#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 6.50 0.00 1.61 0.01 -1.26 -5.02 113.70 115.54 2dm8 s SER 2 Ca 0.00 0.59 -0.35 0.00 1.31 0.00 0.00 55.95 57.50 2dm8 s SER 2 Cb 0.00 -2.09 -0.14 0.00 0.21 0.00 0.00 66.02 64.00 2dm8 s SER 2 CO 0.00 0.09 1.69 -1.20 0.41 0.00 0.00 173.24 174.23 2dm8 n SER 3 N 0.29 2.99 0.00 2.44 7.64 -1.26 -4.92 113.62 120.80 2dm8 n SER 3 Ca -0.04 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2dm8 n SER 3 Cb 0.52 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2dm8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 4 N 3.80 1.02 3.57 0.23 0.00 -1.26 -5.06 105.19 107.50 2dm8 n GLY 4 Ca 0.21 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 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 0.00 3.58 0.16 1.61 0.15 -1.26 -4.88 113.70 113.06 2dm8 s SER 5 Ca 0.00 -0.76 0.07 0.00 0.70 0.00 0.00 55.95 55.96 2dm8 s SER 5 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2dm8 s SER 5 CO 0.00 -4.51 0.01 -0.44 1.20 0.00 0.00 173.24 169.50 2dm8 s SER 6 N 9.01 4.87 -0.33 5.45 0.01 -1.26 -4.82 113.70 126.62 2dm8 s SER 6 Ca 0.84 -0.34 -0.28 0.00 1.31 0.00 0.00 55.95 57.47 2dm8 s SER 6 Cb -0.07 -1.08 0.04 0.00 0.21 0.00 0.00 66.02 65.13 2dm8 s SER 6 CO 0.15 0.10 0.48 0.61 0.41 0.00 0.00 173.24 175.00 2dm8 n GLY 7 N -0.04 -0.03 0.00 3.44 0.00 -1.26 -4.71 105.19 102.59 2dm8 n GLY 7 Ca -0.10 0.87 0.06 0.00 0.00 0.00 0.00 46.02 46.85 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 0.20 0.49 -0.09 1.61 -0.04 -1.26 -2.92 135.00 132.99 2dm8 n PRO 8 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 2dm8 n PRO 8 Cb 0.62 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.85 0.78 -0.12 0.55 0.00 -1.26 -4.18 120.51 115.42 2dm8 n ALA 9 Ca 0.08 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 2dm8 n ALA 9 Cb 0.04 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.53 2dm8 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h THR 10 N -1.00 0.93 -3.67 0.00 1.03 -1.90 -3.41 112.91 104.88 2dm8 h THR 10 Ca -0.03 -0.12 -0.50 0.00 -0.01 0.00 0.00 66.41 65.75 2dm8 h THR 10 Cb 0.90 0.56 -0.02 0.00 -1.07 0.00 0.00 68.15 68.51 2dm8 h THR 10 CO -0.02 0.06 0.27 0.00 -0.01 0.00 0.00 175.52 175.82 2dm8 n PRO 12 N 1.30 0.06 -3.14 0.00 -0.04 -1.26 -4.78 135.00 127.13 2dm8 n PRO 12 Ca -0.03 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 2dm8 n PRO 12 Cb 0.48 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.47 4.87 -0.37 0.52 1.01 -1.26 -5.00 121.20 120.51 2dm8 s ILE 13 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 2dm8 s ILE 13 Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2dm8 s ILE 13 CO 0.00 -0.55 0.93 -0.69 0.00 0.00 0.00 174.94 174.62 2dm8 s VAL 14 N 2.70 4.58 0.54 2.92 1.01 -1.26 -5.04 120.40 125.85 2dm8 s VAL 14 Ca 0.21 1.16 -0.09 0.00 0.00 0.00 0.00 61.98 63.26 2dm8 s VAL 14 Cb -0.15 -4.34 0.13 0.00 0.00 0.00 0.00 36.38 32.03 2dm8 s VAL 14 CO 0.18 -0.55 0.48 -0.81 0.00 0.00 0.00 175.10 174.39 2dm8 n PRO 15 N 6.80 -1.96 0.00 2.72 -0.04 -1.26 -4.08 135.00 137.18 2dm8 n PRO 15 Ca 0.07 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 2dm8 n PRO 15 Cb 0.48 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 2dm8 n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm8 n GLY 16 N -0.72 1.07 3.31 0.55 0.00 -0.83 -4.79 105.19 103.78 2dm8 n GLY 16 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2dm8 n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm8 s GLN 17 N 0.00 1.68 0.26 1.61 -2.07 -1.26 -4.73 119.66 115.15 2dm8 s GLN 17 Ca 0.00 -1.03 -0.31 0.00 -1.82 0.00 0.00 55.36 52.20 2dm8 s GLN 17 Cb 0.00 -1.82 -0.13 0.00 -1.09 0.00 0.00 33.01 29.97 2dm8 s GLN 17 CO 0.00 0.47 1.47 0.39 -1.32 0.00 0.00 175.29 176.30 2dm8 n GLU 18 N 1.86 2.26 -4.31 9.60 4.71 -1.26 -4.66 120.64 128.84 2dm8 n GLU 18 Ca -0.17 0.80 -0.16 0.00 -0.01 0.00 0.00 57.16 57.62 2dm8 n GLU 18 Cb 0.52 -2.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.35 2dm8 n GLU 18 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dm8 s MET 19 N -0.43 1.26 0.07 3.49 0.23 0.77 -5.00 119.30 119.68 2dm8 s MET 19 Ca 0.67 -1.60 0.09 0.00 -1.03 0.00 0.00 55.69 53.82 2dm8 s MET 19 Cb -0.60 -0.68 -0.03 0.00 -1.53 0.00 0.00 34.83 31.99 2dm8 s MET 19 CO 0.49 -0.02 -0.24 0.42 -2.03 0.00 0.00 175.02 173.65 2dm8 s ILE 20 N -3.34 2.38 0.14 3.16 1.09 -1.26 0.51 121.20 123.88 2dm8 s ILE 20 Ca 0.24 -1.46 0.10 0.00 -1.10 0.00 0.00 60.65 58.44 2dm8 s ILE 20 Cb 0.04 -1.99 -0.04 0.00 -1.06 0.00 0.00 42.46 39.41 2dm8 s ILE 20 CO 0.06 0.26 -0.24 0.27 -0.10 0.00 0.00 174.94 175.19 2dm8 s ILE 21 N -0.93 2.10 -0.18 2.92 -4.36 0.09 -4.67 121.20 116.17 2dm8 s ILE 21 Ca 0.14 -1.77 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2dm8 s ILE 21 Cb -0.10 -1.90 0.04 0.00 1.25 0.00 0.00 42.46 41.76 2dm8 s ILE 21 CO 0.05 -0.02 -0.05 -0.70 0.24 0.00 0.00 174.94 174.45 2dm8 s GLU 22 N -2.19 1.45 -0.09 0.37 2.12 -1.26 -2.12 118.70 116.97 2dm8 s GLU 22 Ca 0.13 -0.58 0.04 0.00 0.36 0.00 0.00 54.97 54.93 2dm8 s GLU 22 Cb -0.09 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 32.20 2dm8 s GLU 22 CO 0.06 -0.46 -0.24 0.42 -0.54 0.00 0.00 175.26 174.50 2dm8 s ILE 23 N 1.61 2.04 -0.25 -3.70 1.01 0.53 -4.75 121.20 117.70 2dm8 s ILE 23 Ca -0.00 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.47 2dm8 s ILE 23 Cb -0.16 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 2dm8 s ILE 23 CO -0.08 0.56 0.39 -0.55 0.00 0.00 0.00 174.94 175.26 2dm8 s SER 24 N 0.24 6.32 0.06 3.58 0.15 -1.26 -0.72 113.70 122.06 2dm8 s SER 24 Ca -0.16 0.38 -0.34 0.00 0.70 0.00 0.00 55.95 56.53 2dm8 s SER 24 Cb -0.17 -2.22 -0.13 0.00 -1.71 0.00 0.00 66.02 61.79 2dm8 s SER 24 CO 0.08 -0.16 1.73 0.29 1.20 0.00 0.00 173.24 176.38 2dm8 n LYS 25 N 5.08 2.23 0.00 5.44 5.02 0.08 -4.97 118.16 131.03 2dm8 n LYS 25 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2dm8 n LYS 25 Cb 0.51 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 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 3.90 1.85 0.29 0.72 0.00 -1.26 -4.97 105.19 105.71 2dm8 n GLY 26 Ca 0.19 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.15 -6.24 1.61 9.65 -1.99 -3.40 114.38 113.86 2dm8 h ARG 27 Ca 0.00 0.01 -0.66 0.00 -1.10 0.00 0.00 59.98 58.23 2dm8 h ARG 27 Cb 0.00 0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 28.48 2dm8 h ARG 27 CO 0.00 -0.10 -0.65 -1.12 2.80 0.00 0.00 179.97 180.89 2dm8 s SER 28 N -4.39 5.05 1.15 -3.80 0.01 -1.26 -5.11 113.70 105.34 2dm8 s SER 28 Ca -0.09 -0.08 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 2dm8 s SER 28 Cb 0.06 -1.27 0.17 0.00 0.21 0.00 0.00 66.02 65.20 2dm8 s SER 28 CO 0.40 0.24 0.27 0.61 0.41 0.00 0.00 173.24 175.17 2dm8 n GLY 29 N 1.09 -2.62 3.63 3.44 0.00 -1.26 -4.15 105.19 105.32 2dm8 n GLY 29 Ca -0.13 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dm8 n LEU 30 N -2.38 3.05 -3.14 0.99 4.77 -1.26 -3.29 117.00 115.73 2dm8 n LEU 30 Ca 0.03 1.03 -0.22 0.00 -0.03 0.00 0.00 56.01 56.83 2dm8 n LEU 30 Cb 0.55 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 2dm8 n LEU 30 CO 0.45 -1.32 -0.12 0.61 -1.33 0.00 0.00 177.39 175.68 2dm8 n GLY 31 N 1.11 4.10 1.97 -0.72 0.00 -1.26 -4.67 105.19 105.71 2dm8 n GLY 31 Ca 0.09 -2.02 -0.16 0.00 0.00 0.00 0.00 46.02 43.93 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 0.33 0.00 -4.02 0.99 -0.00 -1.26 -1.05 117.00 111.99 2dm8 n LEU 32 Ca 0.26 -1.63 -0.08 0.00 -0.00 0.00 0.00 56.01 54.57 2dm8 n LEU 32 Cb 0.56 0.11 -0.09 0.00 -0.00 0.00 0.00 43.42 44.00 2dm8 n LEU 32 CO 0.25 -0.31 -0.28 -0.55 -0.00 0.00 0.00 177.39 176.50 2dm8 s SER 33 N -2.57 0.37 0.26 1.45 0.15 0.43 -4.82 113.70 108.96 2dm8 s SER 33 Ca 0.06 -0.91 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 2dm8 s SER 33 Cb -0.00 0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2dm8 s SER 33 CO 0.04 -0.65 0.33 0.27 1.20 0.00 0.00 173.24 174.43 2dm8 s ILE 34 N -3.91 0.00 -0.27 6.45 -4.36 -1.26 -2.41 121.20 115.44 2dm8 s ILE 34 Ca 0.07 -1.73 -0.24 0.00 -0.26 0.00 0.00 60.65 58.50 2dm8 s ILE 34 Cb 0.07 -2.44 0.07 0.00 1.25 0.00 0.00 42.46 41.42 2dm8 s ILE 34 CO -0.10 0.00 0.72 0.68 0.24 0.00 0.00 174.94 176.48 2dm8 s VAL 35 N -3.81 0.00 -0.92 8.37 -7.23 0.45 -4.54 120.40 112.72 2dm8 s VAL 35 Ca 0.32 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 2dm8 s VAL 35 Cb 0.03 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.97 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 2.91 0.31 0.00 2.32 0.00 -1.26 -1.79 105.19 107.68 2dm8 n GLY 36 Ca -0.15 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.92 3.99 -0.02 0.00 -1.21 -3.49 105.19 105.38 2dm8 n GLY 37 Ca 0.00 -1.45 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 2.25 -0.43 1.61 1.02 -1.03 -4.30 119.74 118.86 2dm8 s LYS 38 Ca 0.00 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 54.95 2dm8 s LYS 38 Cb 0.00 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.90 2dm8 s LYS 38 CO 0.00 -0.95 0.14 -0.25 -0.92 0.00 0.00 175.35 173.37 2dm8 n ASP 39 N -2.48 -0.99 -4.34 2.83 8.00 -1.26 -4.71 116.55 113.60 2dm8 n ASP 39 Ca 0.11 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 2dm8 n ASP 39 Cb 0.60 -0.94 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.95 1.89 -1.47 -3.53 -4.23 -1.26 -5.02 115.64 100.07 2dm8 s THR 40 Ca 0.19 -1.92 0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2dm8 s THR 40 Cb -0.11 -1.87 0.27 0.00 1.34 0.00 0.00 72.50 72.13 2dm8 s THR 40 CO 0.24 -0.28 1.40 -0.81 -0.54 0.00 0.00 174.62 174.63 2dm8 n PRO 41 N 0.32 0.23 -3.96 3.99 -0.04 -1.26 -4.52 135.00 129.76 2dm8 n PRO 41 Ca -0.13 0.14 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 2dm8 n PRO 41 Cb 0.57 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.53 1.59 -0.24 1.53 2.34 -1.26 -5.00 118.68 115.11 2dm8 s LEU 42 Ca 0.15 -0.51 0.01 0.00 0.06 0.00 0.00 54.13 53.84 2dm8 s LEU 42 Cb 0.10 -1.03 0.29 0.00 -0.56 0.00 0.00 46.19 44.98 2dm8 s LEU 42 CO 0.22 -0.11 1.58 0.59 -1.06 0.00 0.00 176.35 177.57 2dm8 n ASN 43 N 4.83 4.14 -3.67 1.48 4.13 -1.26 -3.31 115.26 121.60 2dm8 n ASN 43 Ca -0.14 -2.83 -0.10 0.00 1.68 0.00 0.00 54.58 53.19 2dm8 n ASN 43 Cb 0.49 -0.76 -0.10 0.00 -1.54 0.00 0.00 39.78 37.87 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dm8 s ALA 44 N -1.60 -1.02 -0.03 5.41 0.00 -1.26 -4.94 121.76 118.32 2dm8 s ALA 44 Ca 0.27 1.41 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 2dm8 s ALA 44 Cb 0.23 -1.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.11 2dm8 s ALA 44 CO 0.04 -0.61 1.87 0.42 0.00 0.00 0.00 175.76 177.48 2dm8 s ILE 45 N 2.27 3.24 -0.01 0.00 -1.09 -1.26 -4.66 121.20 119.68 2dm8 s ILE 45 Ca -0.03 0.28 0.07 0.00 -2.23 0.00 0.00 60.65 58.74 2dm8 s ILE 45 Cb -0.11 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.55 2dm8 s ILE 45 CO -0.12 -0.04 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.63 2dm8 s VAL 46 N 4.77 2.35 -0.46 2.92 1.01 -0.74 -0.82 120.40 129.43 2dm8 s VAL 46 Ca 0.84 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 2dm8 s VAL 46 Cb -0.38 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.15 2dm8 s VAL 46 CO 0.36 0.54 1.39 -0.63 0.00 0.00 0.00 175.10 176.76 2dm8 s ILE 47 N -0.68 3.90 0.07 2.22 1.01 -1.20 -0.41 121.20 126.10 2dm8 s ILE 47 Ca 0.11 0.89 -0.22 0.00 0.00 0.00 0.00 60.65 61.42 2dm8 s ILE 47 Cb -0.10 -4.30 -0.13 0.00 0.01 0.00 0.00 42.46 37.94 2dm8 s ILE 47 CO 0.00 -0.88 1.59 -0.74 0.00 0.00 0.00 174.94 174.91 2dm8 h HIS 48 N 10.69 0.15 -1.63 3.97 -0.00 -1.71 -3.22 115.15 123.40 2dm8 h HIS 48 Ca -0.27 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.14 2dm8 h HIS 48 Cb 1.10 -0.04 -0.25 0.00 -0.00 0.00 0.00 27.41 28.22 2dm8 h HIS 48 CO 0.99 0.27 0.45 -2.00 -0.00 0.00 0.00 177.93 177.64 2dm8 s GLU 49 N -5.48 0.58 -0.70 5.26 2.12 -1.26 -4.87 118.70 114.35 2dm8 s GLU 49 Ca -0.14 0.47 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 2dm8 s GLU 49 Cb 0.06 0.28 0.18 0.00 0.26 0.00 0.00 34.13 34.91 2dm8 s GLU 49 CO 0.69 -0.11 0.58 0.08 -0.54 0.00 0.00 175.26 175.96 2dm8 s VAL 50 N -0.23 4.63 0.12 3.70 1.01 -1.26 -0.43 120.40 127.95 2dm8 s VAL 50 Ca 0.01 -2.63 -0.35 0.00 0.00 0.00 0.00 61.98 59.01 2dm8 s VAL 50 Cb -0.03 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 32.25 2dm8 s VAL 50 CO -0.03 -0.94 1.35 -1.22 0.00 0.00 0.00 175.10 174.27 2dm8 n TYR 51 N 3.84 1.64 0.03 5.22 4.01 -0.21 -4.84 117.16 126.85 2dm8 n TYR 51 Ca 0.09 0.57 -0.10 0.00 -0.16 0.00 0.00 57.90 58.30 2dm8 n TYR 51 Cb 0.42 -2.37 -0.04 0.00 -0.31 0.00 0.00 39.34 37.05 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 4.57 -0.31 0.00 -0.72 5.08 -1.97 0.10 114.58 121.33 2dm8 h GLU 52 Ca -0.46 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dm8 h GLU 52 Cb 1.32 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2dm8 h GLU 52 CO 0.78 -0.21 0.39 1.05 -1.00 0.00 0.00 179.01 180.03 2dm8 h GLU 53 N -0.32 0.00 -6.96 2.33 4.11 -1.89 -3.39 114.58 108.46 2dm8 h GLU 53 Ca 0.08 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.03 2dm8 h GLU 53 Cb 0.43 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2dm8 h GLU 53 CO -0.24 0.00 0.39 0.20 0.07 0.00 0.00 179.01 179.43 2dm8 s GLY 54 N -3.34 2.71 0.04 1.06 0.00 0.35 -4.75 107.32 103.40 2dm8 s GLY 54 Ca -0.02 0.65 -0.14 0.00 0.00 0.00 0.00 44.72 45.20 2dm8 s GLY 54 CO 0.17 1.06 1.23 0.00 0.00 0.00 0.00 173.10 175.56 2dm8 h ALA 55 N 2.55 -0.75 -1.51 3.20 0.00 -1.71 -0.55 119.26 120.48 2dm8 h ALA 55 Ca -0.48 -0.05 0.44 0.00 0.00 0.00 0.00 54.91 54.82 2dm8 h ALA 55 Cb 1.21 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 2dm8 h ALA 55 CO 0.63 -0.80 1.17 0.00 0.00 0.00 0.00 179.25 180.24 2dm8 n ALA 56 N -2.63 1.45 -0.02 0.00 0.00 -1.26 0.18 120.51 118.22 2dm8 n ALA 56 Ca -0.04 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 53.77 2dm8 n ALA 56 Cb 0.17 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 2dm8 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h ALA 57 N 0.76 0.06 -0.98 0.00 0.00 -1.31 -0.93 119.26 116.85 2dm8 h ALA 57 Ca 0.72 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.56 2dm8 h ALA 57 Cb 3.05 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 20.74 2dm8 h ALA 57 CO -0.01 -0.19 0.61 0.00 0.00 0.00 0.00 179.25 179.66 2dm8 h ARG 58 N -0.33 0.74 -0.01 0.00 2.47 0.19 -2.00 114.38 115.44 2dm8 h ARG 58 Ca 0.01 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.63 2dm8 h ARG 58 Cb 0.49 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2dm8 h ARG 58 CO 0.01 0.49 -0.18 0.38 0.56 0.00 0.00 179.97 181.23 2dm8 h ASP 59 N 0.76 0.19 -0.03 7.04 2.03 -1.47 -3.48 116.42 121.46 2dm8 h ASP 59 Ca 0.53 -0.73 0.00 0.00 -0.73 0.00 0.00 57.03 56.10 2dm8 h ASP 59 Cb 0.81 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.26 2dm8 h ASP 59 CO -0.30 0.89 0.00 0.61 -1.03 0.00 0.00 179.24 179.41 2dm8 n GLY 60 N 0.91 0.73 0.06 7.15 0.00 -0.36 -5.01 105.19 108.67 2dm8 n GLY 60 Ca -0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 2dm8 n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dm8 h ARG 61 N 0.00 0.00 -6.24 1.61 2.47 -1.87 -3.45 114.38 106.90 2dm8 h ARG 61 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 2dm8 h ARG 61 Cb 0.78 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.06 2dm8 h ARG 61 CO 0.00 0.00 0.91 -0.51 0.56 0.00 0.00 179.97 180.93 2dm8 s LEU 62 N -8.28 4.02 -0.04 3.04 1.43 -1.26 -4.98 118.68 112.59 2dm8 s LEU 62 Ca -0.11 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 54.36 2dm8 s LEU 62 Cb 0.01 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2dm8 s LEU 62 CO 0.16 -0.90 0.03 0.26 0.23 0.00 0.00 176.35 176.13 2dm8 s TRP 63 N 3.84 3.18 -0.28 0.29 0.51 -1.26 -4.91 118.94 120.32 2dm8 s TRP 63 Ca 0.53 0.18 -0.31 0.00 -2.12 0.00 0.00 56.10 54.38 2dm8 s TRP 63 Cb -0.18 -1.75 -0.08 0.00 -0.81 0.00 0.00 33.47 30.66 2dm8 s TRP 63 CO 0.17 0.50 2.22 0.00 -0.51 0.00 0.00 176.95 179.33 2dm8 n ALA 64 N 1.70 1.50 0.00 0.98 0.00 -1.26 -2.78 120.51 120.65 2dm8 n ALA 64 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2dm8 n ALA 64 Cb 0.53 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 6.09 1.35 4.01 0.00 0.00 -1.22 -5.05 105.19 110.38 2dm8 n GLY 65 Ca 0.35 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.35 5.33 -0.21 1.61 1.11 -1.12 -4.96 116.67 117.08 2dm8 s ASP 66 Ca 0.00 -0.67 -0.01 0.00 0.18 0.00 0.00 52.55 52.05 2dm8 s ASP 66 Cb 0.00 -0.16 0.06 0.00 1.07 0.00 0.00 42.92 43.89 2dm8 s ASP 66 CO 0.00 -1.05 -0.02 -1.10 1.18 0.00 0.00 175.17 174.19 2dm8 s GLN 67 N -4.49 1.24 0.39 8.23 -0.21 -1.25 -3.26 119.66 120.31 2dm8 s GLN 67 Ca 0.57 -0.74 -0.19 0.00 0.02 0.00 0.00 55.36 55.03 2dm8 s GLN 67 Cb -0.07 -2.36 -0.10 0.00 1.00 0.00 0.00 33.01 31.47 2dm8 s GLN 67 CO 0.35 -0.60 0.88 0.42 -2.12 0.00 0.00 175.29 174.22 2dm8 s ILE 68 N 1.59 4.48 0.00 1.08 1.09 -0.00 -2.08 121.20 127.36 2dm8 s ILE 68 Ca -0.03 1.31 0.00 0.00 -1.10 0.00 0.00 60.65 60.83 2dm8 s ILE 68 Cb -0.18 -3.61 0.00 0.00 -1.06 0.00 0.00 42.46 37.61 2dm8 s ILE 68 CO -0.07 -0.27 0.00 0.18 -0.10 0.00 0.00 174.94 174.68 2dm8 n LEU 69 N -0.53 0.00 -3.50 2.97 4.77 -0.52 -4.05 117.00 116.14 2dm8 n LEU 69 Ca 0.06 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2dm8 n LEU 69 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 2dm8 n LEU 69 CO 0.39 0.00 0.36 -0.70 -1.33 0.00 0.00 177.39 176.11 2dm8 s GLU 70 N -1.75 1.13 -0.03 3.23 2.12 -1.25 -2.35 118.70 119.80 2dm8 s GLU 70 Ca 0.00 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 2dm8 s GLU 70 Cb 0.00 0.52 0.01 0.00 0.26 0.00 0.00 34.13 34.93 2dm8 s GLU 70 CO 0.00 -0.43 0.07 0.54 -0.54 0.00 0.00 175.26 174.89 2dm8 s VAL 71 N -2.61 -0.02 -0.50 3.70 0.11 -1.01 -1.50 120.40 118.57 2dm8 s VAL 71 Ca -0.04 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.00 2dm8 s VAL 71 Cb -0.01 -0.11 0.06 0.00 -1.53 0.00 0.00 36.38 34.80 2dm8 s VAL 71 CO -0.03 0.02 0.16 -3.20 -3.33 0.00 0.00 175.10 168.72 2dm8 n ASN 72 N 3.38 -1.16 -0.97 3.54 2.85 0.72 0.21 115.26 123.82 2dm8 n ASN 72 Ca -0.16 0.01 -0.05 0.00 -0.11 0.00 0.00 54.58 54.27 2dm8 n ASN 72 Cb 0.57 -1.10 0.01 0.00 1.24 0.00 0.00 39.78 40.50 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 -0.63 0.55 2.78 8.20 0.00 -1.26 -5.04 105.19 109.80 2dm8 n GLY 73 Ca 0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.87 0.93 -0.06 1.61 1.01 0.57 -5.10 120.40 116.50 2dm8 s VAL 74 Ca 0.09 -1.11 -0.38 0.00 0.00 0.00 0.00 61.98 60.58 2dm8 s VAL 74 Cb -0.04 -1.51 -0.16 0.00 0.00 0.00 0.00 36.38 34.66 2dm8 s VAL 74 CO 0.11 -0.40 1.49 -0.67 0.00 0.00 0.00 175.10 175.63 2dm8 n ASP 75 N 4.86 1.89 -0.02 3.32 -0.08 -1.26 -2.41 116.55 122.85 2dm8 n ASP 75 Ca -0.06 1.10 0.01 0.00 -1.51 0.00 0.00 54.79 54.33 2dm8 n ASP 75 Cb 0.44 -1.16 -0.07 0.00 2.34 0.00 0.00 41.12 42.67 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 3.61 0.00 0.03 -2.67 4.77 -0.99 -4.51 117.00 117.24 2dm8 n LEU 76 Ca 0.22 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.42 2dm8 n LEU 76 Cb 0.16 0.07 0.70 0.00 -2.33 0.00 0.00 43.42 42.03 2dm8 n LEU 76 CO 0.70 0.07 1.20 0.03 -1.33 0.00 0.00 177.39 178.06 2dm8 h ARG 77 N 0.00 0.00 -1.13 3.23 3.08 -1.85 -0.68 114.38 117.03 2dm8 h ARG 77 Ca -0.08 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.49 2dm8 h ARG 77 Cb 0.81 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.45 2dm8 h ARG 77 CO 0.00 0.00 -0.92 0.09 -1.07 0.00 0.00 179.97 178.07 2dm8 n ASN 78 N -3.66 3.45 -4.38 7.04 4.13 -1.26 -4.89 115.26 115.69 2dm8 n ASN 78 Ca 0.10 -3.25 -0.19 0.00 1.68 0.00 0.00 54.58 52.92 2dm8 n ASN 78 Cb 0.77 -0.46 -0.10 0.00 -1.54 0.00 0.00 39.78 38.45 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2dm8 s SER 79 N -3.45 2.66 0.36 6.41 0.01 -0.26 -5.03 113.70 114.39 2dm8 s SER 79 Ca 0.40 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 56.42 2dm8 s SER 79 Cb 0.41 -0.15 -0.09 0.00 0.21 0.00 0.00 66.02 66.40 2dm8 s SER 79 CO -0.07 -0.22 0.79 -0.55 0.41 0.00 0.00 173.24 173.60 2dm8 s SER 80 N -3.36 6.78 0.31 2.44 0.15 -1.26 -2.45 113.70 116.31 2dm8 s SER 80 Ca 0.25 1.36 0.04 0.00 0.70 0.00 0.00 55.95 58.31 2dm8 s SER 80 Cb 0.01 -2.41 0.83 0.00 -1.71 0.00 0.00 66.02 62.74 2dm8 s SER 80 CO 0.09 -0.27 1.58 -0.74 1.20 0.00 0.00 173.24 175.10 2dm8 h HIS 81 N 2.03 0.14 0.12 3.44 2.76 -1.84 0.24 115.15 122.05 2dm8 h HIS 81 Ca -0.48 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 57.75 2dm8 h HIS 81 Cb 1.18 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.24 2dm8 h HIS 81 CO 0.62 -0.40 -0.06 0.93 -1.30 0.00 0.00 177.93 177.72 2dm8 h GLU 82 N 0.04 -0.15 -0.96 5.26 4.39 -1.92 -2.96 114.58 118.28 2dm8 h GLU 82 Ca 0.63 0.01 0.26 0.00 0.34 0.00 0.00 59.36 60.59 2dm8 h GLU 82 Cb 1.36 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 29.91 2dm8 h GLU 82 CO -0.86 0.12 0.49 0.93 -1.16 0.00 0.00 179.01 178.53 2dm8 h GLU 83 N -0.42 0.41 -0.70 2.33 3.07 -0.94 0.46 114.58 118.80 2dm8 h GLU 83 Ca -0.02 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2dm8 h GLU 83 Cb 0.34 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2dm8 h GLU 83 CO 0.03 0.27 0.29 0.00 -1.40 0.00 0.00 179.01 178.19 2dm8 h ALA 84 N 1.76 1.19 -0.10 3.43 0.00 -1.13 0.48 119.26 124.89 2dm8 h ALA 84 Ca 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dm8 h ALA 84 Cb 1.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2dm8 h ALA 84 CO -0.54 0.59 -0.03 0.82 0.00 0.00 0.00 179.25 180.09 2dm8 h ILE 85 N 1.01 1.30 -0.42 0.00 1.08 0.03 -3.06 117.51 117.44 2dm8 h ILE 85 Ca 0.24 -0.97 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2dm8 h ILE 85 Cb 0.18 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2dm8 h ILE 85 CO -0.02 0.27 -0.03 0.74 -0.69 0.00 0.00 178.15 178.42 2dm8 h THR 86 N -0.15 1.23 0.00 -0.27 2.02 -1.05 -1.94 112.91 112.76 2dm8 h THR 86 Ca 0.02 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2dm8 h THR 86 Cb 0.44 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2dm8 h THR 86 CO 0.01 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.24 2dm8 h ALA 87 N 1.33 1.00 0.00 6.16 0.00 -0.85 0.08 119.26 126.98 2dm8 h ALA 87 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2dm8 h ALA 87 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dm8 h ALA 87 CO 0.02 0.00 -1.58 1.28 0.00 0.00 0.00 179.25 178.97 2dm8 n LEU 88 N -2.52 0.56 0.09 0.00 4.77 -0.75 -4.08 117.00 115.07 2dm8 n LEU 88 Ca -0.01 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2dm8 n LEU 88 Cb 0.11 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2dm8 n LEU 88 CO 0.16 0.09 -0.00 0.54 -1.33 0.00 0.00 177.39 176.84 2dm8 n ARG 89 N -2.69 0.56 -0.30 3.23 1.74 -0.42 -3.79 116.66 114.99 2dm8 n ARG 89 Ca -0.09 0.09 0.07 0.00 -0.77 0.00 0.00 57.85 57.14 2dm8 n ARG 89 Cb 0.76 -1.78 0.21 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.56 2.35 -3.15 5.56 6.02 -0.12 -4.91 117.38 120.57 2dm8 n GLN 90 Ca 0.00 -1.69 -0.38 0.00 -0.01 0.00 0.00 57.00 54.92 2dm8 n GLN 90 Cb 0.53 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.55 4.59 0.00 5.09 -4.23 -1.25 -5.06 115.64 113.24 2dm8 s THR 91 Ca 0.31 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 2dm8 s THR 91 Cb 0.18 -3.95 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2dm8 s THR 91 CO 0.18 0.44 0.00 -0.81 -0.54 0.00 0.00 174.62 173.89 2dm8 n PRO 92 N 1.38 0.06 -0.21 3.99 -0.04 -1.26 -4.90 135.00 134.02 2dm8 n PRO 92 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2dm8 n PRO 92 Cb 0.50 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.21 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 0.98 -4.21 0.54 4.15 -1.96 -3.36 115.11 111.25 2dm8 h GLN 93 Ca 0.00 -0.06 -0.75 0.00 0.77 0.00 0.00 58.65 58.61 2dm8 h GLN 93 Cb 0.00 -0.22 -0.23 0.00 0.21 0.00 0.00 27.48 27.24 2dm8 h GLN 93 CO 0.00 0.66 -0.24 0.15 -1.93 0.00 0.00 178.83 177.46 2dm8 s LYS 94 N -5.83 2.99 -0.10 1.69 1.02 -1.26 -0.74 119.74 117.51 2dm8 s LYS 94 Ca -0.11 -1.55 -0.20 0.00 0.02 0.00 0.00 55.97 54.14 2dm8 s LYS 94 Cb 0.18 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 2dm8 s LYS 94 CO 0.78 -1.22 0.54 0.08 -0.92 0.00 0.00 175.35 174.61 2dm8 s VAL 95 N 1.67 5.14 -0.01 3.17 1.01 0.10 -4.95 120.40 126.53 2dm8 s VAL 95 Ca 0.04 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2dm8 s VAL 95 Cb -0.27 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.22 2dm8 s VAL 95 CO 0.05 0.31 -0.07 -0.60 0.00 0.00 0.00 175.10 174.78 2dm8 s ARG 96 N 0.63 0.64 0.05 2.72 3.00 -1.26 -0.34 118.95 124.39 2dm8 s ARG 96 Ca 0.29 -0.25 -0.07 0.00 -1.00 0.00 0.00 55.73 54.70 2dm8 s ARG 96 Cb -0.16 -0.62 -0.01 0.00 0.00 0.00 0.00 34.95 34.16 2dm8 s ARG 96 CO 0.13 0.14 0.14 -0.51 0.00 0.00 0.00 175.30 175.19 2dm8 s LEU 97 N -0.05 1.62 -0.39 -0.88 1.02 -0.90 -0.20 118.68 118.89 2dm8 s LEU 97 Ca 0.01 -0.53 -0.12 0.00 0.02 0.00 0.00 54.13 53.51 2dm8 s LEU 97 Cb -0.04 0.79 0.03 0.00 0.02 0.00 0.00 46.19 46.99 2dm8 s LEU 97 CO -0.00 -0.58 0.25 -0.69 0.02 0.00 0.00 176.35 175.35 2dm8 s VAL 98 N -2.93 4.77 0.14 -1.59 1.01 -0.56 -0.74 120.40 120.50 2dm8 s VAL 98 Ca -0.02 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2dm8 s VAL 98 Cb 0.01 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2dm8 s VAL 98 CO -0.06 -0.30 0.16 0.68 0.00 0.00 0.00 175.10 175.58 2dm8 s VAL 99 N 1.58 4.75 -0.06 2.92 -7.23 0.18 -1.43 120.40 121.11 2dm8 s VAL 99 Ca 0.03 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 2dm8 s VAL 99 Cb -0.20 -3.39 0.03 0.00 0.56 0.00 0.00 36.38 33.38 2dm8 s VAL 99 CO 0.07 -0.04 0.03 -0.47 -0.31 0.00 0.00 175.10 174.38 2dm8 s TYR 100 N -1.65 0.41 -0.59 2.82 5.04 -0.88 -0.17 117.35 122.33 2dm8 s TYR 100 Ca 0.32 -0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.97 2dm8 s TYR 100 Cb -0.11 -0.67 0.16 0.00 0.35 0.00 0.00 41.96 41.69 2dm8 s TYR 100 CO 0.25 -0.28 0.40 0.50 -1.34 0.00 0.00 175.55 175.07 2dm8 s ARG 101 N 2.06 1.95 0.27 4.97 3.52 -1.26 -3.86 118.95 126.59 2dm8 s ARG 101 Ca 0.05 -2.84 -0.29 0.00 -0.13 0.00 0.00 55.73 52.52 2dm8 s ARG 101 Cb -0.12 -2.90 -0.14 0.00 -1.56 0.00 0.00 34.95 30.23 2dm8 s ARG 101 CO -0.05 -1.26 1.04 -0.40 -0.81 0.00 0.00 175.30 173.82 2dm8 n ASP 102 N 2.50 1.34 -2.00 -2.12 5.75 -1.26 -1.96 116.55 118.79 2dm8 n ASP 102 Ca 0.18 1.17 -0.17 0.00 -0.01 0.00 0.00 54.79 55.96 2dm8 n ASP 102 Cb 0.37 -1.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 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 0.92 1.89 -2.94 0.11 -0.00 -1.26 -4.57 120.64 114.78 2dm8 n GLU 103 Ca 0.10 -1.59 -0.21 0.00 -0.00 0.00 0.00 57.16 55.46 2dm8 n GLU 103 Cb 0.31 -1.71 0.08 0.00 -0.00 0.00 0.00 31.44 30.12 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 -1.51 4.51 -0.95 -1.84 0.00 -1.26 -4.92 121.76 115.79 2dm8 s ALA 104 Ca 0.37 -2.12 -0.29 0.00 0.00 0.00 0.00 51.96 49.92 2dm8 s ALA 104 Cb 0.26 -1.55 -0.21 0.00 0.00 0.00 0.00 23.12 21.62 2dm8 s ALA 104 CO -0.05 -1.07 2.54 -2.39 0.00 0.00 0.00 175.76 174.79 2dm8 n HIS 105 N -2.42 0.51 0.09 0.00 1.44 -1.26 -4.79 115.22 108.78 2dm8 n HIS 105 Ca 0.17 0.35 -0.04 0.00 -2.01 0.00 0.00 57.72 56.18 2dm8 n HIS 105 Cb 0.62 -2.19 -0.02 0.00 0.12 0.00 0.00 29.99 28.51 2dm8 n HIS 105 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 2dm8 h TYR 106 N 11.33 -0.24 -0.66 -1.40 0.05 -1.92 -3.41 116.97 120.73 2dm8 h TYR 106 Ca -0.04 -0.01 -0.12 0.00 0.05 0.00 0.00 58.73 58.61 2dm8 h TYR 106 Cb 1.23 0.08 0.00 0.00 1.01 0.00 0.00 36.73 39.05 2dm8 h TYR 106 CO 1.04 -0.15 0.43 -2.13 -1.05 0.00 0.00 178.16 176.30 2dm8 n ARG 107 N -3.45 0.68 -1.09 4.88 3.00 -1.26 -4.88 116.66 114.55 2dm8 n ARG 107 Ca -0.03 -0.64 -0.34 0.00 -0.00 0.00 0.00 57.85 56.84 2dm8 n ARG 107 Cb 0.10 -3.63 0.01 0.00 0.00 0.00 0.00 32.46 28.94 2dm8 n ARG 107 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2dm8 n ASP 108 N 18.01 -2.95 -4.95 6.15 2.03 -1.26 -4.95 116.55 128.63 2dm8 n ASP 108 Ca 0.45 0.61 -0.22 0.00 0.52 0.00 0.00 54.79 56.15 2dm8 n ASP 108 Cb 0.46 -0.74 -0.02 0.00 -0.72 0.00 0.00 41.12 40.10 2dm8 n ASP 108 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2dm8 s GLU 109 N -0.86 3.39 0.74 -0.67 4.04 -1.26 -5.12 118.70 118.96 2dm8 s GLU 109 Ca 0.50 -0.77 -0.05 0.00 0.04 0.00 0.00 54.97 54.68 2dm8 s GLU 109 Cb -0.46 -2.87 0.10 0.00 0.02 0.00 0.00 34.13 30.92 2dm8 s GLU 109 CO 0.56 0.44 1.03 -1.21 -1.84 0.00 0.00 175.26 174.24 2dm8 s GLU 110 N -3.90 1.80 0.31 -4.83 2.02 -1.26 -5.01 118.70 107.84 2dm8 s GLU 110 Ca 0.34 -0.62 -0.27 0.00 0.02 0.00 0.00 54.97 54.44 2dm8 s GLU 110 Cb -0.09 -2.20 -0.14 0.00 0.10 0.00 0.00 34.13 31.80 2dm8 s GLU 110 CO 0.29 -1.44 0.98 0.43 0.02 0.00 0.00 175.26 175.53 2dm8 n SER 111 N -2.97 1.14 0.00 -0.19 7.64 -1.26 -4.69 113.62 113.30 2dm8 n SER 111 Ca 0.11 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.14 2dm8 n SER 111 Cb 0.60 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2dm8 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 112 N 1.25 -1.55 3.76 0.23 0.00 -1.26 -5.15 105.19 102.47 2dm8 n GLY 112 Ca 0.10 0.63 -0.31 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 2.02 -0.41 1.61 0.04 -1.26 -4.88 135.00 132.11 2dm8 s PRO 113 Ca 0.00 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.86 2dm8 s PRO 113 Cb 0.00 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 2dm8 s PRO 113 CO 0.00 -1.79 2.36 0.43 0.04 0.00 0.00 177.00 178.04 2dm8 n SER 114 N -3.61 2.59 -4.74 6.66 7.64 -1.26 -4.94 113.62 115.97 2dm8 n SER 114 Ca 0.09 -0.28 -0.35 0.00 1.01 0.00 0.00 58.87 59.33 2dm8 n SER 114 Cb 0.54 -1.57 -0.08 0.00 -1.01 0.00 0.00 64.21 62.08 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm8 s SER 115 N 10.98 5.96 0.00 6.43 1.04 -1.26 -5.28 113.70 131.58 2dm8 s SER 115 Ca 0.99 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2dm8 s SER 115 Cb -0.24 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2dm8 s SER 115 CO 0.29 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.39