#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 6.97 0.04 1.61 0.01 -1.26 -4.87 113.70 116.21 2dm8 s SER 2 Ca 0.00 1.79 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2dm8 s SER 2 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2dm8 s SER 2 CO 0.00 -0.69 0.00 -1.20 0.41 0.00 0.00 173.24 171.76 2dm8 n SER 3 N 5.96 0.41 0.00 2.44 7.64 -1.26 -5.05 113.62 123.76 2dm8 n SER 3 Ca 0.13 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2dm8 n SER 3 Cb 0.45 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 3.11 -1.81 2.98 0.23 0.00 -1.26 -5.13 105.19 103.30 2dm8 n GLY 4 Ca 0.00 0.79 -0.31 0.00 0.00 0.00 0.00 46.02 46.50 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 4.19 0.18 1.61 0.15 -1.26 -5.09 113.70 113.49 2dm8 s SER 5 Ca 0.00 -1.43 -0.23 0.00 0.70 0.00 0.00 55.95 54.99 2dm8 s SER 5 Cb 0.00 -1.35 0.07 0.00 -1.71 0.00 0.00 66.02 63.03 2dm8 s SER 5 CO 0.00 -0.26 0.97 -0.94 1.20 0.00 0.00 173.24 174.21 2dm8 s SER 6 N 1.24 -0.11 0.12 5.45 1.04 -1.26 -5.17 113.70 115.02 2dm8 s SER 6 Ca -0.03 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 2dm8 s SER 6 Cb -0.19 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.39 2dm8 s SER 6 CO -0.07 -1.00 0.46 -0.83 0.98 0.00 0.00 173.24 172.78 2dm8 s GLY 7 N -3.09 2.37 0.22 7.32 0.00 -1.26 -5.00 107.32 107.87 2dm8 s GLY 7 Ca 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 44.72 44.56 2dm8 s GLY 7 CO 0.04 -0.07 1.58 -0.56 0.00 0.00 0.00 173.10 174.09 2dm8 h PRO 8 N 3.49 0.57 0.05 2.90 0.13 -1.88 -2.73 132.00 134.54 2dm8 h PRO 8 Ca -0.48 -0.30 -0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2dm8 h PRO 8 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2dm8 h PRO 8 CO 0.67 0.89 -0.02 0.00 -0.23 0.00 0.00 178.00 179.30 2dm8 h ALA 9 N 1.07 -0.07 -0.76 -0.56 0.00 -1.83 -3.35 119.26 113.78 2dm8 h ALA 9 Ca 0.04 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.93 2dm8 h ALA 9 Cb 0.93 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 2dm8 h ALA 9 CO 0.08 -0.08 0.08 1.79 0.00 0.00 0.00 179.25 181.13 2dm8 h THR 10 N -0.99 0.39 -3.69 0.00 1.35 -1.94 -3.39 112.91 104.65 2dm8 h THR 10 Ca -0.01 -0.06 -0.50 0.00 -0.55 0.00 0.00 66.41 65.30 2dm8 h THR 10 Cb 0.40 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 2dm8 h THR 10 CO 0.01 0.03 0.27 0.00 -0.25 0.00 0.00 175.52 175.58 2dm8 s PRO 12 N -1.47 -0.29 0.25 0.00 0.04 -1.26 -4.82 135.00 127.44 2dm8 s PRO 12 Ca 0.42 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 2dm8 s PRO 12 Cb -0.22 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 2dm8 s PRO 12 CO 0.27 -3.16 1.05 0.42 0.04 0.00 0.00 177.00 175.62 2dm8 s ILE 13 N -2.98 3.74 -0.28 0.56 1.01 -1.26 -5.03 121.20 116.96 2dm8 s ILE 13 Ca 0.68 1.70 -0.07 0.00 0.00 0.00 0.00 60.65 62.96 2dm8 s ILE 13 Cb -0.15 -4.08 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2dm8 s ILE 13 CO 0.57 0.38 0.06 -0.69 0.00 0.00 0.00 174.94 175.27 2dm8 s VAL 14 N -0.97 3.97 0.75 2.92 1.01 -1.26 -5.10 120.40 121.72 2dm8 s VAL 14 Ca 0.44 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 2dm8 s VAL 14 Cb -0.30 -2.98 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2dm8 s VAL 14 CO 0.37 0.18 1.09 -2.16 0.00 0.00 0.00 175.10 174.58 2dm8 s PRO 15 N 1.52 2.36 0.00 2.72 0.04 -1.26 -3.56 135.00 136.82 2dm8 s PRO 15 Ca 0.04 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.29 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 0.02 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2dm8 n GLY 16 N -1.08 1.42 3.61 0.56 0.00 -1.14 -4.89 105.19 103.67 2dm8 n GLY 16 Ca 0.09 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 2.18 0.20 1.61 -2.07 -1.23 -4.98 119.66 115.37 2dm8 s GLN 17 Ca 0.00 -1.50 -0.23 0.00 -1.82 0.00 0.00 55.36 51.81 2dm8 s GLN 17 Cb 0.00 -2.08 -0.08 0.00 -1.09 0.00 0.00 33.01 29.76 2dm8 s GLN 17 CO 0.00 0.34 0.77 -1.21 -1.32 0.00 0.00 175.29 173.87 2dm8 s GLU 18 N -3.65 4.43 0.29 9.60 2.02 -1.26 -4.51 118.70 125.62 2dm8 s GLU 18 Ca 0.31 1.05 0.05 0.00 0.02 0.00 0.00 54.97 56.40 2dm8 s GLU 18 Cb -0.06 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 2dm8 s GLU 18 CO 0.19 0.47 0.24 0.00 0.02 0.00 0.00 175.26 176.17 2dm8 s MET 19 N -1.59 1.59 0.01 1.61 0.23 -0.93 -5.01 119.30 115.21 2dm8 s MET 19 Ca 0.40 -1.90 0.05 0.00 -1.03 0.00 0.00 55.69 53.21 2dm8 s MET 19 Cb -0.20 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.40 2dm8 s MET 19 CO 0.24 -0.57 -0.14 0.42 -2.03 0.00 0.00 175.02 172.93 2dm8 s ILE 20 N -3.66 1.10 -0.07 3.16 1.09 -1.26 -1.92 121.20 119.64 2dm8 s ILE 20 Ca 0.40 -0.78 0.05 0.00 -1.10 0.00 0.00 60.65 59.22 2dm8 s ILE 20 Cb 0.04 -0.96 -0.00 0.00 -1.06 0.00 0.00 42.46 40.48 2dm8 s ILE 20 CO 0.23 0.17 -0.21 0.27 -0.10 0.00 0.00 174.94 175.30 2dm8 s ILE 21 N -0.56 1.80 -0.33 2.92 -4.36 -0.10 -4.49 121.20 116.09 2dm8 s ILE 21 Ca 0.04 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2dm8 s ILE 21 Cb -0.06 -1.55 0.07 0.00 1.25 0.00 0.00 42.46 42.17 2dm8 s ILE 21 CO 0.00 0.50 0.05 -0.70 0.24 0.00 0.00 174.94 175.03 2dm8 s GLU 22 N 0.15 2.17 -0.18 0.37 2.12 -1.26 -1.94 118.70 120.14 2dm8 s GLU 22 Ca -0.10 -1.50 -0.03 0.00 0.36 0.00 0.00 54.97 53.70 2dm8 s GLU 22 Cb -0.15 -3.25 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2dm8 s GLU 22 CO 0.05 -0.77 -0.05 0.42 -0.54 0.00 0.00 175.26 174.37 2dm8 s ILE 23 N 1.16 3.61 -0.28 -3.70 1.01 -0.53 -4.65 121.20 117.82 2dm8 s ILE 23 Ca 0.00 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2dm8 s ILE 23 Cb -0.20 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.65 2dm8 s ILE 23 CO -0.03 0.47 0.65 -0.55 0.00 0.00 0.00 174.94 175.47 2dm8 s SER 24 N 0.79 6.56 1.12 3.58 0.15 -1.26 -1.15 113.70 123.48 2dm8 s SER 24 Ca -0.02 0.60 -0.14 0.00 0.70 0.00 0.00 55.95 57.09 2dm8 s SER 24 Cb -0.15 -2.34 0.20 0.00 -1.71 0.00 0.00 66.02 62.02 2dm8 s SER 24 CO 0.02 -0.44 0.64 0.29 1.20 0.00 0.00 173.24 174.95 2dm8 n LYS 25 N 5.83 -1.85 -3.48 5.44 5.02 -0.43 -5.01 118.16 123.69 2dm8 n LYS 25 Ca -0.00 -0.51 -0.28 0.00 -2.02 0.00 0.00 58.31 55.50 2dm8 n LYS 25 Cb 0.49 -2.01 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 2dm8 n LYS 25 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dm8 s GLY 26 N -2.20 0.60 -0.14 0.72 0.00 -1.26 -4.89 107.32 100.14 2dm8 s GLY 26 Ca 0.63 -1.44 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 2dm8 s GLY 26 CO 0.65 2.16 0.04 -0.96 0.00 0.00 0.00 173.10 175.00 2dm8 n ARG 27 N 4.55 -2.49 -3.83 2.90 1.85 -1.26 -4.74 116.66 113.64 2dm8 n ARG 27 Ca 0.05 0.01 -0.07 0.00 -1.00 0.00 0.00 57.85 56.84 2dm8 n ARG 27 Cb 0.40 -3.76 0.02 0.00 -1.05 0.00 0.00 32.46 28.06 2dm8 n ARG 27 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2dm8 s SER 28 N -1.77 -0.03 -0.11 2.89 0.01 -1.26 -5.16 113.70 108.26 2dm8 s SER 28 Ca 0.06 -0.97 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2dm8 s SER 28 Cb -0.04 0.76 -0.03 0.00 0.21 0.00 0.00 66.02 66.92 2dm8 s SER 28 CO 0.08 -1.49 -0.01 -0.83 0.41 0.00 0.00 173.24 171.40 2dm8 s GLY 29 N -3.11 1.80 0.06 3.44 0.00 -1.26 -4.90 107.32 103.35 2dm8 s GLY 29 Ca 0.16 -0.81 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 2dm8 s GLY 29 CO 0.09 -0.39 0.61 1.04 0.00 0.00 0.00 173.10 174.46 2dm8 n LEU 30 N 2.66 -0.39 -3.92 0.66 4.77 -1.26 -4.67 117.00 114.85 2dm8 n LEU 30 Ca -0.18 0.84 -0.36 0.00 -0.03 0.00 0.00 56.01 56.28 2dm8 n LEU 30 Cb 0.53 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.89 2dm8 n LEU 30 CO 0.30 -1.73 0.48 0.61 -1.33 0.00 0.00 177.39 175.72 2dm8 n GLY 31 N 1.25 4.55 3.25 -0.72 0.00 -1.26 -4.88 105.19 107.38 2dm8 n GLY 31 Ca 0.14 -2.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.31 2dm8 n GLY 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dm8 n LEU 32 N 1.71 0.00 -4.05 0.99 -0.00 -1.26 -1.86 117.00 112.53 2dm8 n LEU 32 Ca 0.25 -3.16 -0.08 0.00 -0.00 0.00 0.00 56.01 53.03 2dm8 n LEU 32 Cb 0.37 1.78 -0.10 0.00 -0.00 0.00 0.00 43.42 45.47 2dm8 n LEU 32 CO 0.46 -0.54 -0.32 -0.55 -0.00 0.00 0.00 177.39 176.43 2dm8 s SER 33 N -3.33 0.41 0.13 1.45 0.15 -0.56 -4.87 113.70 107.08 2dm8 s SER 33 Ca 0.39 -0.89 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 2dm8 s SER 33 Cb 0.02 0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.49 2dm8 s SER 33 CO 0.28 -0.58 0.02 0.27 1.20 0.00 0.00 173.24 174.43 2dm8 s ILE 34 N -3.60 0.32 -0.11 6.45 -4.36 -1.26 -2.84 121.20 115.80 2dm8 s ILE 34 Ca 0.04 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 58.42 2dm8 s ILE 34 Cb 0.05 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.83 2dm8 s ILE 34 CO -0.09 -0.58 0.28 0.68 0.24 0.00 0.00 174.94 175.48 2dm8 s VAL 35 N -3.89 -0.00 -0.93 8.37 -7.23 0.52 -4.72 120.40 112.52 2dm8 s VAL 35 Ca 0.21 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 2dm8 s VAL 35 Cb 0.07 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.60 2dm8 s VAL 35 CO 0.00 0.01 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 2dm8 n GLY 36 N 3.10 0.53 0.00 2.32 0.00 -1.26 -2.01 105.19 107.87 2dm8 n GLY 36 Ca -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 0.16 0.00 -0.02 0.00 -0.55 -3.76 105.19 101.02 2dm8 n GLY 37 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.52 1.61 5.02 -1.26 -3.75 118.16 119.27 2dm8 n LYS 38 Ca 0.00 0.00 0.43 0.00 -2.02 0.00 0.00 58.31 56.72 2dm8 n LYS 38 Cb 0.00 -0.32 0.74 0.00 -0.02 0.00 0.00 35.03 35.43 2dm8 n LYS 38 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2dm8 h ASP 39 N 0.00 0.09 -4.16 4.39 2.03 -1.94 -3.40 116.42 113.43 2dm8 h ASP 39 Ca 0.00 0.04 -0.49 0.00 -0.73 0.00 0.00 57.03 55.85 2dm8 h ASP 39 Cb 0.00 0.04 0.06 0.00 -0.83 0.00 0.00 39.33 38.60 2dm8 h ASP 39 CO 0.00 -0.05 0.38 0.42 -1.03 0.00 0.00 179.24 178.96 2dm8 s THR 40 N -5.04 3.68 -2.00 1.15 -4.23 -1.26 -4.91 115.64 103.03 2dm8 s THR 40 Ca -0.06 0.86 0.12 0.00 -1.18 0.00 0.00 61.69 61.43 2dm8 s THR 40 Cb 0.27 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 71.10 2dm8 s THR 40 CO 0.85 -0.41 1.15 -0.81 -0.54 0.00 0.00 174.62 174.86 2dm8 n PRO 41 N -1.82 0.49 -3.99 3.99 -0.04 -1.26 -4.51 135.00 127.85 2dm8 n PRO 41 Ca 0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.25 2dm8 n PRO 41 Cb 0.52 -1.39 -0.16 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 -1.78 2.02 -0.15 1.53 2.34 -1.26 -4.99 118.68 116.39 2dm8 s LEU 42 Ca 0.18 -0.73 0.01 0.00 0.06 0.00 0.00 54.13 53.65 2dm8 s LEU 42 Cb 0.08 -1.19 0.21 0.00 -0.56 0.00 0.00 46.19 44.74 2dm8 s LEU 42 CO 0.14 -0.12 1.34 -0.46 -1.06 0.00 0.00 176.35 176.19 2dm8 n ASN 43 N 4.73 3.39 -3.72 1.48 0.23 -1.25 -1.49 115.26 118.64 2dm8 n ASN 43 Ca -0.15 -2.54 -0.17 0.00 -0.53 0.00 0.00 54.58 51.19 2dm8 n ASN 43 Cb 0.48 -0.63 -0.17 0.00 -2.08 0.00 0.00 39.78 37.38 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dm8 s ALA 44 N -1.08 0.13 0.13 -2.53 0.00 -1.26 -4.51 121.76 112.64 2dm8 s ALA 44 Ca 0.19 0.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.11 2dm8 s ALA 44 Cb 0.16 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.77 2dm8 s ALA 44 CO 0.03 -0.28 1.34 0.42 0.00 0.00 0.00 175.76 177.27 2dm8 s ILE 45 N 1.57 3.37 0.01 0.00 -1.09 -1.22 -4.49 121.20 119.35 2dm8 s ILE 45 Ca -0.03 1.02 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 2dm8 s ILE 45 Cb -0.13 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 2dm8 s ILE 45 CO -0.03 0.10 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.97 2dm8 s VAL 46 N 0.80 0.90 -0.83 2.92 1.01 -0.85 0.21 120.40 124.56 2dm8 s VAL 46 Ca 0.61 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2dm8 s VAL 46 Cb -0.36 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.27 2dm8 s VAL 46 CO 0.32 0.16 1.37 -0.63 0.00 0.00 0.00 175.10 176.32 2dm8 s ILE 47 N -0.45 3.77 0.05 2.22 1.01 -1.11 -0.36 121.20 126.33 2dm8 s ILE 47 Ca 0.03 -0.00 -0.27 0.00 0.00 0.00 0.00 60.65 60.40 2dm8 s ILE 47 Cb -0.05 -4.91 -0.15 0.00 0.01 0.00 0.00 42.46 37.36 2dm8 s ILE 47 CO 0.00 -1.84 1.41 -0.74 0.00 0.00 0.00 174.94 173.78 2dm8 h HIS 48 N 10.15 -0.95 -3.86 3.97 -0.00 -1.75 -3.23 115.15 119.49 2dm8 h HIS 48 Ca -0.11 -0.01 -0.38 0.00 -0.00 0.00 0.00 60.37 59.86 2dm8 h HIS 48 Cb 1.04 0.33 -0.20 0.00 -0.00 0.00 0.00 27.41 28.58 2dm8 h HIS 48 CO 1.18 -0.55 -0.76 -2.00 -0.00 0.00 0.00 177.93 175.79 2dm8 s GLU 49 N -5.15 0.82 -0.55 5.26 2.56 -1.26 -4.78 118.70 115.60 2dm8 s GLU 49 Ca -0.14 -1.01 0.04 0.00 0.00 0.00 0.00 54.97 53.85 2dm8 s GLU 49 Cb 0.02 -0.72 0.14 0.00 2.00 0.00 0.00 34.13 35.56 2dm8 s GLU 49 CO 0.44 0.15 0.31 0.08 -0.56 0.00 0.00 175.26 175.67 2dm8 s VAL 50 N -1.62 2.73 -0.01 3.70 1.01 -1.26 -1.50 120.40 123.44 2dm8 s VAL 50 Ca -0.00 -3.42 -0.37 0.00 0.00 0.00 0.00 61.98 58.19 2dm8 s VAL 50 Cb -0.08 -2.87 -0.16 0.00 0.00 0.00 0.00 36.38 33.28 2dm8 s VAL 50 CO 0.02 -0.83 1.50 -1.22 0.00 0.00 0.00 175.10 174.57 2dm8 n TYR 51 N 2.99 1.78 0.30 5.22 4.01 -0.78 -4.81 117.16 125.88 2dm8 n TYR 51 Ca 0.07 0.53 0.10 0.00 -0.16 0.00 0.00 57.90 58.44 2dm8 n TYR 51 Cb 0.33 -2.41 0.46 0.00 -0.31 0.00 0.00 39.34 37.41 2dm8 n TYR 51 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2dm8 n GLU 52 N 3.58 0.14 -1.61 -0.72 0.28 -1.26 -2.98 120.64 118.07 2dm8 n GLU 52 Ca 0.20 0.48 -0.32 0.00 -0.16 0.00 0.00 57.16 57.37 2dm8 n GLU 52 Cb 0.19 -1.83 -0.01 0.00 1.43 0.00 0.00 31.44 31.23 2dm8 n GLU 52 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2dm8 n GLU 53 N -2.11 2.52 -3.61 3.44 0.28 -1.26 -4.58 120.64 115.32 2dm8 n GLU 53 Ca 0.01 -2.81 -0.10 0.00 -0.16 0.00 0.00 57.16 54.10 2dm8 n GLU 53 Cb 0.14 -2.17 -0.03 0.00 1.43 0.00 0.00 31.44 30.81 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2dm8 s GLY 54 N -0.34 -0.34 0.33 -1.84 0.00 -1.16 -4.45 107.32 99.53 2dm8 s GLY 54 Ca 0.55 0.09 0.01 0.00 0.00 0.00 0.00 44.72 45.37 2dm8 s GLY 54 CO -0.27 -0.06 1.96 0.00 0.00 0.00 0.00 173.10 174.73 2dm8 h ALA 55 N 2.10 1.45 -0.20 3.20 0.00 -1.87 -1.42 119.26 122.52 2dm8 h ALA 55 Ca -0.30 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.58 2dm8 h ALA 55 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dm8 h ALA 55 CO 0.37 0.47 0.17 0.00 0.00 0.00 0.00 179.25 180.26 2dm8 h ALA 56 N 1.53 1.98 0.00 0.00 0.00 -1.88 -2.44 119.26 118.44 2dm8 h ALA 56 Ca 0.23 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2dm8 h ALA 56 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dm8 h ALA 56 CO -0.04 -0.27 -0.53 0.00 0.00 0.00 0.00 179.25 178.41 2dm8 h ALA 57 N 1.84 0.06 -0.58 0.00 0.00 -1.46 -3.09 119.26 116.02 2dm8 h ALA 57 Ca 0.09 -0.56 0.17 0.00 0.00 0.00 0.00 54.91 54.61 2dm8 h ALA 57 Cb 0.44 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2dm8 h ALA 57 CO -0.00 0.41 0.91 0.07 0.00 0.00 0.00 179.25 180.64 2dm8 h ARG 58 N -1.00 0.00 0.12 0.00 -0.00 -1.24 0.73 114.38 112.99 2dm8 h ARG 58 Ca -0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 59.98 59.57 2dm8 h ARG 58 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.57 2dm8 h ARG 58 CO -0.05 0.00 -1.82 0.22 -0.00 0.00 0.00 179.97 178.33 2dm8 h ASP 59 N 0.00 0.40 0.00 0.08 1.82 -1.58 -3.48 116.42 113.66 2dm8 h ASP 59 Ca 0.28 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 56.02 2dm8 h ASP 59 Cb 2.09 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.97 2dm8 h ASP 59 CO -0.00 1.79 0.00 0.61 -1.61 0.00 0.00 179.24 180.02 2dm8 n GLY 60 N 1.88 2.62 0.43 -0.78 0.00 0.25 -4.85 105.19 104.75 2dm8 n GLY 60 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 0.16 -0.25 -6.26 1.61 2.47 -1.85 -3.37 114.38 106.90 2dm8 h ARG 61 Ca 0.00 0.02 -0.56 0.00 -1.26 0.00 0.00 59.98 58.18 2dm8 h ARG 61 Cb 0.00 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2dm8 h ARG 61 CO 0.00 -0.17 1.12 -0.51 0.56 0.00 0.00 179.97 180.98 2dm8 s LEU 62 N -10.46 4.06 0.00 3.04 1.43 -1.26 -4.95 118.68 110.54 2dm8 s LEU 62 Ca -0.14 1.89 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 2dm8 s LEU 62 Cb 0.11 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.93 2dm8 s LEU 62 CO 0.63 -1.13 0.91 0.79 0.23 0.00 0.00 176.35 177.77 2dm8 n TRP 63 N 7.99 -3.04 -1.06 0.29 7.02 -1.26 -4.87 117.44 122.50 2dm8 n TRP 63 Ca 0.18 -1.54 -0.08 0.00 -1.02 0.00 0.00 57.50 55.05 2dm8 n TRP 63 Cb 0.44 -0.66 0.30 0.00 -2.42 0.00 0.00 31.31 28.97 2dm8 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dm8 n ALA 64 N -2.96 4.71 -1.56 6.99 0.00 -1.26 -4.16 120.51 122.27 2dm8 n ALA 64 Ca -0.15 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 50.90 2dm8 n ALA 64 Cb 0.53 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.22 -0.85 3.90 0.00 0.00 -1.22 -4.48 105.19 102.32 2dm8 n GLY 65 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.20 4.88 -0.24 1.61 1.11 -1.26 -4.89 116.67 117.69 2dm8 s ASP 66 Ca 0.00 0.82 0.00 0.00 0.18 0.00 0.00 52.55 53.55 2dm8 s ASP 66 Cb 0.00 -1.45 0.06 0.00 1.07 0.00 0.00 42.92 42.60 2dm8 s ASP 66 CO 0.00 -1.65 -0.02 -1.10 1.18 0.00 0.00 175.17 173.58 2dm8 s GLN 67 N -5.43 1.40 0.21 8.23 -0.21 -1.23 -2.76 119.66 119.88 2dm8 s GLN 67 Ca 0.60 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 2dm8 s GLN 67 Cb -0.11 -2.50 -0.08 0.00 1.00 0.00 0.00 33.01 31.32 2dm8 s GLN 67 CO 0.49 -0.65 0.99 0.42 -2.12 0.00 0.00 175.29 174.42 2dm8 s ILE 68 N 1.46 4.05 -0.05 1.08 1.01 0.13 -2.78 121.20 126.10 2dm8 s ILE 68 Ca -0.03 1.94 0.07 0.00 0.00 0.00 0.00 60.65 62.62 2dm8 s ILE 68 Cb -0.18 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 37.95 2dm8 s ILE 68 CO -0.08 0.41 0.07 0.18 0.00 0.00 0.00 174.94 175.53 2dm8 n LEU 69 N 1.85 0.00 -3.58 2.97 4.77 -0.88 -3.44 117.00 118.68 2dm8 n LEU 69 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 2dm8 n LEU 69 Cb 0.47 0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 2dm8 n LEU 69 CO 0.51 0.12 0.25 -0.70 -1.33 0.00 0.00 177.39 176.24 2dm8 s GLU 70 N -2.29 1.18 -0.10 3.23 2.12 -1.26 -2.35 118.70 119.23 2dm8 s GLU 70 Ca -0.03 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.59 2dm8 s GLU 70 Cb 0.03 0.52 0.05 0.00 0.26 0.00 0.00 34.13 34.99 2dm8 s GLU 70 CO 0.30 -0.49 0.23 0.54 -0.54 0.00 0.00 175.26 175.30 2dm8 s VAL 71 N -3.80 -0.14 -0.74 3.70 0.11 -0.86 -2.34 120.40 116.33 2dm8 s VAL 71 Ca 0.03 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2dm8 s VAL 71 Cb 0.01 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.49 2dm8 s VAL 71 CO -0.11 0.08 0.00 -3.20 -3.33 0.00 0.00 175.10 168.54 2dm8 n ASN 72 N 4.56 -2.70 -0.12 3.54 2.85 0.75 0.54 115.26 124.69 2dm8 n ASN 72 Ca -0.20 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 2dm8 n ASN 72 Cb 0.52 -2.43 0.00 0.00 1.24 0.00 0.00 39.78 39.11 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 -0.55 0.78 2.71 8.20 0.00 -1.26 -5.06 105.19 110.02 2dm8 n GLY 73 Ca -0.09 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 0.64 0.18 1.61 1.01 0.19 -5.11 120.40 116.68 2dm8 s VAL 74 Ca 0.00 -0.99 -0.33 0.00 0.00 0.00 0.00 61.98 60.66 2dm8 s VAL 74 Cb 0.00 -1.34 -0.15 0.00 0.00 0.00 0.00 36.38 34.89 2dm8 s VAL 74 CO 0.00 -0.49 1.22 -0.67 0.00 0.00 0.00 175.10 175.16 2dm8 n ASP 75 N 4.97 1.67 -0.02 3.32 2.03 -1.26 -2.03 116.55 125.23 2dm8 n ASP 75 Ca -0.05 1.14 -0.02 0.00 0.52 0.00 0.00 54.79 56.37 2dm8 n ASP 75 Cb 0.44 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.56 2dm8 n ASP 75 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dm8 n LEU 76 N 2.07 1.82 -0.14 -2.67 4.77 -0.99 -4.25 117.00 117.61 2dm8 n LEU 76 Ca 0.14 -0.01 0.25 0.00 -0.03 0.00 0.00 56.01 56.36 2dm8 n LEU 76 Cb 0.26 -0.05 0.41 0.00 -2.33 0.00 0.00 43.42 41.71 2dm8 n LEU 76 CO 0.61 0.37 1.23 0.08 -1.33 0.00 0.00 177.39 178.36 2dm8 h ARG 77 N 0.00 0.00 0.00 3.23 0.11 -1.79 0.11 114.38 116.04 2dm8 h ARG 77 Ca -0.08 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.60 2dm8 h ARG 77 Cb 1.15 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.17 2dm8 h ARG 77 CO -0.01 0.00 -2.35 -1.71 0.10 0.00 0.00 179.97 176.00 2dm8 n ASN 78 N -3.20 1.81 -4.47 0.08 4.05 -1.26 -4.36 115.26 107.91 2dm8 n ASN 78 Ca 0.20 0.22 -0.38 0.00 0.45 0.00 0.00 54.58 55.07 2dm8 n ASN 78 Cb 1.42 -0.65 0.04 0.00 1.23 0.00 0.00 39.78 41.82 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2dm8 n SER 79 N -3.92 -1.03 -3.09 1.20 7.64 0.39 -4.45 113.62 110.36 2dm8 n SER 79 Ca -0.47 0.71 -0.16 0.00 1.01 0.00 0.00 58.87 59.96 2dm8 n SER 79 Cb 0.86 -1.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.35 -2.11 0.25 6.43 3.41 -1.26 -3.99 113.62 116.69 2dm8 n SER 80 Ca 0.11 -0.74 -0.10 0.00 -0.26 0.00 0.00 58.87 57.88 2dm8 n SER 80 Cb 0.48 -0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.41 -0.63 -1.01 7.33 2.76 -1.91 -2.77 115.15 116.51 2dm8 h HIS 81 Ca -0.22 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.18 2dm8 h HIS 81 Cb 0.70 0.21 -0.10 0.00 1.55 0.00 0.00 27.41 29.77 2dm8 h HIS 81 CO 0.00 -0.39 0.64 1.05 -1.30 0.00 0.00 177.93 177.92 2dm8 h GLU 82 N -1.09 0.50 0.27 5.26 4.11 -1.94 -0.75 114.58 120.93 2dm8 h GLU 82 Ca -0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2dm8 h GLU 82 Cb 0.52 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2dm8 h GLU 82 CO 0.11 0.33 -0.13 0.93 0.07 0.00 0.00 179.01 180.32 2dm8 h GLU 83 N 0.51 -0.34 -0.84 1.06 4.39 -1.91 -2.26 114.58 115.18 2dm8 h GLU 83 Ca 0.59 0.02 0.19 0.00 0.34 0.00 0.00 59.36 60.51 2dm8 h GLU 83 Cb 1.30 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.97 2dm8 h GLU 83 CO -0.34 -0.23 0.56 0.00 -1.16 0.00 0.00 179.01 177.84 2dm8 h ALA 84 N 0.38 2.25 0.13 3.43 0.00 -0.84 -0.40 119.26 124.21 2dm8 h ALA 84 Ca -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dm8 h ALA 84 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dm8 h ALA 84 CO 0.06 -0.50 -0.06 0.82 0.00 0.00 0.00 179.25 179.57 2dm8 h ILE 85 N 0.36 1.01 -0.82 0.00 1.08 -1.04 -2.92 117.51 115.17 2dm8 h ILE 85 Ca 0.43 -0.65 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2dm8 h ILE 85 Cb 1.11 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 36.23 2dm8 h ILE 85 CO -0.14 0.15 0.48 0.74 -0.69 0.00 0.00 178.15 178.70 2dm8 h THR 86 N -0.49 1.23 -0.13 -0.27 2.02 -0.79 -1.63 112.91 112.86 2dm8 h THR 86 Ca -0.02 -0.52 0.04 0.00 0.77 0.00 0.00 66.41 66.68 2dm8 h THR 86 Cb 0.39 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2dm8 h THR 86 CO 0.03 0.25 0.10 0.00 0.37 0.00 0.00 175.52 176.27 2dm8 h ALA 87 N 1.40 2.00 0.00 6.16 0.00 -1.06 0.56 119.26 128.32 2dm8 h ALA 87 Ca 0.29 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2dm8 h ALA 87 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2dm8 h ALA 87 CO -0.05 -0.17 -0.57 -0.07 0.00 0.00 0.00 179.25 178.39 2dm8 h LEU 88 N 0.00 0.00 -0.45 0.00 3.38 -1.11 -3.22 115.31 113.91 2dm8 h LEU 88 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dm8 h LEU 88 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dm8 h LEU 88 CO -0.00 0.37 -0.41 0.54 0.09 0.00 0.00 178.44 179.03 2dm8 n ARG 89 N -3.11 0.67 -0.37 1.13 1.74 -0.02 -3.81 116.66 112.89 2dm8 n ARG 89 Ca 0.01 -0.45 0.11 0.00 -0.77 0.00 0.00 57.85 56.74 2dm8 n ARG 89 Cb 0.69 -1.49 0.30 0.00 -1.02 0.00 0.00 32.46 30.95 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 -0.77 2.87 -3.13 5.56 1.13 -0.03 -4.95 117.38 118.06 2dm8 n GLN 90 Ca 0.10 -2.61 -0.39 0.00 -1.94 0.00 0.00 57.00 52.15 2dm8 n GLN 90 Cb 0.37 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 29.10 2dm8 n GLN 90 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2dm8 s THR 91 N -1.11 4.77 0.00 5.09 -4.23 -1.25 -5.06 115.64 113.86 2dm8 s THR 91 Ca 0.46 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 62.36 2dm8 s THR 91 Cb 0.25 -4.00 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2dm8 s THR 91 CO 0.30 0.44 0.00 -0.81 -0.54 0.00 0.00 174.62 174.00 2dm8 n PRO 92 N 2.47 -0.20 -0.25 3.99 -0.04 -1.26 -4.88 135.00 134.83 2dm8 n PRO 92 Ca -0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 2dm8 n PRO 92 Cb 0.50 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.06 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 0.02 -5.35 0.54 4.15 -1.97 -3.37 115.11 109.12 2dm8 h GLN 93 Ca 0.00 -0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.81 2dm8 h GLN 93 Cb 0.00 -0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.56 2dm8 h GLN 93 CO 0.00 0.01 -0.23 0.15 -1.93 0.00 0.00 178.83 176.83 2dm8 s LYS 94 N -6.22 4.14 -0.32 1.69 1.02 -1.26 -1.31 119.74 117.47 2dm8 s LYS 94 Ca -0.14 0.14 -0.07 0.00 0.02 0.00 0.00 55.97 55.92 2dm8 s LYS 94 Cb 0.22 -3.56 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2dm8 s LYS 94 CO 0.75 -0.07 0.10 0.08 -0.92 0.00 0.00 175.35 175.28 2dm8 s VAL 95 N 1.43 3.87 -0.10 3.17 1.01 -0.30 -4.98 120.40 124.50 2dm8 s VAL 95 Ca 0.17 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2dm8 s VAL 95 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2dm8 s VAL 95 CO 0.08 -0.09 -0.06 -0.60 0.00 0.00 0.00 175.10 174.43 2dm8 s ARG 96 N 1.44 3.11 0.04 2.72 3.00 -1.26 -1.45 118.95 126.55 2dm8 s ARG 96 Ca 0.00 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.73 54.11 2dm8 s ARG 96 Cb -0.19 -2.71 -0.00 0.00 0.00 0.00 0.00 34.95 32.05 2dm8 s ARG 96 CO 0.03 0.50 0.16 -0.51 0.00 0.00 0.00 175.30 175.47 2dm8 s LEU 97 N -0.35 1.53 -0.40 -0.88 1.02 -0.82 -0.18 118.68 118.61 2dm8 s LEU 97 Ca 0.05 -0.41 -0.13 0.00 0.02 0.00 0.00 54.13 53.67 2dm8 s LEU 97 Cb -0.12 0.81 0.03 0.00 0.02 0.00 0.00 46.19 46.93 2dm8 s LEU 97 CO 0.02 -0.52 0.26 -0.69 0.02 0.00 0.00 176.35 175.44 2dm8 s VAL 98 N -2.47 4.86 0.10 -1.59 1.01 -0.99 -0.92 120.40 120.39 2dm8 s VAL 98 Ca -0.06 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2dm8 s VAL 98 Cb -0.02 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2dm8 s VAL 98 CO -0.04 -0.31 0.12 0.68 0.00 0.00 0.00 175.10 175.55 2dm8 s VAL 99 N 1.60 4.70 -0.11 2.92 -7.23 -0.81 -2.07 120.40 119.40 2dm8 s VAL 99 Ca 0.03 -0.76 -0.05 0.00 -1.81 0.00 0.00 61.98 59.39 2dm8 s VAL 99 Cb -0.20 -3.30 0.05 0.00 0.56 0.00 0.00 36.38 33.49 2dm8 s VAL 99 CO 0.08 0.07 0.23 -0.47 -0.31 0.00 0.00 175.10 174.70 2dm8 s TYR 100 N -1.49 -0.32 0.53 2.82 6.14 -1.12 -2.20 117.35 121.71 2dm8 s TYR 100 Ca 0.31 0.79 0.08 0.00 0.64 0.00 0.00 57.07 58.88 2dm8 s TYR 100 Cb -0.12 -0.04 0.05 0.00 0.42 0.00 0.00 41.96 42.27 2dm8 s TYR 100 CO 0.23 -0.27 0.57 1.03 0.64 0.00 0.00 175.55 177.75 2dm8 s ARG 101 N 1.76 2.36 -0.08 4.97 0.52 -1.26 -3.49 118.95 123.72 2dm8 s ARG 101 Ca -0.04 -1.74 0.05 0.00 -0.52 0.00 0.00 55.73 53.47 2dm8 s ARG 101 Cb -0.11 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 2dm8 s ARG 101 CO -0.08 -0.63 -0.23 0.16 0.02 0.00 0.00 175.30 174.54 2dm8 s ASP 102 N -4.42 2.97 -0.06 0.23 -4.77 -1.26 -2.89 116.67 106.47 2dm8 s ASP 102 Ca 0.49 -0.52 0.10 0.00 -3.30 0.00 0.00 52.55 49.32 2dm8 s ASP 102 Cb -0.04 -1.15 -0.15 0.00 -1.09 0.00 0.00 42.92 40.49 2dm8 s ASP 102 CO 0.30 0.18 0.13 -1.84 0.70 0.00 0.00 175.17 174.64 2dm8 n GLU 103 N 3.32 1.40 -1.68 2.11 -0.00 -1.26 -4.73 120.64 119.81 2dm8 n GLU 103 Ca -0.19 -0.05 -0.47 0.00 -0.00 0.00 0.00 57.16 56.46 2dm8 n GLU 103 Cb 0.53 -1.26 -0.04 0.00 -0.00 0.00 0.00 31.44 30.66 2dm8 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dm8 n ALA 104 N -2.14 1.07 -4.13 -1.84 0.00 -1.26 -1.63 120.51 110.58 2dm8 n ALA 104 Ca -0.10 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 2dm8 n ALA 104 Cb 0.58 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2dm8 n ALA 104 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dm8 n HIS 105 N 6.63 -1.63 -0.05 0.00 8.25 -1.26 -4.84 115.22 122.31 2dm8 n HIS 105 Ca 0.22 0.71 -0.15 0.00 -0.26 0.00 0.00 57.72 58.24 2dm8 n HIS 105 Cb 0.32 -2.63 -0.13 0.00 1.12 0.00 0.00 29.99 28.67 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 -1.24 0.07 -2.74 4.41 3.20 -1.60 -3.42 116.97 115.66 2dm8 h TYR 106 Ca -0.55 -0.05 -0.60 0.00 3.14 0.00 0.00 58.73 60.67 2dm8 h TYR 106 Cb 1.36 -0.00 -0.40 0.00 1.54 0.00 0.00 36.73 39.23 2dm8 h TYR 106 CO 0.67 1.02 -0.80 0.50 -1.64 0.00 0.00 178.16 177.91 2dm8 s ARG 107 N -2.33 1.20 0.67 1.82 3.52 -1.26 -5.11 118.95 117.46 2dm8 s ARG 107 Ca -0.18 -2.09 -0.05 0.00 -0.13 0.00 0.00 55.73 53.27 2dm8 s ARG 107 Cb -0.02 -2.02 0.05 0.00 -1.56 0.00 0.00 34.95 31.40 2dm8 s ARG 107 CO 0.71 -1.25 0.97 0.16 -0.81 0.00 0.00 175.30 175.08 2dm8 s ASP 108 N 0.15 4.94 -0.10 -2.12 1.47 -1.26 -5.00 116.67 114.75 2dm8 s ASP 108 Ca 0.23 0.41 -0.29 0.00 1.18 0.00 0.00 52.55 54.08 2dm8 s ASP 108 Cb -0.13 -1.12 -0.04 0.00 -0.34 0.00 0.00 42.92 41.28 2dm8 s ASP 108 CO -0.08 -1.49 1.56 -0.70 0.68 0.00 0.00 175.17 175.14 2dm8 s GLU 109 N -5.16 4.15 -0.25 2.11 2.12 -1.26 -4.97 118.70 115.45 2dm8 s GLU 109 Ca 0.59 2.00 -0.27 0.00 0.36 0.00 0.00 54.97 57.66 2dm8 s GLU 109 Cb -0.11 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.35 2dm8 s GLU 109 CO 0.44 -0.86 0.95 -1.21 -0.54 0.00 0.00 175.26 174.04 2dm8 s GLU 110 N 3.98 4.19 0.22 4.30 2.02 -1.26 -4.99 118.70 127.16 2dm8 s GLU 110 Ca 0.69 1.13 -0.32 0.00 0.02 0.00 0.00 54.97 56.49 2dm8 s GLU 110 Cb -0.30 -3.66 -0.14 0.00 0.10 0.00 0.00 34.13 30.13 2dm8 s GLU 110 CO 0.26 -0.62 1.32 0.43 0.02 0.00 0.00 175.26 176.67 2dm8 n SER 111 N 6.26 2.27 -4.02 -0.19 7.64 -1.26 -4.99 113.62 119.32 2dm8 n SER 111 Ca 0.09 1.14 -0.14 0.00 1.01 0.00 0.00 58.87 60.98 2dm8 n SER 111 Cb 0.47 -1.35 -0.12 0.00 -1.01 0.00 0.00 64.21 62.19 2dm8 n SER 111 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm8 s GLY 112 N 0.19 0.40 -0.88 0.23 0.00 -1.26 -5.08 107.32 100.92 2dm8 s GLY 112 Ca 0.70 -0.57 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 2dm8 s GLY 112 CO 0.50 -0.60 1.94 2.56 0.00 0.00 0.00 173.10 177.50 2dm8 s PRO 113 N -1.09 2.56 -0.77 2.90 0.04 -1.26 -4.90 135.00 132.48 2dm8 s PRO 113 Ca -0.07 -0.21 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 2dm8 s PRO 113 Cb -0.07 -5.00 -0.08 0.00 0.04 0.00 0.00 34.50 29.39 2dm8 s PRO 113 CO 0.00 -3.32 2.16 -1.54 0.04 0.00 0.00 177.00 174.35 2dm8 s SER 114 N 8.03 4.62 0.29 6.66 1.04 -1.26 -4.81 113.70 128.27 2dm8 s SER 114 Ca 0.70 -0.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.05 2dm8 s SER 114 Cb -0.07 -2.54 0.59 0.00 0.10 0.00 0.00 66.02 64.10 2dm8 s SER 114 CO 0.01 -3.12 1.57 0.28 0.98 0.00 0.00 173.24 172.96 2dm8 h SER 115 N 13.42 -0.71 0.00 7.02 0.02 -2.08 -3.58 113.55 127.65 2dm8 h SER 115 Ca -0.03 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2dm8 h SER 115 Cb 1.06 0.55 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2dm8 h SER 115 CO 1.13 -0.34 0.00 0.61 -1.14 0.00 0.00 176.83 177.09