1.56 0.15 9.45 0.00 -1.26 -4.48 107.32 109.03 2dm8 s GLY 29 Ca 0.39 -0.15 -0.33 0.00 0.00 0.00 0.00 44.72 44.63 2dm8 s GLY 29 CO 0.32 0.51 1.07 1.04 0.00 0.00 0.00 173.10 176.05 2dm8 n LEU 30 N -4.63 1.00 -3.78 0.66 4.77 -1.26 -4.02 117.00 109.73 2dm8 n LEU 30 Ca 0.04 1.14 -0.32 0.00 -0.03 0.00 0.00 56.01 56.85 2dm8 n LEU 30 Cb 0.55 -1.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 2dm8 n LEU 30 CO 0.57 -1.58 0.27 0.61 -1.33 0.00 0.00 177.39 175.93 2dm8 n GLY 31 N 1.93 4.52 3.30 -0.72 0.00 -1.26 -4.80 105.19 108.15 2dm8 n GLY 31 Ca 0.16 -2.68 -0.18 0.00 0.00 0.00 0.00 46.02 43.32 2dm8 n GLY 31 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dm8 s LEU 32 N -2.03 1.61 0.01 0.99 0.05 -1.26 -1.12 118.68 116.93 2dm8 s LEU 32 Ca 0.32 -1.69 0.00 0.00 0.05 0.00 0.00 54.13 52.82 2dm8 s LEU 32 Cb 0.04 0.63 -0.01 0.00 -2.05 0.00 0.00 46.19 44.80 2dm8 s LEU 32 CO -0.06 -1.06 -0.03 -0.55 -0.55 0.00 0.00 176.35 174.10 2dm8 s SER 33 N -3.33 0.29 0.32 1.48 0.15 0.28 -4.88 113.70 108.02 2dm8 s SER 33 Ca 0.40 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.80 2dm8 s SER 33 Cb 0.03 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.31 2dm8 s SER 33 CO 0.25 -0.15 0.01 0.27 1.20 0.00 0.00 173.24 174.82 2dm8 s ILE 34 N -0.83 1.49 -0.26 6.45 -4.36 -1.26 -1.34 121.20 121.09 2dm8 s ILE 34 Ca -0.08 -2.05 -0.23 0.00 -0.26 0.00 0.00 60.65 58.03 2dm8 s ILE 34 Cb -0.06 -2.69 0.07 0.00 1.25 0.00 0.00 42.46 41.03 2dm8 s ILE 34 CO -0.00 -0.12 0.69 0.68 0.24 0.00 0.00 174.94 176.42 2dm8 s VAL 35 N -3.10 -0.00 -0.86 8.37 -7.23 -0.24 -4.69 120.40 112.66 2dm8 s VAL 35 Ca 0.34 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 2dm8 s VAL 35 Cb 0.07 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 36.05 2dm8 s VAL 35 CO 0.14 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.54 2dm8 n GLY 36 N 2.82 0.30 3.16 2.32 0.00 -1.26 -1.68 105.19 110.85 2dm8 n GLY 36 Ca -0.14 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.71 3.95 -0.02 0.00 -1.14 -3.63 105.19 105.06 2dm8 n GLY 37 Ca 0.00 -1.17 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 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 3.13 -1.02 1.61 1.02 -1.14 -4.21 119.74 119.13 2dm8 s LYS 38 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.49 2dm8 s LYS 38 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2dm8 s LYS 38 CO 0.00 -0.18 0.00 -3.47 -0.92 0.00 0.00 175.35 170.78 2dm8 n ASP 39 N -2.00 -3.26 -4.37 2.83 2.03 -1.26 -4.47 116.55 106.05 2dm8 n ASP 39 Ca 0.00 0.25 -0.21 0.00 0.52 0.00 0.00 54.79 55.35 2dm8 n ASP 39 Cb 0.57 -2.92 -0.11 0.00 -0.72 0.00 0.00 41.12 37.95 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2dm8 s THR 40 N -2.28 1.94 -2.00 5.18 -4.23 -1.26 -5.01 115.64 107.98 2dm8 s THR 40 Ca 0.00 -2.11 0.12 0.00 -1.18 0.00 0.00 61.69 58.52 2dm8 s THR 40 Cb 0.00 -2.01 0.35 0.00 1.34 0.00 0.00 72.50 72.18 2dm8 s THR 40 CO 0.00 -0.41 1.16 -0.81 -0.54 0.00 0.00 174.62 174.02 2dm8 n PRO 41 N -0.10 0.49 -3.81 3.99 -0.04 -1.26 -4.60 135.00 129.66 2dm8 n PRO 41 Ca -0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.22 2dm8 n PRO 41 Cb 0.59 -1.39 -0.16 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.79 1.30 -0.30 1.53 2.34 -1.26 -5.02 118.68 115.47 2dm8 s LEU 42 Ca 0.18 0.02 0.07 0.00 0.06 0.00 0.00 54.13 54.46 2dm8 s LEU 42 Cb 0.08 -0.07 0.60 0.00 -0.56 0.00 0.00 46.19 46.25 2dm8 s LEU 42 CO 0.14 -0.10 1.67 0.59 -1.06 0.00 0.00 176.35 177.60 2dm8 n ASN 43 N 3.92 4.14 -3.70 1.48 3.02 -1.26 -2.88 115.26 119.99 2dm8 n ASN 43 Ca -0.24 -3.11 -0.17 0.00 -0.03 0.00 0.00 54.58 51.03 2dm8 n ASN 43 Cb 0.52 -0.73 -0.16 0.00 -0.61 0.00 0.00 39.78 38.80 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 -2.62 -0.04 0.10 5.41 0.00 -1.26 -4.82 121.76 118.53 2dm8 s ALA 44 Ca 0.46 0.44 -0.31 0.00 0.00 0.00 0.00 51.96 52.56 2dm8 s ALA 44 Cb 0.38 -0.61 -0.09 0.00 0.00 0.00 0.00 23.12 22.80 2dm8 s ALA 44 CO 0.11 -0.40 1.63 0.42 0.00 0.00 0.00 175.76 177.52 2dm8 s ILE 45 N 1.86 2.90 0.04 0.00 -1.09 -1.25 -4.56 121.20 119.10 2dm8 s ILE 45 Ca -0.01 0.47 0.06 0.00 -2.23 0.00 0.00 60.65 58.95 2dm8 s ILE 45 Cb -0.12 -3.30 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2dm8 s ILE 45 CO -0.05 0.01 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.81 2dm8 s VAL 46 N 2.16 1.40 -0.68 2.92 1.01 -0.67 0.21 120.40 126.74 2dm8 s VAL 46 Ca 0.73 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 2dm8 s VAL 46 Cb -0.41 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2dm8 s VAL 46 CO 0.32 0.11 1.22 -0.63 0.00 0.00 0.00 175.10 176.12 2dm8 s ILE 47 N -0.83 3.87 0.07 2.22 1.01 -0.99 -1.07 121.20 125.48 2dm8 s ILE 47 Ca 0.05 0.48 -0.36 0.00 0.00 0.00 0.00 60.65 60.81 2dm8 s ILE 47 Cb -0.08 -4.84 -0.19 0.00 0.01 0.00 0.00 42.46 37.36 2dm8 s ILE 47 CO 0.02 -1.67 1.58 -0.74 0.00 0.00 0.00 174.94 174.13 2dm8 h HIS 48 N 9.84 -1.23 -3.61 3.97 -0.00 -1.42 -3.18 115.15 119.51 2dm8 h HIS 48 Ca -0.27 -0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 59.96 2dm8 h HIS 48 Cb 1.05 0.43 -0.18 0.00 -0.00 0.00 0.00 27.41 28.72 2dm8 h HIS 48 CO 1.09 -0.71 -0.44 -2.00 -0.00 0.00 0.00 177.93 175.86 2dm8 s GLU 49 N -5.97 0.63 -0.54 5.26 2.12 -1.25 -4.79 118.70 114.16 2dm8 s GLU 49 Ca -0.19 -0.63 0.04 0.00 0.36 0.00 0.00 54.97 54.55 2dm8 s GLU 49 Cb 0.03 0.26 0.14 0.00 0.26 0.00 0.00 34.13 34.81 2dm8 s GLU 49 CO 0.61 -0.17 0.29 0.08 -0.54 0.00 0.00 175.26 175.53 2dm8 s VAL 50 N -2.40 2.67 -0.90 3.70 1.01 -1.26 -0.55 120.40 122.67 2dm8 s VAL 50 Ca -0.06 -3.42 -0.33 0.00 0.00 0.00 0.00 61.98 58.17 2dm8 s VAL 50 Cb -0.02 -2.84 -0.21 0.00 0.00 0.00 0.00 36.38 33.31 2dm8 s VAL 50 CO -0.03 -0.83 2.60 -1.22 0.00 0.00 0.00 175.10 175.62 2dm8 n TYR 51 N 3.00 0.69 -0.53 5.22 4.01 -0.27 -4.69 117.16 124.58 2dm8 n TYR 51 Ca 0.07 0.43 0.43 0.00 -0.16 0.00 0.00 57.90 58.66 2dm8 n TYR 51 Cb 0.33 -2.38 0.73 0.00 -0.31 0.00 0.00 39.34 37.70 2dm8 n TYR 51 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2dm8 h GLU 52 N 11.84 0.04 -1.92 -0.72 5.08 -1.97 0.30 114.58 127.24 2dm8 h GLU 52 Ca -0.07 -0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.82 2dm8 h GLU 52 Cb 1.32 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.40 2dm8 h GLU 52 CO 1.33 0.03 0.38 0.39 -1.00 0.00 0.00 179.01 180.14 2dm8 n GLU 53 N -4.38 2.31 -4.20 2.33 1.02 -1.26 -4.33 120.64 112.13 2dm8 n GLU 53 Ca 0.39 -2.21 -0.12 0.00 -0.02 0.00 0.00 57.16 55.20 2dm8 n GLU 53 Cb 1.64 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 30.89 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2dm8 s GLY 54 N 0.34 0.98 0.19 0.62 0.00 0.11 -4.83 107.32 104.73 2dm8 s GLY 54 Ca 0.55 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 2dm8 s GLY 54 CO -0.18 -1.49 1.78 0.00 0.00 0.00 0.00 173.10 173.20 2dm8 h ALA 55 N 2.84 0.69 0.62 3.20 0.00 -1.79 -0.52 119.26 124.32 2dm8 h ALA 55 Ca -0.36 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 2dm8 h ALA 55 Cb 1.18 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2dm8 h ALA 55 CO 0.64 -0.10 -0.44 0.00 0.00 0.00 0.00 179.25 179.35 2dm8 h ALA 56 N 1.31 -1.07 -0.50 0.00 0.00 -1.89 -2.93 119.26 114.18 2dm8 h ALA 56 Ca 0.25 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2dm8 h ALA 56 Cb 0.18 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2dm8 h ALA 56 CO -0.19 -1.13 0.08 0.00 0.00 0.00 0.00 179.25 178.01 2dm8 h ALA 57 N -0.81 0.54 -1.34 0.00 0.00 -1.75 -0.98 119.26 114.92 2dm8 h ALA 57 Ca -0.08 0.12 0.46 0.00 0.00 0.00 0.00 54.91 55.41 2dm8 h ALA 57 Cb 0.84 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 2dm8 h ALA 57 CO 0.04 -0.33 0.86 0.54 0.00 0.00 0.00 179.25 180.36 2dm8 n ARG 58 N -5.14 -0.04 -0.01 0.00 5.12 -0.22 0.22 116.66 116.59 2dm8 n ARG 58 Ca 0.06 1.22 -0.11 0.00 -1.93 0.00 0.00 57.85 57.09 2dm8 n ARG 58 Cb 0.25 -2.40 -0.09 0.00 -1.16 0.00 0.00 32.46 29.07 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 -0.07 -0.25 0.55 1.82 -1.16 -3.49 116.42 113.81 2dm8 h ASP 59 Ca 0.86 -0.54 0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2dm8 h ASP 59 Cb 2.76 0.02 0.00 0.00 0.68 0.00 0.00 39.33 42.79 2dm8 h ASP 59 CO -0.45 0.62 0.00 0.61 -1.61 0.00 0.00 179.24 178.41 2dm8 n GLY 60 N 1.09 1.10 0.60 -0.78 0.00 0.13 -5.02 105.19 102.32 2dm8 n GLY 60 Ca -0.07 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.59 0.27 -2.38 1.61 5.12 -1.26 -4.98 116.66 114.45 2dm8 n ARG 61 Ca 0.00 0.11 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 2dm8 n ARG 61 Cb 0.23 -0.96 -0.03 0.00 -1.16 0.00 0.00 32.46 30.55 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 -6.98 4.26 0.66 0.55 1.43 -1.26 -4.98 118.68 112.36 2dm8 s LEU 62 Ca -0.17 1.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.81 2dm8 s LEU 62 Cb 0.05 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.82 2dm8 s LEU 62 CO 0.22 -0.67 0.92 0.26 0.23 0.00 0.00 176.35 177.31 2dm8 s TRP 63 N 2.64 1.71 -0.38 0.29 0.52 -1.26 -4.88 118.94 117.58 2dm8 s TRP 63 Ca 0.58 -0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.43 2dm8 s TRP 63 Cb -0.26 -2.79 0.59 0.00 -1.15 0.00 0.00 33.47 29.87 2dm8 s TRP 63 CO 0.21 -1.47 1.59 0.00 0.02 0.00 0.00 176.95 177.30 2dm8 n ALA 64 N -2.64 4.21 -1.54 0.98 0.00 -1.26 -3.99 120.51 116.28 2dm8 n ALA 64 Ca 0.14 -1.86 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2dm8 n ALA 64 Cb 0.61 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.09 -0.94 3.92 0.00 0.00 -1.20 -4.41 105.19 102.46 2dm8 n GLY 65 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.21 5.78 -0.23 1.61 -1.08 -1.26 -4.87 116.67 116.41 2dm8 s ASP 66 Ca 0.00 0.72 -0.02 0.00 -0.52 0.00 0.00 52.55 52.73 2dm8 s ASP 66 Cb 0.00 -1.81 0.02 0.00 -1.46 0.00 0.00 42.92 39.66 2dm8 s ASP 66 CO 0.00 -0.91 -0.07 -1.10 0.52 0.00 0.00 175.17 173.60 2dm8 s GLN 67 N -4.89 2.96 0.11 4.34 -0.21 -1.25 -2.34 119.66 118.38 2dm8 s GLN 67 Ca 0.52 -0.89 -0.24 0.00 0.02 0.00 0.00 55.36 54.76 2dm8 s GLN 67 Cb -0.10 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.90 2dm8 s GLN 67 CO 0.44 -0.34 0.75 0.42 -2.12 0.00 0.00 175.29 174.44 2dm8 s ILE 68 N 1.35 4.55 -0.15 1.08 1.01 0.13 -2.27 121.20 126.90 2dm8 s ILE 68 Ca 0.02 1.61 -0.02 0.00 0.00 0.00 0.00 60.65 62.26 2dm8 s ILE 68 Cb -0.16 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 2dm8 s ILE 68 CO -0.05 0.47 -0.15 0.18 0.00 0.00 0.00 174.94 175.38 2dm8 n LEU 69 N 2.06 2.27 -4.01 2.97 4.77 -0.87 -3.82 117.00 120.37 2dm8 n LEU 69 Ca -0.05 0.02 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 2dm8 n LEU 69 Cb 0.49 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 41.01 2dm8 n LEU 69 CO 0.46 0.58 -0.26 -0.70 -1.33 0.00 0.00 177.39 176.14 2dm8 s GLU 70 N -2.28 0.70 -0.10 3.23 2.12 -1.25 -0.78 118.70 120.33 2dm8 s GLU 70 Ca -0.20 -1.13 -0.06 0.00 0.36 0.00 0.00 54.97 53.94 2dm8 s GLU 70 Cb 0.06 0.26 0.04 0.00 0.26 0.00 0.00 34.13 34.75 2dm8 s GLU 70 CO 0.31 -0.17 0.24 0.54 -0.54 0.00 0.00 175.26 175.63 2dm8 s VAL 71 N -3.90 -0.03 -0.37 3.70 0.11 -1.15 -2.31 120.40 116.45 2dm8 s VAL 71 Ca 0.07 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2dm8 s VAL 71 Cb 0.07 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2dm8 s VAL 71 CO -0.10 0.04 0.06 -3.20 -3.33 0.00 0.00 175.10 168.57 2dm8 n ASN 72 N 3.82 -1.71 -0.74 3.54 4.05 0.10 0.13 115.26 124.44 2dm8 n ASN 72 Ca -0.21 0.30 -0.03 0.00 0.45 0.00 0.00 54.58 55.09 2dm8 n ASN 72 Cb 0.55 -1.56 0.01 0.00 1.23 0.00 0.00 39.78 40.00 2dm8 n ASN 72 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dm8 n GLY 73 N -0.62 0.65 2.71 8.20 0.00 -1.26 -5.04 105.19 109.83 2dm8 n GLY 73 Ca -0.02 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.82 1.03 -0.31 1.61 1.01 0.35 -5.09 120.40 116.18 2dm8 s VAL 74 Ca 0.06 -1.83 -0.43 0.00 0.00 0.00 0.00 61.98 59.77 2dm8 s VAL 74 Cb -0.02 -1.76 -0.19 0.00 0.00 0.00 0.00 36.38 34.41 2dm8 s VAL 74 CO 0.07 -0.77 1.49 -0.67 0.00 0.00 0.00 175.10 175.22 2dm8 n ASP 75 N 4.34 1.20 -0.00 3.32 -0.08 -1.26 -2.91 116.55 121.15 2dm8 n ASP 75 Ca 0.03 1.16 0.05 0.00 -1.51 0.00 0.00 54.79 54.51 2dm8 n ASP 75 Cb 0.39 -0.96 -0.07 0.00 2.34 0.00 0.00 41.12 42.82 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 3.60 0.24 0.11 -2.67 4.77 0.04 -4.47 117.00 118.62 2dm8 n LEU 76 Ca 0.27 -0.25 0.20 0.00 -0.03 0.00 0.00 56.01 56.19 2dm8 n LEU 76 Cb 0.03 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.85 2dm8 n LEU 76 CO 0.80 0.06 1.18 0.03 -1.33 0.00 0.00 177.39 178.12 2dm8 h ARG 77 N 0.00 0.00 -0.75 3.23 3.08 -1.74 -1.28 114.38 116.92 2dm8 h ARG 77 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.67 2dm8 h ARG 77 Cb 0.35 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.99 2dm8 h ARG 77 CO 0.00 0.00 -1.02 0.27 -1.07 0.00 0.00 179.97 178.15 2dm8 n ASN 78 N -3.59 2.74 -4.49 7.04 6.94 -1.26 -4.85 115.26 117.78 2dm8 n ASN 78 Ca 0.07 -2.79 -0.27 0.00 -0.02 0.00 0.00 54.58 51.57 2dm8 n ASN 78 Cb 0.62 -0.45 -0.11 0.00 -2.36 0.00 0.00 39.78 37.48 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2dm8 s SER 79 N -3.59 3.84 0.35 0.53 0.01 -0.48 -5.01 113.70 109.35 2dm8 s SER 79 Ca 0.35 -0.70 -0.26 0.00 1.31 0.00 0.00 55.95 56.66 2dm8 s SER 79 Cb 0.38 -0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2dm8 s SER 79 CO -0.02 0.12 1.00 -0.55 0.41 0.00 0.00 173.24 174.20 2dm8 s SER 80 N -2.66 7.11 0.23 2.44 0.15 -1.26 -2.88 113.70 116.84 2dm8 s SER 80 Ca 0.22 1.96 -0.05 0.00 0.70 0.00 0.00 55.95 58.78 2dm8 s SER 80 Cb -0.09 -2.59 0.42 0.00 -1.71 0.00 0.00 66.02 62.06 2dm8 s SER 80 CO 0.12 -0.24 1.26 1.57 1.20 0.00 0.00 173.24 177.16 2dm8 n HIS 81 N 0.38 0.34 -0.07 3.44 -0.00 -1.24 0.13 115.22 118.20 2dm8 n HIS 81 Ca 0.03 0.98 -0.10 0.00 0.46 0.00 0.00 57.72 59.09 2dm8 n HIS 81 Cb 0.49 -1.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.33 2dm8 n HIS 81 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2dm8 h GLU 82 N 0.00 0.34 -1.00 1.57 5.08 -1.91 -2.70 114.58 115.96 2dm8 h GLU 82 Ca 0.41 -0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.88 2dm8 h GLU 82 Cb 0.68 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 2dm8 h GLU 82 CO -0.82 0.38 0.62 0.93 -1.00 0.00 0.00 179.01 179.12 2dm8 h GLU 83 N 0.23 0.80 -0.60 2.33 4.39 0.66 -0.07 114.58 122.32 2dm8 h GLU 83 Ca 0.08 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2dm8 h GLU 83 Cb 0.16 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 2dm8 h GLU 83 CO -0.01 0.53 0.18 0.00 -1.16 0.00 0.00 179.01 178.55 2dm8 h ALA 84 N 1.61 0.79 0.47 3.43 0.00 -0.86 -2.10 119.26 122.60 2dm8 h ALA 84 Ca 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2dm8 h ALA 84 Cb 0.79 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dm8 h ALA 84 CO -0.34 0.47 -0.22 0.82 0.00 0.00 0.00 179.25 179.98 2dm8 h ILE 85 N 0.87 0.51 -0.97 0.00 1.08 -0.77 -2.85 117.51 115.37 2dm8 h ILE 85 Ca 0.19 -0.25 0.17 0.00 -0.39 0.00 0.00 64.86 64.58 2dm8 h ILE 85 Cb 0.31 0.63 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2dm8 h ILE 85 CO -0.00 0.04 0.61 0.74 -0.69 0.00 0.00 178.15 178.85 2dm8 h THR 86 N -0.78 0.78 0.00 -0.27 2.02 -1.24 0.44 112.91 113.86 2dm8 h THR 86 Ca -0.06 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2dm8 h THR 86 Cb 0.55 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2dm8 h THR 86 CO 0.11 0.14 -0.00 0.00 0.37 0.00 0.00 175.52 176.13 2dm8 h ALA 87 N 1.60 1.01 0.00 6.16 0.00 -1.21 -0.29 119.26 126.54 2dm8 h ALA 87 Ca 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2dm8 h ALA 87 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2dm8 h ALA 87 CO -0.29 0.01 -0.81 1.28 0.00 0.00 0.00 179.25 179.44 2dm8 n LEU 88 N -3.11 0.69 -0.00 0.00 4.77 0.15 -3.81 117.00 115.70 2dm8 n LEU 88 Ca -0.01 0.17 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2dm8 n LEU 88 Cb 0.18 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2dm8 n LEU 88 CO 0.23 -0.05 -0.10 0.54 -1.33 0.00 0.00 177.39 176.69 2dm8 n ARG 89 N -2.16 0.78 -0.38 3.23 1.74 -0.44 -4.22 116.66 115.22 2dm8 n ARG 89 Ca 0.02 -0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 2dm8 n ARG 89 Cb 0.46 -1.39 0.29 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.50 3.00 -2.78 5.56 6.02 -0.25 -4.97 117.38 122.46 2dm8 n GLN 90 Ca 0.03 -2.58 -0.40 0.00 -0.01 0.00 0.00 57.00 54.04 2dm8 n GLN 90 Cb 0.31 -1.58 -0.06 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.26 4.18 0.00 5.09 -4.23 -1.25 -5.05 115.64 113.13 2dm8 s THR 91 Ca 0.43 2.03 0.00 0.00 -1.18 0.00 0.00 61.69 62.97 2dm8 s THR 91 Cb 0.24 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.78 2dm8 s THR 91 CO 0.26 0.47 0.00 -0.81 -0.54 0.00 0.00 174.62 174.01 2dm8 n PRO 92 N 1.71 -0.02 -0.30 3.99 -0.04 -1.26 -4.89 135.00 134.20 2dm8 n PRO 92 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 2dm8 n PRO 92 Cb 0.48 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.64 -4.99 0.54 4.15 -1.95 -3.38 115.11 110.12 2dm8 h GLN 93 Ca 0.00 -0.04 -0.64 0.00 0.77 0.00 0.00 58.65 58.74 2dm8 h GLN 93 Cb 0.00 -0.14 -0.21 0.00 0.21 0.00 0.00 27.48 27.34 2dm8 h GLN 93 CO 0.00 0.42 -0.60 0.15 -1.93 0.00 0.00 178.83 176.87 2dm8 s LYS 94 N -5.98 3.74 -0.35 1.69 1.02 -1.26 -0.14 119.74 118.46 2dm8 s LYS 94 Ca -0.12 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 55.33 2dm8 s LYS 94 Cb 0.21 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.20 2dm8 s LYS 94 CO 0.78 -0.12 0.18 0.08 -0.92 0.00 0.00 175.35 175.36 2dm8 s VAL 95 N 1.44 4.52 -0.17 3.17 1.01 -0.09 -4.93 120.40 125.34 2dm8 s VAL 95 Ca 0.06 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2dm8 s VAL 95 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2dm8 s VAL 95 CO 0.04 -0.15 0.00 -0.60 0.00 0.00 0.00 175.10 174.39 2dm8 s ARG 96 N 1.56 3.75 0.06 2.72 3.00 -1.26 -1.19 118.95 127.60 2dm8 s ARG 96 Ca 0.02 -0.46 0.00 0.00 -1.00 0.00 0.00 55.73 54.29 2dm8 s ARG 96 Cb -0.19 -3.05 -0.04 0.00 0.00 0.00 0.00 34.95 31.68 2dm8 s ARG 96 CO 0.06 0.20 -0.05 -0.51 0.00 0.00 0.00 175.30 175.00 2dm8 s LEU 97 N 0.51 2.45 -0.30 -0.88 1.02 -0.41 0.01 118.68 121.09 2dm8 s LEU 97 Ca -0.01 -0.91 -0.05 0.00 0.02 0.00 0.00 54.13 53.18 2dm8 s LEU 97 Cb -0.14 0.06 0.02 0.00 0.02 0.00 0.00 46.19 46.16 2dm8 s LEU 97 CO 0.02 -0.49 0.05 -0.69 0.02 0.00 0.00 176.35 175.27 2dm8 s VAL 98 N -3.34 3.63 0.01 -1.59 1.01 -0.98 -0.55 120.40 118.60 2dm8 s VAL 98 Ca 0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2dm8 s VAL 98 Cb 0.04 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2dm8 s VAL 98 CO -0.06 0.02 0.11 0.68 0.00 0.00 0.00 175.10 175.84 2dm8 s VAL 99 N 1.42 4.88 -0.11 2.92 -7.23 -0.60 -2.05 120.40 119.64 2dm8 s VAL 99 Ca 0.00 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.75 2dm8 s VAL 99 Cb -0.18 -3.27 0.02 0.00 0.56 0.00 0.00 36.38 33.51 2dm8 s VAL 99 CO 0.01 0.29 -0.07 -0.47 -0.31 0.00 0.00 175.10 174.56 2dm8 s TYR 100 N -1.27 1.36 -0.59 2.82 5.04 -0.96 -2.67 117.35 121.07 2dm8 s TYR 100 Ca 0.26 -0.65 0.05 0.00 -2.44 0.00 0.00 57.07 54.29 2dm8 s TYR 100 Cb -0.12 -1.16 0.18 0.00 0.35 0.00 0.00 41.96 41.20 2dm8 s TYR 100 CO 0.17 -0.48 0.46 -2.13 -1.34 0.00 0.00 175.55 172.23 2dm8 n ARG 101 N 4.93 1.26 -1.18 4.97 0.63 -1.26 -3.82 116.66 122.20 2dm8 n ARG 101 Ca -0.12 -4.00 -0.36 0.00 -0.92 0.00 0.00 57.85 52.44 2dm8 n ARG 101 Cb 0.50 -2.03 0.06 0.00 0.45 0.00 0.00 32.46 31.43 2dm8 n ARG 101 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 2dm8 n ASP 102 N 2.18 -2.62 -1.96 6.15 5.75 -1.26 -1.97 116.55 122.82 2dm8 n ASP 102 Ca 0.24 0.51 -0.15 0.00 -0.01 0.00 0.00 54.79 55.38 2dm8 n ASP 102 Cb 0.40 -1.06 0.22 0.00 -1.03 0.00 0.00 41.12 39.65 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 2dm8 n GLU 103 N 0.22 2.58 -2.90 0.11 0.28 -1.26 -4.55 120.64 115.12 2dm8 n GLU 103 Ca 0.07 -3.06 -0.43 0.00 -0.16 0.00 0.00 57.16 53.59 2dm8 n GLU 103 Cb 0.51 -2.12 -0.05 0.00 1.43 0.00 0.00 31.44 31.21 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 -3.20 3.30 -1.37 -1.84 0.00 -1.26 -4.02 121.76 113.37 2dm8 s ALA 104 Ca 0.54 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.60 2dm8 s ALA 104 Cb 0.45 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2dm8 s ALA 104 CO 0.10 -1.88 1.08 0.72 0.00 0.00 0.00 175.76 175.78 2dm8 n HIS 105 N 6.84 -2.60 -0.02 0.00 8.25 -1.26 -4.89 115.22 121.54 2dm8 n HIS 105 Ca 0.04 0.97 -0.04 0.00 -0.26 0.00 0.00 57.72 58.44 2dm8 n HIS 105 Cb 0.48 -4.80 -0.02 0.00 1.12 0.00 0.00 29.99 26.78 2dm8 n HIS 105 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2dm8 n TYR 106 N -4.75 0.00 -2.75 4.41 9.36 -1.26 -5.06 117.16 117.11 2dm8 n TYR 106 Ca -0.05 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.89 2dm8 n TYR 106 Cb 0.58 -0.15 -0.01 0.00 -0.63 0.00 0.00 39.34 39.14 2dm8 n TYR 106 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2dm8 s ARG 107 N -2.08 3.56 0.31 2.98 3.52 -1.26 -5.10 118.95 120.88 2dm8 s ARG 107 Ca -0.06 0.16 0.09 0.00 -0.13 0.00 0.00 55.73 55.80 2dm8 s ARG 107 Cb 0.02 -2.41 -0.05 0.00 -1.56 0.00 0.00 34.95 30.95 2dm8 s ARG 107 CO 0.08 -0.14 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.90 2dm8 s ASP 108 N -3.99 4.24 -0.15 -2.12 1.01 -1.26 -5.05 116.67 109.35 2dm8 s ASP 108 Ca 0.47 -0.89 0.18 0.00 0.71 0.00 0.00 52.55 53.02 2dm8 s ASP 108 Cb -0.10 -0.60 -0.25 0.00 1.01 0.00 0.00 42.92 42.98 2dm8 s ASP 108 CO 0.42 -0.14 0.21 1.21 0.21 0.00 0.00 175.17 177.08 2dm8 n GLU 109 N -0.91 0.68 -0.04 8.23 4.07 -1.26 -4.50 120.64 126.91 2dm8 n GLU 109 Ca -0.05 0.02 -0.12 0.00 -0.06 0.00 0.00 57.16 56.95 2dm8 n GLU 109 Cb 0.61 -1.56 -0.10 0.00 -0.06 0.00 0.00 31.44 30.32 2dm8 n GLU 109 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2dm8 h GLU 110 N 0.00 -0.03 -0.73 5.31 3.07 -1.97 -3.14 114.58 117.08 2dm8 h GLU 110 Ca -0.45 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.53 2dm8 h GLU 110 Cb 2.07 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 29.87 2dm8 h GLU 110 CO 0.03 0.68 -0.27 0.45 -1.40 0.00 0.00 179.01 178.50 2dm8 n SER 111 N -4.72 -0.45 0.00 1.42 2.88 -1.26 -3.88 113.62 107.60 2dm8 n SER 111 Ca -0.08 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2dm8 n SER 111 Cb 0.36 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm8 n GLY 112 N -1.36 1.31 3.59 0.46 0.00 -1.25 -4.85 105.19 103.08 2dm8 n GLY 112 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 0.21 3.19 -0.08 1.61 0.04 -1.19 -4.99 135.00 133.79 2dm8 s PRO 113 Ca 0.00 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2dm8 s PRO 113 Cb 0.00 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 2dm8 s PRO 113 CO 0.00 -2.04 -0.06 -1.54 0.04 0.00 0.00 177.00 173.40 2dm8 s SER 114 N 6.24 4.71 -0.04 6.66 1.04 -1.25 -4.23 113.70 126.82 2dm8 s SER 114 Ca 0.73 -0.01 -0.18 0.00 0.48 0.00 0.00 55.95 56.97 2dm8 s SER 114 Cb -0.18 -1.24 -0.11 0.00 0.10 0.00 0.00 66.02 64.59 2dm8 s SER 114 CO 0.30 0.35 0.74 -1.28 0.98 0.00 0.00 173.24 174.33 2dm8 h SER 115 N 5.34 -0.40 -0.02 7.02 0.87 -1.93 -3.53 113.55 120.91 2dm8 h SER 115 Ca -0.48 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.00 2dm8 h SER 115 Cb 1.18 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2dm8 h SER 115 CO 0.53 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.50