#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 6.49 -0.23 1.61 0.01 -1.26 -4.99 113.70 115.33 2dm8 s SER 2 Ca 0.00 0.58 -0.14 0.00 1.31 0.00 0.00 55.95 57.70 2dm8 s SER 2 Cb 0.00 -2.18 -0.17 0.00 0.21 0.00 0.00 66.02 63.88 2dm8 s SER 2 CO 0.00 0.16 -0.04 -1.20 0.41 0.00 0.00 173.24 172.57 2dm8 n SER 3 N 3.15 1.95 -3.06 2.44 7.64 -1.26 -5.01 113.62 119.46 2dm8 n SER 3 Ca -0.13 0.30 -0.07 0.00 1.01 0.00 0.00 58.87 59.98 2dm8 n SER 3 Cb 0.52 -0.83 0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.53 1.76 0.14 0.23 0.00 -1.26 -5.07 105.19 102.51 2dm8 n GLY 4 Ca -0.43 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.19 2dm8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm8 n SER 5 N -2.79 1.96 -4.20 1.61 2.88 -1.26 -4.89 113.62 106.94 2dm8 n SER 5 Ca 0.06 0.22 -0.36 0.00 -1.33 0.00 0.00 58.87 57.46 2dm8 n SER 5 Cb 0.22 -0.72 -0.13 0.00 -0.75 0.00 0.00 64.21 62.83 2dm8 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm8 s SER 6 N -7.26 5.03 0.68 -3.46 0.01 -1.26 -5.05 113.70 102.40 2dm8 s SER 6 Ca -0.38 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.62 2dm8 s SER 6 Cb 0.13 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2dm8 s SER 6 CO 0.52 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dm8 n GLY 7 N 4.68 0.85 0.09 3.44 0.00 -1.26 -3.94 105.19 109.04 2dm8 n GLY 7 Ca -0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2dm8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 h PRO 8 N 0.00 -0.09 -4.97 1.61 0.13 -1.93 -3.41 132.00 123.34 2dm8 h PRO 8 Ca 0.00 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 2dm8 h PRO 8 Cb 0.00 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.01 2dm8 h PRO 8 CO 0.00 0.37 -0.66 0.00 -0.23 0.00 0.00 178.00 177.48 2dm8 s ALA 9 N -4.26 1.62 -0.13 -0.56 0.00 -1.25 -4.72 121.76 112.46 2dm8 s ALA 9 Ca -0.15 -1.70 0.09 0.00 0.00 0.00 0.00 51.96 50.20 2dm8 s ALA 9 Cb 0.02 0.53 -0.15 0.00 0.00 0.00 0.00 23.12 23.52 2dm8 s ALA 9 CO 0.63 -0.28 0.01 -2.37 0.00 0.00 0.00 175.76 173.74 2dm8 n THR 10 N -0.35 0.88 -4.06 0.00 5.66 -1.26 -4.88 114.28 110.27 2dm8 n THR 10 Ca -0.05 -0.50 -0.22 0.00 -3.05 0.00 0.00 64.05 60.22 2dm8 n THR 10 Cb 0.64 -0.74 -0.05 0.00 -1.55 0.00 0.00 70.33 68.62 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dm8 s PRO 12 N -3.86 2.60 -0.35 0.00 0.04 -1.26 -4.79 135.00 127.38 2dm8 s PRO 12 Ca 0.35 1.31 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 2dm8 s PRO 12 Cb -0.06 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 2dm8 s PRO 12 CO 0.24 -1.40 1.39 -0.89 0.04 0.00 0.00 177.00 176.38 2dm8 n ILE 13 N -2.82 0.00 -3.17 0.56 5.41 -1.26 -4.84 119.36 113.25 2dm8 n ILE 13 Ca 0.10 0.00 -0.40 0.00 1.00 0.00 0.00 62.75 63.45 2dm8 n ILE 13 Cb 0.52 -0.31 -0.07 0.00 -0.71 0.00 0.00 39.64 39.07 2dm8 n ILE 13 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dm8 s VAL 14 N 3.99 5.04 0.74 1.39 1.01 -1.26 -5.02 120.40 126.29 2dm8 s VAL 14 Ca 0.77 1.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.68 2dm8 s VAL 14 Cb -0.92 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 31.60 2dm8 s VAL 14 CO 0.40 0.09 1.10 -2.16 0.00 0.00 0.00 175.10 174.53 2dm8 s PRO 15 N 2.11 2.41 0.00 2.72 0.04 -1.26 -3.63 135.00 137.40 2dm8 s PRO 15 Ca 0.25 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2dm8 s PRO 15 Cb -0.16 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2dm8 s PRO 15 CO 0.09 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.01 2dm8 n GLY 16 N -0.99 2.02 3.18 0.56 0.00 -1.06 -4.88 105.19 104.02 2dm8 n GLY 16 Ca 0.09 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 1.10 0.77 1.61 -2.07 -1.24 -4.95 119.66 114.88 2dm8 s GLN 17 Ca 0.00 -0.81 -0.12 0.00 -1.82 0.00 0.00 55.36 52.60 2dm8 s GLN 17 Cb 0.00 -1.14 0.06 0.00 -1.09 0.00 0.00 33.01 30.84 2dm8 s GLN 17 CO 0.00 0.29 1.13 -1.21 -1.32 0.00 0.00 175.29 174.18 2dm8 s GLU 18 N -1.13 2.10 0.21 9.60 2.02 -1.26 -4.65 118.70 125.59 2dm8 s GLU 18 Ca 0.04 1.43 -0.13 0.00 0.02 0.00 0.00 54.97 56.32 2dm8 s GLU 18 Cb -0.08 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.29 2dm8 s GLU 18 CO 0.01 -1.80 0.44 0.00 0.02 0.00 0.00 175.26 173.93 2dm8 s MET 19 N -4.44 1.38 0.09 1.61 0.23 -0.97 -4.97 119.30 112.23 2dm8 s MET 19 Ca 0.67 -1.09 0.06 0.00 -1.03 0.00 0.00 55.69 54.29 2dm8 s MET 19 Cb -0.22 0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2dm8 s MET 19 CO 0.51 -0.56 -0.08 0.42 -2.03 0.00 0.00 175.02 173.27 2dm8 s ILE 20 N -3.95 3.51 -0.04 3.16 1.09 -1.26 -1.98 121.20 121.72 2dm8 s ILE 20 Ca 0.16 -1.15 -0.01 0.00 -1.10 0.00 0.00 60.65 58.55 2dm8 s ILE 20 Cb 0.00 -2.63 0.03 0.00 -1.06 0.00 0.00 42.46 38.81 2dm8 s ILE 20 CO 0.02 0.15 0.08 0.27 -0.10 0.00 0.00 174.94 175.37 2dm8 s ILE 21 N -1.20 -0.07 -0.06 2.92 -4.36 0.14 -4.37 121.20 114.20 2dm8 s ILE 21 Ca 0.21 0.22 0.04 0.00 -0.26 0.00 0.00 60.65 60.86 2dm8 s ILE 21 Cb -0.11 -0.15 -0.02 0.00 1.25 0.00 0.00 42.46 43.43 2dm8 s ILE 21 CO 0.14 0.09 -0.17 -0.70 0.24 0.00 0.00 174.94 174.53 2dm8 s GLU 22 N 1.21 2.65 0.00 0.37 2.12 -1.26 -0.12 118.70 123.67 2dm8 s GLU 22 Ca -0.08 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.54 2dm8 s GLU 22 Cb -0.12 -2.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 2dm8 s GLU 22 CO -0.04 0.49 -0.15 0.42 -0.54 0.00 0.00 175.26 175.43 2dm8 s ILE 23 N -0.39 1.20 -0.34 -3.70 1.01 -0.87 -4.96 121.20 113.15 2dm8 s ILE 23 Ca 0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 60.65 59.74 2dm8 s ILE 23 Cb -0.12 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.32 2dm8 s ILE 23 CO 0.02 0.26 0.56 -0.55 0.00 0.00 0.00 174.94 175.23 2dm8 s SER 24 N -0.57 6.37 -0.13 3.58 0.15 -1.26 -1.23 113.70 120.61 2dm8 s SER 24 Ca 0.05 0.10 -0.31 0.00 0.70 0.00 0.00 55.95 56.49 2dm8 s SER 24 Cb -0.06 -2.29 -0.08 0.00 -1.71 0.00 0.00 66.02 61.87 2dm8 s SER 24 CO -0.00 -0.50 2.08 0.29 1.20 0.00 0.00 173.24 176.30 2dm8 n LYS 25 N 5.84 2.16 0.00 5.44 5.02 0.57 -4.96 118.16 132.22 2dm8 n LYS 25 Ca -0.03 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2dm8 n LYS 25 Cb 0.49 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.55 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 5.23 -1.72 0.32 0.72 0.00 -1.26 -4.80 105.19 103.68 2dm8 n GLY 26 Ca 0.27 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 -5.42 1.61 9.65 -2.03 -3.42 114.38 114.77 2dm8 h ARG 27 Ca 0.00 0.00 -0.41 0.00 -1.10 0.00 0.00 59.98 58.47 2dm8 h ARG 27 Cb 0.00 0.00 -0.17 0.00 -1.39 0.00 0.00 29.97 28.41 2dm8 h ARG 27 CO 0.00 0.00 -0.75 -1.12 2.80 0.00 0.00 179.97 180.90 2dm8 s SER 28 N -6.18 2.11 1.19 -3.80 0.01 -1.26 -5.14 113.70 100.63 2dm8 s SER 28 Ca -0.05 -0.88 -0.16 0.00 1.31 0.00 0.00 55.95 56.17 2dm8 s SER 28 Cb 0.16 -0.08 0.23 0.00 0.21 0.00 0.00 66.02 66.55 2dm8 s SER 28 CO 0.60 -0.17 0.57 0.61 0.41 0.00 0.00 173.24 175.26 2dm8 n GLY 29 N 0.24 -2.49 3.56 3.44 0.00 -1.26 -4.53 105.19 104.16 2dm8 n GLY 29 Ca -0.13 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.66 2.09 -3.12 0.99 4.77 -1.26 -4.12 117.00 112.69 2dm8 n LEU 30 Ca 0.03 0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 56.24 2dm8 n LEU 30 Cb 0.57 -1.36 -0.04 0.00 -2.33 0.00 0.00 43.42 40.26 2dm8 n LEU 30 CO 0.52 -2.66 -0.06 0.61 -1.33 0.00 0.00 177.39 174.46 2dm8 n GLY 31 N 0.95 4.40 3.41 -0.72 0.00 -1.26 -4.79 105.19 107.18 2dm8 n GLY 31 Ca 0.10 -2.20 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.69 1.86 0.07 0.99 0.05 -1.26 0.21 118.68 117.91 2dm8 s LEU 32 Ca 0.43 -1.55 0.00 0.00 0.05 0.00 0.00 54.13 53.06 2dm8 s LEU 32 Cb 0.28 -0.01 -0.04 0.00 -2.05 0.00 0.00 46.19 44.37 2dm8 s LEU 32 CO -0.10 -0.84 -0.05 -0.55 -0.55 0.00 0.00 176.35 174.26 2dm8 s SER 33 N -3.46 0.81 0.37 1.48 0.15 0.16 -4.91 113.70 108.30 2dm8 s SER 33 Ca 0.32 -0.96 0.04 0.00 0.70 0.00 0.00 55.95 56.05 2dm8 s SER 33 Cb 0.05 0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 2dm8 s SER 33 CO 0.16 -0.50 0.12 0.27 1.20 0.00 0.00 173.24 174.48 2dm8 s ILE 34 N -3.55 0.68 -0.23 6.45 -4.36 -1.26 -0.93 121.20 117.99 2dm8 s ILE 34 Ca 0.08 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.20 2dm8 s ILE 34 Cb 0.05 -2.47 0.07 0.00 1.25 0.00 0.00 42.46 41.37 2dm8 s ILE 34 CO -0.07 0.00 0.74 0.68 0.24 0.00 0.00 174.94 176.53 2dm8 s VAL 35 N -3.29 0.00 0.00 8.37 -7.23 -0.10 -4.54 120.40 113.60 2dm8 s VAL 35 Ca 0.28 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 2dm8 s VAL 35 Cb 0.04 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2dm8 s VAL 35 CO 0.15 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2dm8 n GLY 36 N 2.32 -0.60 0.00 2.32 0.00 -1.26 -2.04 105.19 105.93 2dm8 n GLY 36 Ca -0.15 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 0.18 3.90 -0.02 0.00 -0.77 -3.42 105.19 105.06 2dm8 n GLY 37 Ca 0.00 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 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 3.58 -0.89 1.61 1.02 -1.21 -3.92 119.74 119.93 2dm8 s LYS 38 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.34 2dm8 s LYS 38 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2dm8 s LYS 38 CO 0.00 -0.28 0.00 -0.25 -0.92 0.00 0.00 175.35 173.90 2dm8 n ASP 39 N -2.30 -3.12 -4.37 2.83 9.92 -1.26 -4.59 116.55 113.67 2dm8 n ASP 39 Ca 0.02 0.25 -0.20 0.00 -0.53 0.00 0.00 54.79 54.33 2dm8 n ASP 39 Cb 0.55 -2.76 -0.10 0.00 -0.64 0.00 0.00 41.12 38.17 2dm8 n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dm8 s THR 40 N -2.32 1.92 -2.00 -3.53 -4.23 -1.25 -5.01 115.64 99.21 2dm8 s THR 40 Ca 0.00 -2.19 0.11 0.00 -1.18 0.00 0.00 61.69 58.43 2dm8 s THR 40 Cb 0.00 -2.06 0.33 0.00 1.34 0.00 0.00 72.50 72.11 2dm8 s THR 40 CO 0.00 -0.49 1.12 -0.81 -0.54 0.00 0.00 174.62 173.89 2dm8 n PRO 41 N -0.29 0.49 -3.75 3.99 -0.04 -1.26 -4.58 135.00 129.56 2dm8 n PRO 41 Ca -0.08 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.23 2dm8 n PRO 41 Cb 0.60 -1.37 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.73 0.73 -0.21 1.53 2.34 -1.26 -5.02 118.68 115.06 2dm8 s LEU 42 Ca 0.17 0.25 0.12 0.00 0.06 0.00 0.00 54.13 54.73 2dm8 s LEU 42 Cb 0.08 0.26 0.70 0.00 -0.56 0.00 0.00 46.19 46.67 2dm8 s LEU 42 CO 0.13 -0.15 1.57 0.59 -1.06 0.00 0.00 176.35 177.43 2dm8 n ASN 43 N 4.29 5.02 -3.91 1.48 5.03 -1.26 -1.84 115.26 124.06 2dm8 n ASN 43 Ca -0.25 -2.81 -0.26 0.00 0.87 0.00 0.00 54.58 52.13 2dm8 n ASN 43 Cb 0.51 -0.66 -0.17 0.00 -1.02 0.00 0.00 39.78 38.44 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dm8 s ALA 44 N -2.51 1.23 0.10 5.41 0.00 -1.26 -4.81 121.76 119.91 2dm8 s ALA 44 Ca 0.47 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 2dm8 s ALA 44 Cb 0.36 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 2dm8 s ALA 44 CO 0.13 -0.31 1.54 0.42 0.00 0.00 0.00 175.76 177.55 2dm8 s ILE 45 N 1.51 3.07 0.04 0.00 -1.09 -1.26 -4.60 121.20 118.86 2dm8 s ILE 45 Ca 0.01 0.65 0.06 0.00 -2.23 0.00 0.00 60.65 59.14 2dm8 s ILE 45 Cb -0.13 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2dm8 s ILE 45 CO -0.05 0.02 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.82 2dm8 s VAL 46 N 1.88 1.38 -0.53 2.92 1.01 -0.86 -1.78 120.40 124.42 2dm8 s VAL 46 Ca 0.69 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2dm8 s VAL 46 Cb -0.39 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 34.79 2dm8 s VAL 46 CO 0.31 0.13 1.33 -0.63 0.00 0.00 0.00 175.10 176.23 2dm8 s ILE 47 N -0.78 3.91 0.04 2.22 1.01 -1.04 -0.93 121.20 125.64 2dm8 s ILE 47 Ca 0.05 0.84 -0.29 0.00 0.00 0.00 0.00 60.65 61.25 2dm8 s ILE 47 Cb -0.08 -4.49 -0.16 0.00 0.01 0.00 0.00 42.46 37.74 2dm8 s ILE 47 CO 0.01 -1.12 1.34 -0.74 0.00 0.00 0.00 174.94 174.44 2dm8 h HIS 48 N 10.40 -0.98 -3.17 3.97 -0.00 -1.27 -2.91 115.15 121.18 2dm8 h HIS 48 Ca -0.26 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 59.99 2dm8 h HIS 48 Cb 1.08 0.32 -0.18 0.00 -0.00 0.00 0.00 27.41 28.64 2dm8 h HIS 48 CO 1.02 -0.61 -0.24 -2.00 -0.00 0.00 0.00 177.93 176.10 2dm8 s GLU 49 N -5.16 0.77 -0.43 5.26 2.12 -1.24 -4.76 118.70 115.27 2dm8 s GLU 49 Ca -0.15 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 54.83 2dm8 s GLU 49 Cb 0.02 0.34 0.12 0.00 0.26 0.00 0.00 34.13 34.86 2dm8 s GLU 49 CO 0.46 -0.24 0.16 0.08 -0.54 0.00 0.00 175.26 175.19 2dm8 s VAL 50 N -2.12 2.26 -0.75 3.70 1.01 -1.26 0.38 120.40 123.63 2dm8 s VAL 50 Ca -0.08 -2.75 -0.31 0.00 0.00 0.00 0.00 61.98 58.84 2dm8 s VAL 50 Cb -0.02 -2.62 -0.16 0.00 0.00 0.00 0.00 36.38 33.58 2dm8 s VAL 50 CO -0.01 -0.72 2.53 -1.22 0.00 0.00 0.00 175.10 175.68 2dm8 n TYR 51 N 3.71 0.97 -0.39 5.22 4.01 0.56 -4.70 117.16 126.53 2dm8 n TYR 51 Ca 0.04 0.31 0.38 0.00 -0.16 0.00 0.00 57.90 58.47 2dm8 n TYR 51 Cb 0.37 -2.47 0.61 0.00 -0.31 0.00 0.00 39.34 37.53 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 14.20 0.00 -1.59 -0.72 5.08 -1.97 0.58 114.58 130.16 2dm8 h GLU 52 Ca -0.13 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 2dm8 h GLU 52 Cb 1.31 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.42 2dm8 h GLU 52 CO 1.26 0.00 0.40 0.39 -1.00 0.00 0.00 179.01 180.06 2dm8 n GLU 53 N -3.55 1.87 -4.15 2.33 1.02 -1.26 -4.48 120.64 112.41 2dm8 n GLU 53 Ca 0.31 -1.63 -0.11 0.00 -0.02 0.00 0.00 57.16 55.71 2dm8 n GLU 53 Cb 1.68 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.24 0.72 0.25 0.62 0.00 0.20 -4.82 107.32 104.54 2dm8 s GLY 54 Ca 0.34 -1.28 -0.03 0.00 0.00 0.00 0.00 44.72 43.75 2dm8 s GLY 54 CO -0.03 -1.38 1.82 0.00 0.00 0.00 0.00 173.10 173.52 2dm8 h ALA 55 N 3.15 1.25 -0.12 3.20 0.00 -1.80 -1.48 119.26 123.45 2dm8 h ALA 55 Ca -0.35 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2dm8 h ALA 55 Cb 1.17 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2dm8 h ALA 55 CO 0.62 0.16 -0.19 0.00 0.00 0.00 0.00 179.25 179.85 2dm8 h ALA 56 N 1.46 -0.13 -0.25 0.00 0.00 -1.90 -2.55 119.26 115.89 2dm8 h ALA 56 Ca 0.41 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dm8 h ALA 56 Cb 0.35 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2dm8 h ALA 56 CO -0.24 -0.64 0.15 0.00 0.00 0.00 0.00 179.25 178.52 2dm8 h ALA 57 N 0.77 0.32 -0.96 0.00 0.00 -1.67 -3.08 119.26 114.64 2dm8 h ALA 57 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 2dm8 h ALA 57 Cb 0.38 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 2dm8 h ALA 57 CO -0.26 -0.17 -0.48 0.54 0.00 0.00 0.00 179.25 178.87 2dm8 n ARG 58 N -4.87 -0.33 -0.18 0.00 5.12 -0.61 0.37 116.66 116.16 2dm8 n ARG 58 Ca -0.03 1.46 -0.01 0.00 -1.93 0.00 0.00 57.85 57.34 2dm8 n ARG 58 Cb 0.06 -2.15 0.08 0.00 -1.16 0.00 0.00 32.46 29.29 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 -0.12 0.55 3.58 -1.43 -3.46 116.42 115.61 2dm8 h ASP 59 Ca 0.23 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 2dm8 h ASP 59 Cb 0.47 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2dm8 h ASP 59 CO -0.92 0.06 -0.01 0.61 -2.88 0.00 0.00 179.24 176.09 2dm8 n GLY 60 N -1.29 0.37 0.05 -0.78 0.00 0.16 -4.95 105.19 98.75 2dm8 n GLY 60 Ca 0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.03 1.13 -3.69 1.61 5.12 -1.26 -4.90 116.66 113.63 2dm8 n ARG 61 Ca -0.01 -0.06 -0.38 0.00 -1.93 0.00 0.00 57.85 55.47 2dm8 n ARG 61 Cb 0.50 -1.38 -0.12 0.00 -1.16 0.00 0.00 32.46 30.30 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 -4.71 3.96 -0.11 0.55 1.43 -1.26 -4.88 118.68 113.66 2dm8 s LEU 62 Ca -0.07 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2dm8 s LEU 62 Cb 0.07 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2dm8 s LEU 62 CO 0.64 -0.17 -0.02 0.26 0.23 0.00 0.00 176.35 177.29 2dm8 s TRP 63 N 1.58 3.09 -0.34 0.29 0.51 -1.26 -4.84 118.94 117.98 2dm8 s TRP 63 Ca 0.04 0.04 -0.36 0.00 -2.12 0.00 0.00 56.10 53.70 2dm8 s TRP 63 Cb -0.17 -1.83 -0.12 0.00 -0.81 0.00 0.00 33.47 30.54 2dm8 s TRP 63 CO 0.05 0.30 2.12 0.00 -0.51 0.00 0.00 176.95 178.91 2dm8 n ALA 64 N 2.58 0.88 0.00 0.98 0.00 -1.26 -2.91 120.51 120.77 2dm8 n ALA 64 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2dm8 n ALA 64 Cb 0.53 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.50 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 6.24 1.30 3.97 0.00 0.00 -1.10 -5.03 105.19 110.57 2dm8 n GLY 65 Ca 0.39 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.30 5.66 -0.25 1.61 -1.08 -1.15 -4.91 116.67 115.26 2dm8 s ASP 66 Ca 0.00 -0.38 0.02 0.00 -0.52 0.00 0.00 52.55 51.67 2dm8 s ASP 66 Cb 0.00 -0.88 0.06 0.00 -1.46 0.00 0.00 42.92 40.64 2dm8 s ASP 66 CO 0.00 -0.59 -0.09 -1.10 0.52 0.00 0.00 175.17 173.91 2dm8 s GLN 67 N -4.23 2.02 0.29 4.34 -0.21 -1.26 -2.50 119.66 118.11 2dm8 s GLN 67 Ca 0.49 -1.20 -0.18 0.00 0.02 0.00 0.00 55.36 54.50 2dm8 s GLN 67 Cb -0.09 -2.77 -0.09 0.00 1.00 0.00 0.00 33.01 31.07 2dm8 s GLN 67 CO 0.31 -0.57 0.76 0.42 -2.12 0.00 0.00 175.29 174.09 2dm8 s ILE 68 N 1.22 4.59 -0.01 1.08 1.09 -0.73 -2.33 121.20 126.11 2dm8 s ILE 68 Ca -0.08 1.16 0.01 0.00 -1.10 0.00 0.00 60.65 60.64 2dm8 s ILE 68 Cb -0.19 -3.72 -0.01 0.00 -1.06 0.00 0.00 42.46 37.47 2dm8 s ILE 68 CO -0.06 -0.03 0.01 0.18 -0.10 0.00 0.00 174.94 174.94 2dm8 n LEU 69 N 0.06 0.00 -3.62 2.97 4.77 -0.57 -4.20 117.00 116.41 2dm8 n LEU 69 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2dm8 n LEU 69 Cb 0.52 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2dm8 n LEU 69 CO 0.42 0.02 0.18 -0.70 -1.33 0.00 0.00 177.39 175.97 2dm8 s GLU 70 N -2.04 1.06 -0.16 3.23 2.12 -1.25 -2.45 118.70 119.21 2dm8 s GLU 70 Ca -0.00 -0.64 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 2dm8 s GLU 70 Cb 0.00 0.47 0.07 0.00 0.26 0.00 0.00 34.13 34.93 2dm8 s GLU 70 CO 0.04 -0.41 0.36 0.54 -0.54 0.00 0.00 175.26 175.25 2dm8 s VAL 71 N -3.60 -0.25 -1.03 3.70 0.11 -0.99 -2.30 120.40 116.03 2dm8 s VAL 71 Ca 0.02 0.15 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 2dm8 s VAL 71 Cb 0.01 -0.56 0.06 0.00 -1.53 0.00 0.00 36.38 34.37 2dm8 s VAL 71 CO -0.11 0.06 0.31 -3.20 -3.33 0.00 0.00 175.10 168.84 2dm8 n ASN 72 N 4.72 -2.93 -0.40 3.54 2.85 0.60 0.81 115.26 124.45 2dm8 n ASN 72 Ca -0.17 -0.19 -0.03 0.00 -0.11 0.00 0.00 54.58 54.08 2dm8 n ASN 72 Cb 0.52 -2.49 -0.00 0.00 1.24 0.00 0.00 39.78 39.06 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 -0.95 0.29 2.88 8.20 0.00 -1.26 -5.03 105.19 109.32 2dm8 n GLY 73 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.23 1.54 -0.12 1.61 1.01 0.24 -5.09 120.40 117.35 2dm8 s VAL 74 Ca 0.01 -1.76 -0.36 0.00 0.00 0.00 0.00 61.98 59.87 2dm8 s VAL 74 Cb -0.00 -2.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.15 2dm8 s VAL 74 CO 0.01 -0.57 1.84 -0.67 0.00 0.00 0.00 175.10 175.71 2dm8 n ASP 75 N 4.58 3.19 -0.00 3.32 2.03 -1.26 -2.35 116.55 126.05 2dm8 n ASP 75 Ca -0.01 1.00 0.07 0.00 0.52 0.00 0.00 54.79 56.37 2dm8 n ASP 75 Cb 0.42 -1.32 -0.10 0.00 -0.72 0.00 0.00 41.12 39.40 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 6.22 0.20 -0.47 -2.67 4.77 -1.03 -4.41 117.00 119.61 2dm8 n LEU 76 Ca 0.23 -0.15 0.42 0.00 -0.03 0.00 0.00 56.01 56.48 2dm8 n LEU 76 Cb 0.26 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.11 2dm8 n LEU 76 CO 0.75 0.05 1.38 0.03 -1.33 0.00 0.00 177.39 178.26 2dm8 h ARG 77 N 0.00 0.02 -0.60 3.23 3.08 -1.83 0.19 114.38 118.47 2dm8 h ARG 77 Ca 0.00 -0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2dm8 h ARG 77 Cb 0.57 -0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.20 2dm8 h ARG 77 CO 0.00 0.01 -0.98 0.09 -1.07 0.00 0.00 179.97 178.03 2dm8 n ASN 78 N -4.14 3.19 -4.65 7.04 3.02 -1.26 -4.78 115.26 113.68 2dm8 n ASN 78 Ca 0.33 -2.86 -0.30 0.00 -0.03 0.00 0.00 54.58 51.73 2dm8 n ASN 78 Cb 1.53 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 40.20 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dm8 s SER 79 N -3.70 4.81 0.33 6.41 0.01 0.67 -4.97 113.70 117.25 2dm8 s SER 79 Ca 0.39 -0.26 -0.28 0.00 1.31 0.00 0.00 55.95 57.11 2dm8 s SER 79 Cb 0.36 -1.07 -0.10 0.00 0.21 0.00 0.00 66.02 65.43 2dm8 s SER 79 CO -0.00 0.17 1.18 -0.55 0.41 0.00 0.00 173.24 174.44 2dm8 s SER 80 N -2.32 6.94 0.26 2.44 0.15 -1.26 -3.30 113.70 116.61 2dm8 s SER 80 Ca 0.24 2.41 0.13 0.00 0.70 0.00 0.00 55.95 59.43 2dm8 s SER 80 Cb -0.11 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.48 2dm8 s SER 80 CO 0.17 -0.39 1.15 1.57 1.20 0.00 0.00 173.24 176.94 2dm8 n HIS 81 N 0.79 0.78 -0.03 3.44 -0.00 -1.22 0.15 115.22 119.13 2dm8 n HIS 81 Ca 0.01 0.87 -0.15 0.00 0.46 0.00 0.00 57.72 58.91 2dm8 n HIS 81 Cb 0.44 -1.25 -0.11 0.00 -0.12 0.00 0.00 29.99 28.96 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 0.13 -0.88 1.57 5.08 -1.89 -3.23 114.58 115.36 2dm8 h GLU 82 Ca 0.59 -0.13 0.23 0.00 -1.00 0.00 0.00 59.36 59.05 2dm8 h GLU 82 Cb 1.51 0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.66 2dm8 h GLU 82 CO -0.59 0.86 0.27 0.93 -1.00 0.00 0.00 179.01 179.48 2dm8 h GLU 83 N -0.55 0.23 -0.00 2.33 4.39 0.10 0.92 114.58 122.00 2dm8 h GLU 83 Ca -0.02 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2dm8 h GLU 83 Cb 0.91 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2dm8 h GLU 83 CO 0.03 0.15 -0.20 0.00 -1.16 0.00 0.00 179.01 177.84 2dm8 h ALA 84 N 1.77 1.67 0.27 3.43 0.00 -1.34 -2.28 119.26 122.78 2dm8 h ALA 84 Ca 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2dm8 h ALA 84 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dm8 h ALA 84 CO -0.63 0.25 -0.13 0.82 0.00 0.00 0.00 179.25 179.56 2dm8 h ILE 85 N 0.01 0.69 -0.66 0.00 1.08 0.83 -3.13 117.51 116.33 2dm8 h ILE 85 Ca -0.00 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 2dm8 h ILE 85 Cb 0.35 1.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 2dm8 h ILE 85 CO 0.03 0.14 0.44 0.74 -0.69 0.00 0.00 178.15 178.80 2dm8 h THR 86 N -0.83 0.94 0.00 -0.27 2.02 -1.25 0.15 112.91 113.67 2dm8 h THR 86 Ca -0.04 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2dm8 h THR 86 Cb 0.51 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2dm8 h THR 86 CO 0.06 0.10 0.00 0.00 0.37 0.00 0.00 175.52 176.05 2dm8 h ALA 87 N 1.66 1.00 0.00 6.16 0.00 -1.40 0.14 119.26 126.83 2dm8 h ALA 87 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dm8 h ALA 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dm8 h ALA 87 CO -0.09 0.00 -0.94 1.28 0.00 0.00 0.00 179.25 179.50 2dm8 n LEU 88 N -2.86 0.67 -0.04 0.00 4.77 0.50 -3.99 117.00 116.05 2dm8 n LEU 88 Ca -0.01 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2dm8 n LEU 88 Cb 0.16 -0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 40.99 2dm8 n LEU 88 CO 0.21 -0.05 -0.85 0.54 -1.33 0.00 0.00 177.39 175.91 2dm8 n ARG 89 N -2.21 0.67 -0.20 3.23 1.74 -0.40 -4.13 116.66 115.35 2dm8 n ARG 89 Ca 0.02 -0.01 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2dm8 n ARG 89 Cb 0.47 -1.58 0.13 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.63 1.88 -3.15 5.56 6.02 -0.10 -4.88 117.38 120.08 2dm8 n GLN 90 Ca -0.19 -1.03 -0.38 0.00 -0.01 0.00 0.00 57.00 55.40 2dm8 n GLN 90 Cb 0.91 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.72 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 4.60 0.00 5.09 -4.23 -1.26 -5.05 115.64 113.15 2dm8 s THR 91 Ca 0.19 1.33 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 2dm8 s THR 91 Cb 0.11 -3.94 0.00 0.00 1.34 0.00 0.00 72.50 70.02 2dm8 s THR 91 CO 0.10 0.42 0.00 -0.81 -0.54 0.00 0.00 174.62 173.79 2dm8 n PRO 92 N 1.30 -0.14 -0.10 3.99 -0.04 -1.26 -4.85 135.00 133.91 2dm8 n PRO 92 Ca -0.06 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.64 2dm8 n PRO 92 Cb 0.50 0.00 0.69 0.00 -0.04 0.00 0.00 33.50 34.66 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 0.03 -6.04 0.54 5.75 -1.96 -3.40 115.11 110.04 2dm8 h GLN 93 Ca 0.00 -0.00 -0.68 0.00 -0.15 0.00 0.00 58.65 57.82 2dm8 h GLN 93 Cb 0.00 -0.01 -0.19 0.00 1.07 0.00 0.00 27.48 28.35 2dm8 h GLN 93 CO 0.00 0.02 -0.69 0.15 -2.65 0.00 0.00 178.83 175.66 2dm8 s LYS 94 N -5.03 2.86 -0.32 1.69 3.01 -1.26 -0.32 119.74 120.38 2dm8 s LYS 94 Ca -0.05 -0.54 0.02 0.00 -1.01 0.00 0.00 55.97 54.39 2dm8 s LYS 94 Cb 0.21 -2.63 0.09 0.00 -1.01 0.00 0.00 37.83 34.49 2dm8 s LYS 94 CO 0.75 0.62 0.04 0.08 0.51 0.00 0.00 175.35 177.35 2dm8 s VAL 95 N -0.68 1.87 -0.15 3.17 1.01 -0.36 -4.96 120.40 120.31 2dm8 s VAL 95 Ca 0.10 -1.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 2dm8 s VAL 95 Cb -0.11 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2dm8 s VAL 95 CO 0.02 -0.52 0.22 -0.60 0.00 0.00 0.00 175.10 174.22 2dm8 s ARG 96 N 1.13 4.05 0.06 2.72 3.52 -1.26 -2.05 118.95 127.13 2dm8 s ARG 96 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 2dm8 s ARG 96 Cb -0.19 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 2dm8 s ARG 96 CO -0.11 0.40 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.22 2dm8 s LEU 97 N 0.02 2.45 -0.31 -0.88 1.02 0.82 -0.29 118.68 121.52 2dm8 s LEU 97 Ca 0.14 -0.91 -0.03 0.00 0.02 0.00 0.00 54.13 53.36 2dm8 s LEU 97 Cb -0.12 0.08 0.05 0.00 0.02 0.00 0.00 46.19 46.21 2dm8 s LEU 97 CO 0.03 -0.49 0.02 -0.69 0.02 0.00 0.00 176.35 175.24 2dm8 s VAL 98 N -3.34 3.18 0.22 -1.59 1.01 -0.97 0.25 120.40 119.17 2dm8 s VAL 98 Ca 0.04 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.79 2dm8 s VAL 98 Cb 0.04 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2dm8 s VAL 98 CO -0.07 -0.10 0.26 0.68 0.00 0.00 0.00 175.10 175.87 2dm8 s VAL 99 N 1.30 4.84 -0.17 2.92 -7.23 -0.84 -1.50 120.40 119.71 2dm8 s VAL 99 Ca -0.04 -1.14 -0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2dm8 s VAL 99 Cb -0.19 -3.59 0.07 0.00 0.56 0.00 0.00 36.38 33.23 2dm8 s VAL 99 CO -0.00 -0.28 0.13 -0.47 -0.31 0.00 0.00 175.10 174.16 2dm8 s TYR 100 N -1.99 0.04 -0.70 2.82 5.04 -0.98 -2.30 117.35 119.28 2dm8 s TYR 100 Ca 0.33 -0.11 -0.08 0.00 -2.44 0.00 0.00 57.07 54.77 2dm8 s TYR 100 Cb -0.09 -0.58 0.18 0.00 0.35 0.00 0.00 41.96 41.83 2dm8 s TYR 100 CO 0.27 -0.52 0.57 0.50 -1.34 0.00 0.00 175.55 175.02 2dm8 s ARG 101 N 2.20 2.99 0.45 4.97 3.52 -1.26 -4.26 118.95 127.57 2dm8 s ARG 101 Ca 0.04 -2.44 -0.25 0.00 -0.13 0.00 0.00 55.73 52.94 2dm8 s ARG 101 Cb -0.16 -4.04 -0.08 0.00 -1.56 0.00 0.00 34.95 29.11 2dm8 s ARG 101 CO -0.10 -1.23 1.43 0.16 -0.81 0.00 0.00 175.30 174.76 2dm8 s ASP 102 N 1.46 5.85 -0.27 -2.12 1.47 -1.26 -2.56 116.67 119.24 2dm8 s ASP 102 Ca 0.16 2.94 0.12 0.00 1.18 0.00 0.00 52.55 56.95 2dm8 s ASP 102 Cb -0.17 -2.65 0.78 0.00 -0.34 0.00 0.00 42.92 40.54 2dm8 s ASP 102 CO -0.05 -1.20 1.75 -1.84 0.68 0.00 0.00 175.17 174.51 2dm8 n GLU 103 N -0.22 4.41 -0.04 2.11 -0.00 -1.26 -4.27 120.64 121.37 2dm8 n GLU 103 Ca 0.05 -3.07 -0.15 0.00 -0.00 0.00 0.00 57.16 54.00 2dm8 n GLU 103 Cb 0.42 -2.24 -0.12 0.00 -0.00 0.00 0.00 31.44 29.49 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm8 h ALA 104 N 3.49 -0.00 -0.19 -1.84 0.00 -2.01 -3.36 119.26 115.34 2dm8 h ALA 104 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2dm8 h ALA 104 Cb 2.10 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.83 2dm8 h ALA 104 CO 0.58 0.04 -0.41 0.72 0.00 0.00 0.00 179.25 180.18 2dm8 n HIS 105 N -4.56 0.63 -0.07 0.00 8.25 -1.26 -4.85 115.22 113.36 2dm8 n HIS 105 Ca -0.10 -1.63 -0.08 0.00 -0.26 0.00 0.00 57.72 55.65 2dm8 n HIS 105 Cb 0.50 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 1.14 -0.97 -1.94 4.41 3.20 -1.74 -3.41 116.97 117.66 2dm8 h TYR 106 Ca 0.11 0.05 -0.63 0.00 3.14 0.00 0.00 58.73 61.40 2dm8 h TYR 106 Cb 1.23 0.45 0.11 0.00 1.54 0.00 0.00 36.73 40.07 2dm8 h TYR 106 CO 0.86 -0.28 -0.17 -2.13 -1.64 0.00 0.00 178.16 174.79 2dm8 n ARG 107 N -4.22 0.77 -0.63 1.82 3.00 -1.26 -4.90 116.66 111.25 2dm8 n ARG 107 Ca -0.02 0.27 -0.28 0.00 -0.00 0.00 0.00 57.85 57.82 2dm8 n ARG 107 Cb 0.20 -1.50 0.16 0.00 0.00 0.00 0.00 32.46 31.32 2dm8 n ARG 107 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2dm8 n ASP 108 N 1.50 -2.68 -4.87 6.15 5.75 -1.26 -4.96 116.55 116.18 2dm8 n ASP 108 Ca 0.13 -0.24 -0.30 0.00 -0.01 0.00 0.00 54.79 54.37 2dm8 n ASP 108 Cb 0.31 -0.87 -0.01 0.00 -1.03 0.00 0.00 41.12 39.52 2dm8 n ASP 108 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2dm8 s GLU 109 N -3.43 3.69 -0.02 0.11 -1.05 -1.26 -5.06 118.70 111.69 2dm8 s GLU 109 Ca 0.49 0.65 -0.17 0.00 -0.15 0.00 0.00 54.97 55.79 2dm8 s GLU 109 Cb -0.08 -2.19 -0.05 0.00 -0.44 0.00 0.00 34.13 31.36 2dm8 s GLU 109 CO 0.55 -0.36 0.46 -2.00 0.95 0.00 0.00 175.26 174.87 2dm8 s GLU 110 N -4.66 4.12 -0.05 -4.83 2.12 -1.26 -4.97 118.70 109.16 2dm8 s GLU 110 Ca 0.54 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 2dm8 s GLU 110 Cb -0.11 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2dm8 s GLU 110 CO 0.44 0.51 -0.07 0.45 -0.54 0.00 0.00 175.26 176.05 2dm8 n SER 111 N 2.39 0.41 0.00 -1.70 2.88 -1.26 -5.16 113.62 111.18 2dm8 n SER 111 Ca -0.11 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2dm8 n SER 111 Cb 0.52 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 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 2.70 -0.53 0.00 0.46 0.00 -1.26 -4.94 105.19 101.62 2dm8 n GLY 112 Ca -0.10 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.04 -2.97 1.61 -0.04 -1.26 -4.76 135.00 127.62 2dm8 n PRO 113 Ca 0.00 0.24 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 2dm8 n PRO 113 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2dm8 n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm8 s SER 114 N -2.92 6.84 -0.20 3.54 0.15 -1.26 -5.06 113.70 114.79 2dm8 s SER 114 Ca 0.08 1.48 -0.09 0.00 0.70 0.00 0.00 55.95 58.12 2dm8 s SER 114 Cb 0.09 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2dm8 s SER 114 CO 0.25 -0.29 0.10 -0.55 1.20 0.00 0.00 173.24 173.95 2dm8 s SER 115 N -2.26 5.83 0.00 5.45 0.15 -1.26 -4.93 113.70 116.67 2dm8 s SER 115 Ca 0.58 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.33 2dm8 s SER 115 Cb -0.10 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2dm8 s SER 115 CO 0.16 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.34