#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 6.22 -0.07 1.61 0.15 -1.26 -4.88 113.70 115.46 2dm8 s SER 2 Ca 0.00 -0.87 -0.09 0.00 0.70 0.00 0.00 55.95 55.69 2dm8 s SER 2 Cb 0.00 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.77 2dm8 s SER 2 CO 0.00 -1.58 0.34 0.28 1.20 0.00 0.00 173.24 173.48 2dm8 h SER 3 N 9.72 -0.19 -2.38 5.45 0.02 -2.12 -3.43 113.55 120.62 2dm8 h SER 3 Ca -0.23 -0.06 -0.56 0.00 -0.84 0.00 0.00 61.79 60.10 2dm8 h SER 3 Cb 1.06 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dm8 h SER 3 CO 1.23 0.31 1.29 -0.83 -1.14 0.00 0.00 176.83 177.69 2dm8 s GLY 4 N -3.32 1.05 -0.57 -3.77 0.00 -1.26 -4.94 107.32 94.50 2dm8 s GLY 4 Ca -0.05 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2dm8 s GLY 4 CO 0.16 3.42 0.35 -0.56 0.00 0.00 0.00 173.10 176.47 2dm8 s SER 5 N 5.68 4.85 -0.01 1.64 0.01 -1.26 -5.07 113.70 119.54 2dm8 s SER 5 Ca 0.87 -2.89 0.06 0.00 1.31 0.00 0.00 55.95 55.30 2dm8 s SER 5 Cb -0.33 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2dm8 s SER 5 CO 0.35 -0.32 -0.20 -0.94 0.41 0.00 0.00 173.24 172.55 2dm8 s SER 6 N 0.31 3.61 0.00 2.44 1.04 -1.26 -4.90 113.70 114.94 2dm8 s SER 6 Ca 0.17 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2dm8 s SER 6 Cb -0.22 -0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.31 2dm8 s SER 6 CO -0.02 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2dm8 n GLY 7 N 2.08 0.09 0.17 7.32 0.00 -1.26 -4.90 105.19 108.69 2dm8 n GLY 7 Ca -0.16 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.01 1.61 0.13 -1.90 -3.19 132.00 128.65 2dm8 h PRO 8 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.78 2dm8 h PRO 8 Cb 0.08 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.16 2dm8 h PRO 8 CO 0.00 0.47 -1.94 0.00 -0.23 0.00 0.00 178.00 176.30 2dm8 n ALA 9 N -2.43 1.01 -0.35 -0.56 0.00 -1.26 -4.43 120.51 112.48 2dm8 n ALA 9 Ca -0.01 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.72 2dm8 n ALA 9 Cb 0.50 -0.23 0.20 0.00 0.00 0.00 0.00 19.45 19.91 2dm8 n ALA 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2dm8 h THR 10 N -0.90 0.01 -3.55 0.00 1.35 -1.94 -3.38 112.91 104.49 2dm8 h THR 10 Ca -0.53 -0.00 -0.52 0.00 -0.55 0.00 0.00 66.41 64.81 2dm8 h THR 10 Cb 1.51 0.01 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 2dm8 h THR 10 CO -0.29 0.00 0.06 0.00 -0.25 0.00 0.00 175.52 175.04 2dm8 s PRO 12 N -2.22 -0.47 -0.67 0.00 0.04 -1.26 -4.90 135.00 125.52 2dm8 s PRO 12 Ca 0.45 0.20 -0.27 0.00 0.04 0.00 0.00 61.00 61.42 2dm8 s PRO 12 Cb -0.15 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2dm8 s PRO 12 CO 0.20 -3.27 1.21 0.42 0.04 0.00 0.00 177.00 175.60 2dm8 s ILE 13 N -2.99 3.90 -0.07 0.56 1.01 -1.26 -4.99 121.20 117.35 2dm8 s ILE 13 Ca 0.68 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 61.57 2dm8 s ILE 13 Cb -0.14 -4.82 -0.03 0.00 0.01 0.00 0.00 42.46 37.48 2dm8 s ILE 13 CO 0.57 -1.61 1.21 0.54 0.00 0.00 0.00 174.94 175.65 2dm8 s VAL 14 N 5.27 4.26 0.64 2.92 0.11 -1.26 -5.01 120.40 127.32 2dm8 s VAL 14 Ca 0.37 1.58 -0.16 0.00 -2.93 0.00 0.00 61.98 60.84 2dm8 s VAL 14 Cb -0.09 -4.01 -0.01 0.00 -1.53 0.00 0.00 36.38 30.74 2dm8 s VAL 14 CO 0.19 -0.02 1.11 -2.16 -3.33 0.00 0.00 175.10 170.89 2dm8 s PRO 15 N 2.42 2.89 0.00 1.54 0.04 -1.26 -3.48 135.00 137.15 2dm8 s PRO 15 Ca 0.56 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2dm8 s PRO 15 Cb -0.24 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dm8 s PRO 15 CO 0.21 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2dm8 n GLY 16 N -0.42 0.93 3.54 0.56 0.00 -0.45 -4.83 105.19 104.51 2dm8 n GLY 16 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 3.77 0.04 1.61 -0.21 -1.23 -4.90 119.66 118.75 2dm8 s GLN 17 Ca 0.00 -0.43 -0.32 0.00 0.02 0.00 0.00 55.36 54.63 2dm8 s GLN 17 Cb 0.00 -3.59 -0.11 0.00 1.00 0.00 0.00 33.01 30.31 2dm8 s GLN 17 CO 0.00 -0.24 1.86 0.39 -2.12 0.00 0.00 175.29 175.19 2dm8 n GLU 18 N 5.03 2.58 -4.53 2.91 1.02 -1.26 -4.61 120.64 121.77 2dm8 n GLU 18 Ca -0.14 0.94 -0.27 0.00 -0.02 0.00 0.00 57.16 57.67 2dm8 n GLU 18 Cb 0.51 -2.83 -0.10 0.00 -0.02 0.00 0.00 31.44 29.00 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 3.41 1.97 0.16 3.49 0.23 -1.05 -5.01 119.30 122.49 2dm8 s MET 19 Ca 0.87 -2.02 0.10 0.00 -1.03 0.00 0.00 55.69 53.60 2dm8 s MET 19 Cb -0.55 -1.71 -0.04 0.00 -1.53 0.00 0.00 34.83 31.00 2dm8 s MET 19 CO 0.43 -0.00 -0.18 0.42 -2.03 0.00 0.00 175.02 173.65 2dm8 s ILE 20 N -2.66 2.74 -0.04 3.16 1.09 -1.26 -1.65 121.20 122.57 2dm8 s ILE 20 Ca 0.35 -1.73 0.01 0.00 -1.10 0.00 0.00 60.65 58.18 2dm8 s ILE 20 Cb 0.07 -2.30 0.02 0.00 -1.06 0.00 0.00 42.46 39.19 2dm8 s ILE 20 CO 0.18 -0.03 -0.05 0.27 -0.10 0.00 0.00 174.94 175.22 2dm8 s ILE 21 N -1.45 0.55 -0.16 2.92 -4.36 0.69 -4.49 121.20 114.89 2dm8 s ILE 21 Ca 0.20 -0.14 0.02 0.00 -0.26 0.00 0.00 60.65 60.47 2dm8 s ILE 21 Cb -0.09 -0.56 0.02 0.00 1.25 0.00 0.00 42.46 43.07 2dm8 s ILE 21 CO 0.11 0.22 -0.21 -0.70 0.24 0.00 0.00 174.94 174.60 2dm8 s GLU 22 N 0.82 3.00 -0.13 0.37 2.12 -1.26 -1.05 118.70 122.56 2dm8 s GLU 22 Ca -0.11 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.40 2dm8 s GLU 22 Cb -0.14 -2.50 0.01 0.00 0.26 0.00 0.00 34.13 31.76 2dm8 s GLU 22 CO 0.00 -0.12 -0.20 0.42 -0.54 0.00 0.00 175.26 174.83 2dm8 s ILE 23 N 1.07 1.90 -0.66 -3.70 1.01 0.02 -4.78 121.20 116.06 2dm8 s ILE 23 Ca -0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.53 2dm8 s ILE 23 Cb -0.14 -1.69 0.06 0.00 0.01 0.00 0.00 42.46 40.70 2dm8 s ILE 23 CO -0.08 0.52 1.01 -0.55 0.00 0.00 0.00 174.94 175.84 2dm8 s SER 24 N 0.86 6.19 -0.48 3.58 0.15 -1.26 -0.18 113.70 122.56 2dm8 s SER 24 Ca -0.07 -0.84 -0.43 0.00 0.70 0.00 0.00 55.95 55.30 2dm8 s SER 24 Cb -0.15 -2.44 -0.19 0.00 -1.71 0.00 0.00 66.02 61.53 2dm8 s SER 24 CO -0.02 -1.48 1.80 0.29 1.20 0.00 0.00 173.24 175.03 2dm8 n LYS 25 N 7.92 0.00 -1.86 5.44 5.02 0.18 -4.76 118.16 130.10 2dm8 n LYS 25 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2dm8 n LYS 25 Cb 0.46 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 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 5.56 3.66 3.51 0.72 0.00 -1.26 -4.36 105.19 113.01 2dm8 n GLY 26 Ca 0.42 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 2dm8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm8 n ARG 27 N 6.80 -4.09 -3.76 1.61 1.74 -1.26 -4.91 116.66 112.79 2dm8 n ARG 27 Ca 0.51 0.56 -0.05 0.00 -0.77 0.00 0.00 57.85 58.10 2dm8 n ARG 27 Cb 0.41 -5.33 -0.02 0.00 -1.02 0.00 0.00 32.46 26.50 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2dm8 s SER 28 N -2.89 -0.21 -0.01 0.55 0.15 -1.26 -5.16 113.70 104.86 2dm8 s SER 28 Ca 0.48 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 2dm8 s SER 28 Cb -0.24 0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 2dm8 s SER 28 CO 0.59 -1.00 0.39 -0.83 1.20 0.00 0.00 173.24 173.58 2dm8 s GLY 29 N -2.92 2.45 0.64 9.45 0.00 -1.26 -4.75 107.32 110.94 2dm8 s GLY 29 Ca 0.11 -0.25 -0.17 0.00 0.00 0.00 0.00 44.72 44.41 2dm8 s GLY 29 CO 0.03 0.11 0.32 1.04 0.00 0.00 0.00 173.10 174.59 2dm8 n LEU 30 N 1.85 -0.49 -3.18 0.66 4.77 -1.26 -4.46 117.00 114.89 2dm8 n LEU 30 Ca -0.14 0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 56.23 2dm8 n LEU 30 Cb 0.53 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 2dm8 n LEU 30 CO 0.37 -3.60 -0.06 0.61 -1.33 0.00 0.00 177.39 173.38 2dm8 n GLY 31 N 1.98 4.30 3.41 -0.72 0.00 -1.26 -4.83 105.19 108.07 2dm8 n GLY 31 Ca 0.09 -2.25 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.44 2.43 0.05 0.99 0.05 -1.26 0.59 118.68 119.09 2dm8 s LEU 32 Ca 0.41 -1.19 0.04 0.00 0.05 0.00 0.00 54.13 53.44 2dm8 s LEU 32 Cb 0.24 -0.56 -0.02 0.00 -2.05 0.00 0.00 46.19 43.79 2dm8 s LEU 32 CO -0.08 -0.37 -0.12 -0.55 -0.55 0.00 0.00 176.35 174.67 2dm8 s SER 33 N -3.41 1.44 0.45 1.48 0.15 0.20 -4.90 113.70 109.11 2dm8 s SER 33 Ca 0.29 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2dm8 s SER 33 Cb 0.04 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 2dm8 s SER 33 CO 0.11 -0.05 0.05 0.27 1.20 0.00 0.00 173.24 174.82 2dm8 s ILE 34 N -1.04 1.11 0.23 6.45 -4.36 -1.26 -1.53 121.20 120.79 2dm8 s ILE 34 Ca -0.02 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.30 2dm8 s ILE 34 Cb -0.09 -2.39 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 2dm8 s ILE 34 CO 0.01 0.00 0.32 0.68 0.24 0.00 0.00 174.94 176.20 2dm8 s VAL 35 N -3.00 0.00 0.00 8.37 -7.23 0.19 -4.55 120.40 114.19 2dm8 s VAL 35 Ca 0.18 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2dm8 s VAL 35 Cb 0.04 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2dm8 s VAL 35 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 2dm8 n GLY 36 N -0.34 0.08 0.00 2.32 0.00 -1.26 -2.58 105.19 103.41 2dm8 n GLY 36 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.62 0.55 -0.02 0.00 -1.26 -3.83 105.19 101.26 2dm8 n GLY 37 Ca 0.00 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 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 0.29 -1.39 1.61 5.02 -1.26 -4.10 118.16 118.33 2dm8 n LYS 38 Ca 0.00 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 2dm8 n LYS 38 Cb 0.00 -1.00 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 2dm8 n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dm8 n ASP 39 N -3.81 6.88 -4.40 4.39 8.00 -1.26 -4.78 116.55 121.57 2dm8 n ASP 39 Ca -0.19 -3.38 -0.24 0.00 0.71 0.00 0.00 54.79 51.69 2dm8 n ASP 39 Cb 0.51 -1.12 -0.11 0.00 -0.02 0.00 0.00 41.12 40.38 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 -3.21 2.17 -1.22 -3.53 -4.23 -1.26 -5.02 115.64 99.35 2dm8 s THR 40 Ca 0.52 -2.10 0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2dm8 s THR 40 Cb 0.38 -2.07 0.19 0.00 1.34 0.00 0.00 72.50 72.33 2dm8 s THR 40 CO -0.17 -0.28 1.43 -0.81 -0.54 0.00 0.00 174.62 174.25 2dm8 n PRO 41 N 0.03 0.10 -0.01 3.99 -0.04 -1.26 -2.49 135.00 135.32 2dm8 n PRO 41 Ca -0.11 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 2dm8 n PRO 41 Cb 0.58 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.47 2dm8 n PRO 41 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2dm8 n LEU 42 N -1.39 0.00 -2.99 1.53 -0.00 -1.26 -4.98 117.00 107.90 2dm8 n LEU 42 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 2dm8 n LEU 42 Cb 0.14 0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.58 2dm8 n LEU 42 CO 0.12 0.04 -0.04 -3.20 -0.00 0.00 0.00 177.39 174.31 2dm8 n ASN 43 N -1.91 -1.19 -3.78 1.45 2.85 -1.04 -4.86 115.26 106.78 2dm8 n ASN 43 Ca -0.04 0.01 -0.14 0.00 -0.11 0.00 0.00 54.58 54.30 2dm8 n ASN 43 Cb 0.34 -1.13 -0.15 0.00 1.24 0.00 0.00 39.78 40.09 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dm8 s ALA 44 N -2.28 -0.12 -1.08 5.20 0.00 -1.26 -4.69 121.76 117.54 2dm8 s ALA 44 Ca 0.23 0.43 -0.23 0.00 0.00 0.00 0.00 51.96 52.39 2dm8 s ALA 44 Cb -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2dm8 s ALA 44 CO 0.28 -0.11 1.82 0.42 0.00 0.00 0.00 175.76 178.17 2dm8 s ILE 45 N 0.86 3.67 0.03 0.00 -1.09 -1.25 -4.13 121.20 119.29 2dm8 s ILE 45 Ca -0.07 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.42 2dm8 s ILE 45 Cb -0.09 -4.56 -0.05 0.00 -1.58 0.00 0.00 42.46 36.18 2dm8 s ILE 45 CO -0.03 -1.30 0.29 -0.69 -1.23 0.00 0.00 174.94 171.97 2dm8 s VAL 46 N 8.58 5.27 -0.77 2.92 1.01 -1.07 -1.19 120.40 135.16 2dm8 s VAL 46 Ca 0.63 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.54 2dm8 s VAL 46 Cb -0.02 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2dm8 s VAL 46 CO 0.04 0.33 1.24 -0.63 0.00 0.00 0.00 175.10 176.08 2dm8 s ILE 47 N -1.33 3.88 0.02 2.22 1.01 -0.56 0.56 121.20 127.00 2dm8 s ILE 47 Ca 0.29 0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 2dm8 s ILE 47 Cb -0.13 -4.89 -0.07 0.00 0.01 0.00 0.00 42.46 37.38 2dm8 s ILE 47 CO 0.17 -1.79 1.09 -0.74 0.00 0.00 0.00 174.94 173.67 2dm8 h HIS 48 N 9.88 -0.41 -3.97 3.97 -0.00 -1.52 0.29 115.15 123.40 2dm8 h HIS 48 Ca -0.21 -0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 59.81 2dm8 h HIS 48 Cb 1.05 0.14 -0.23 0.00 -0.00 0.00 0.00 27.41 28.37 2dm8 h HIS 48 CO 1.12 -0.26 -0.76 -2.00 -0.00 0.00 0.00 177.93 176.04 2dm8 s GLU 49 N -3.80 0.65 -0.30 5.26 2.56 -1.23 -4.55 118.70 117.29 2dm8 s GLU 49 Ca -0.07 -0.71 0.02 0.00 0.00 0.00 0.00 54.97 54.21 2dm8 s GLU 49 Cb 0.01 -0.54 0.09 0.00 2.00 0.00 0.00 34.13 35.69 2dm8 s GLU 49 CO 0.20 0.12 0.02 0.08 -0.56 0.00 0.00 175.26 175.12 2dm8 s VAL 50 N -1.08 1.74 0.91 3.70 1.01 -1.26 0.59 120.40 126.03 2dm8 s VAL 50 Ca -0.05 -1.78 -0.11 0.00 0.00 0.00 0.00 61.98 60.04 2dm8 s VAL 50 Cb -0.08 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.22 2dm8 s VAL 50 CO 0.01 -0.45 0.92 -1.22 0.00 0.00 0.00 175.10 174.36 2dm8 n TYR 51 N 4.51 0.17 0.07 5.22 4.01 0.20 -4.90 117.16 126.44 2dm8 n TYR 51 Ca -0.03 0.35 -0.23 0.00 -0.16 0.00 0.00 57.90 57.83 2dm8 n TYR 51 Cb 0.43 -1.94 -0.15 0.00 -0.31 0.00 0.00 39.34 37.36 2dm8 n TYR 51 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2dm8 h GLU 52 N -1.68 0.38 0.00 -0.72 -0.00 -1.99 -3.28 114.58 107.28 2dm8 h GLU 52 Ca -0.43 -0.64 0.00 0.00 -0.00 0.00 0.00 59.36 58.28 2dm8 h GLU 52 Cb 1.28 0.24 0.00 0.00 -0.00 0.00 0.00 28.75 30.27 2dm8 h GLU 52 CO 0.39 1.31 0.10 -0.85 -0.00 0.00 0.00 179.01 179.96 2dm8 n GLU 53 N -3.79 0.08 -3.28 1.06 0.00 -1.26 -4.32 120.64 109.13 2dm8 n GLU 53 Ca -0.22 0.56 -0.35 0.00 0.00 0.00 0.00 57.16 57.15 2dm8 n GLU 53 Cb 1.00 -1.88 -0.06 0.00 0.00 0.00 0.00 31.44 30.51 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2dm8 s GLY 54 N -3.23 2.46 0.52 -1.84 0.00 -1.24 -4.73 107.32 99.26 2dm8 s GLY 54 Ca -0.01 -0.06 0.26 0.00 0.00 0.00 0.00 44.72 44.91 2dm8 s GLY 54 CO 0.12 0.21 1.94 0.00 0.00 0.00 0.00 173.10 175.37 2dm8 h ALA 55 N 3.28 2.58 -0.02 3.20 0.00 -1.81 0.19 119.26 126.69 2dm8 h ALA 55 Ca -0.48 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2dm8 h ALA 55 Cb 1.19 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2dm8 h ALA 55 CO 0.66 -0.79 0.20 0.00 0.00 0.00 0.00 179.25 179.33 2dm8 h ALA 56 N 1.65 1.26 0.00 0.00 0.00 -1.89 -2.04 119.26 118.24 2dm8 h ALA 56 Ca 0.34 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 2dm8 h ALA 56 Cb 1.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2dm8 h ALA 56 CO -0.02 -0.21 -1.14 0.00 0.00 0.00 0.00 179.25 177.87 2dm8 n ALA 57 N -2.00 0.72 -0.34 0.00 0.00 0.67 -3.02 120.51 116.55 2dm8 n ALA 57 Ca -0.02 -0.55 0.21 0.00 0.00 0.00 0.00 53.44 53.08 2dm8 n ALA 57 Cb 0.26 -0.27 0.44 0.00 0.00 0.00 0.00 19.45 19.89 2dm8 n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm8 h ARG 58 N -1.00 0.45 0.01 0.00 -0.00 -1.43 -0.70 114.38 111.71 2dm8 h ARG 58 Ca -0.26 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.98 59.14 2dm8 h ARG 58 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 30.94 2dm8 h ARG 58 CO -0.15 0.30 -0.22 0.22 0.00 0.00 0.00 179.97 180.11 2dm8 h ASP 59 N 0.46 0.18 0.00 7.04 1.82 -1.57 -3.48 116.42 120.87 2dm8 h ASP 59 Ca 0.67 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2dm8 h ASP 59 Cb 1.45 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.40 2dm8 h ASP 59 CO -0.47 0.98 0.00 0.61 -1.61 0.00 0.00 179.24 178.75 2dm8 n GLY 60 N 1.18 0.49 0.11 -0.78 0.00 -0.27 -4.99 105.19 100.93 2dm8 n GLY 60 Ca -0.10 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.02 0.55 -2.70 1.61 5.12 -1.26 -4.88 116.66 114.09 2dm8 n ARG 61 Ca 0.00 0.42 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 2dm8 n ARG 61 Cb 0.46 -1.61 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 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 -7.82 4.08 -0.08 0.55 1.43 -1.26 -4.98 118.68 110.59 2dm8 s LEU 62 Ca -0.30 1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 54.07 2dm8 s LEU 62 Cb 0.08 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2dm8 s LEU 62 CO 0.47 -0.67 -0.05 0.26 0.23 0.00 0.00 176.35 176.60 2dm8 s TRP 63 N 3.18 3.01 -0.42 0.29 0.51 -1.26 -4.88 118.94 119.37 2dm8 s TRP 63 Ca 0.42 0.05 -0.34 0.00 -2.12 0.00 0.00 56.10 54.12 2dm8 s TRP 63 Cb -0.15 -1.75 -0.12 0.00 -0.81 0.00 0.00 33.47 30.64 2dm8 s TRP 63 CO 0.07 0.35 2.26 0.00 -0.51 0.00 0.00 176.95 179.12 2dm8 n ALA 64 N 2.28 0.97 0.00 0.98 0.00 -1.26 -1.66 120.51 121.81 2dm8 n ALA 64 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2dm8 n ALA 64 Cb 0.53 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2dm8 n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm8 n GLY 65 N 6.51 0.35 3.85 0.00 0.00 0.10 -4.98 105.19 111.03 2dm8 n GLY 65 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.36 6.09 -0.20 1.61 2.15 -0.67 -4.74 116.67 120.55 2dm8 s ASP 66 Ca 0.00 1.53 -0.03 0.00 0.43 0.00 0.00 52.55 54.48 2dm8 s ASP 66 Cb 0.00 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 40.12 2dm8 s ASP 66 CO 0.00 -0.96 -0.07 -1.10 -0.17 0.00 0.00 175.17 172.87 2dm8 s GLN 67 N -4.80 3.34 0.18 4.34 -0.21 -1.24 -1.49 119.66 119.77 2dm8 s GLN 67 Ca 0.57 -0.65 -0.06 0.00 0.02 0.00 0.00 55.36 55.25 2dm8 s GLN 67 Cb -0.12 -2.92 -0.06 0.00 1.00 0.00 0.00 33.01 30.91 2dm8 s GLN 67 CO 0.48 -0.14 0.43 0.42 -2.12 0.00 0.00 175.29 174.36 2dm8 s ILE 68 N 1.31 5.10 0.00 1.08 1.01 -0.34 -0.50 121.20 128.86 2dm8 s ILE 68 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2dm8 s ILE 68 Cb -0.14 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2dm8 s ILE 68 CO -0.03 -0.03 0.00 0.18 0.00 0.00 0.00 174.94 175.06 2dm8 n LEU 69 N -0.10 0.84 -3.77 2.97 4.77 -0.46 -4.36 117.00 116.88 2dm8 n LEU 69 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2dm8 n LEU 69 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2dm8 n LEU 69 CO 0.48 0.14 -0.02 -0.70 -1.33 0.00 0.00 177.39 175.96 2dm8 s GLU 70 N -1.59 0.54 -0.03 3.23 2.12 -1.25 -0.60 118.70 121.12 2dm8 s GLU 70 Ca 0.00 0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2dm8 s GLU 70 Cb 0.00 0.24 0.03 0.00 0.26 0.00 0.00 34.13 34.66 2dm8 s GLU 70 CO 0.00 -0.13 -0.00 0.54 -0.54 0.00 0.00 175.26 175.13 2dm8 s VAL 71 N -0.80 0.21 -1.76 3.70 0.11 -0.09 -1.07 120.40 120.70 2dm8 s VAL 71 Ca -0.09 0.07 -0.19 0.00 -2.93 0.00 0.00 61.98 58.85 2dm8 s VAL 71 Cb -0.04 -0.30 0.17 0.00 -1.53 0.00 0.00 36.38 34.68 2dm8 s VAL 71 CO 0.03 0.16 0.63 -3.20 -3.33 0.00 0.00 175.10 169.38 2dm8 n ASN 72 N 4.18 -2.18 -0.89 3.54 2.85 0.10 0.13 115.26 122.99 2dm8 n ASN 72 Ca -0.25 -1.14 -0.08 0.00 -0.11 0.00 0.00 54.58 53.00 2dm8 n ASN 72 Cb 0.50 -2.17 -0.00 0.00 1.24 0.00 0.00 39.78 39.35 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 -1.37 0.08 2.74 8.20 0.00 -1.26 -5.02 105.19 108.55 2dm8 n GLY 73 Ca 0.04 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.41 0.72 0.10 1.61 1.01 0.34 -5.11 120.40 116.67 2dm8 s VAL 74 Ca 0.01 -0.98 -0.34 0.00 0.00 0.00 0.00 61.98 60.66 2dm8 s VAL 74 Cb -0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 36.38 34.88 2dm8 s VAL 74 CO 0.01 -0.43 1.61 -0.67 0.00 0.00 0.00 175.10 175.62 2dm8 n ASP 75 N 4.95 3.01 -0.02 3.32 2.03 -1.26 -0.92 116.55 127.65 2dm8 n ASP 75 Ca -0.06 1.07 0.06 0.00 0.52 0.00 0.00 54.79 56.37 2dm8 n ASP 75 Cb 0.44 -1.39 -0.14 0.00 -0.72 0.00 0.00 41.12 39.31 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 3.91 0.00 -0.54 -2.67 4.77 0.23 -4.06 117.00 118.64 2dm8 n LEU 76 Ca 0.18 0.00 0.44 0.00 -0.03 0.00 0.00 56.01 56.60 2dm8 n LEU 76 Cb 0.28 0.09 0.75 0.00 -2.33 0.00 0.00 43.42 42.20 2dm8 n LEU 76 CO 0.65 0.09 1.37 0.03 -1.33 0.00 0.00 177.39 178.20 2dm8 h ARG 77 N 0.00 0.04 0.00 3.23 3.08 -1.80 -0.99 114.38 117.94 2dm8 h ARG 77 Ca -0.10 -0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.54 2dm8 h ARG 77 Cb 1.11 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.08 2dm8 h ARG 77 CO 0.01 0.02 -2.43 0.09 -1.07 0.00 0.00 179.97 176.58 2dm8 n ASN 78 N -4.25 1.97 -4.46 7.04 4.13 -1.26 -4.90 115.26 113.53 2dm8 n ASN 78 Ca 0.38 0.10 -0.45 0.00 1.68 0.00 0.00 54.58 56.29 2dm8 n ASN 78 Cb 1.65 -0.59 -0.02 0.00 -1.54 0.00 0.00 39.78 39.29 2dm8 n ASN 78 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2dm8 n SER 79 N -3.71 -0.59 -3.79 6.41 7.64 -0.38 -4.54 113.62 114.66 2dm8 n SER 79 Ca -0.48 1.07 -0.26 0.00 1.01 0.00 0.00 58.87 60.21 2dm8 n SER 79 Cb 0.91 -1.07 0.18 0.00 -1.01 0.00 0.00 64.21 63.22 2dm8 n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dm8 n SER 80 N 1.66 0.22 0.00 6.43 2.88 -1.26 -4.31 113.62 119.24 2dm8 n SER 80 Ca 0.14 -1.50 -0.00 0.00 -1.33 0.00 0.00 58.87 56.17 2dm8 n SER 80 Cb 0.31 -0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2dm8 n SER 80 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2dm8 h HIS 81 N -1.57 -0.01 -0.60 0.66 2.76 -1.89 -0.43 115.15 114.06 2dm8 h HIS 81 Ca -0.38 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 57.89 2dm8 h HIS 81 Cb 1.08 0.01 -0.11 0.00 1.55 0.00 0.00 27.41 29.93 2dm8 h HIS 81 CO 0.00 -0.01 -0.40 0.93 -1.30 0.00 0.00 177.93 177.16 2dm8 h GLU 82 N -0.01 -0.19 -0.57 5.26 5.08 -1.95 -1.35 114.58 120.86 2dm8 h GLU 82 Ca 0.00 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 2dm8 h GLU 82 Cb 0.01 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.20 2dm8 h GLU 82 CO -0.00 -0.13 -0.52 0.93 -1.00 0.00 0.00 179.01 178.29 2dm8 h GLU 83 N -0.19 -0.26 -0.90 2.33 5.08 -1.87 0.21 114.58 118.97 2dm8 h GLU 83 Ca 0.20 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.80 2dm8 h GLU 83 Cb 0.56 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2dm8 h GLU 83 CO -0.70 -0.17 0.41 0.00 -1.00 0.00 0.00 179.01 177.55 2dm8 h ALA 84 N 0.30 1.45 -0.09 3.43 0.00 0.02 0.15 119.26 124.52 2dm8 h ALA 84 Ca 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dm8 h ALA 84 Cb 0.56 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dm8 h ALA 84 CO -0.69 -0.33 0.05 0.82 0.00 0.00 0.00 179.25 179.10 2dm8 h ILE 85 N 0.42 1.09 -0.58 0.00 1.08 0.00 -2.82 117.51 116.70 2dm8 h ILE 85 Ca 0.56 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.76 2dm8 h ILE 85 Cb 1.06 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.87 2dm8 h ILE 85 CO -0.52 0.08 0.29 0.74 -0.69 0.00 0.00 178.15 178.05 2dm8 h THR 86 N 0.05 1.20 0.00 -0.27 2.02 0.42 -1.53 112.91 114.81 2dm8 h THR 86 Ca 0.03 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.65 2dm8 h THR 86 Cb 0.08 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2dm8 h THR 86 CO -0.01 0.23 0.07 0.00 0.37 0.00 0.00 175.52 176.18 2dm8 h ALA 87 N 1.12 1.05 0.00 6.16 0.00 -0.64 0.10 119.26 127.06 2dm8 h ALA 87 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 2dm8 h ALA 87 Cb 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2dm8 h ALA 87 CO -0.03 -0.05 -1.75 1.28 0.00 0.00 0.00 179.25 178.70 2dm8 n LEU 88 N -2.50 0.68 0.14 0.00 4.77 -0.61 -4.09 117.00 115.40 2dm8 n LEU 88 Ca -0.02 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 2dm8 n LEU 88 Cb 0.11 0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 2dm8 n LEU 88 CO 0.12 0.32 0.28 0.03 -1.33 0.00 0.00 177.39 176.81 2dm8 h ARG 89 N 0.00 0.00 -0.55 3.23 3.08 -0.56 -3.26 114.38 116.32 2dm8 h ARG 89 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2dm8 h ARG 89 Cb 1.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.94 2dm8 h ARG 89 CO 0.06 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 180.03 2dm8 n GLN 90 N -2.85 2.37 -3.21 0.04 6.02 0.07 -4.90 117.38 114.92 2dm8 n GLN 90 Ca 0.01 -1.52 -0.38 0.00 -0.01 0.00 0.00 57.00 55.10 2dm8 n GLN 90 Cb 0.57 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 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 -1.66 4.67 0.00 5.09 -4.23 -1.23 -5.05 115.64 113.23 2dm8 s THR 91 Ca 0.27 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 62.03 2dm8 s THR 91 Cb 0.17 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2dm8 s THR 91 CO 0.14 0.45 0.00 -0.81 -0.54 0.00 0.00 174.62 173.86 2dm8 n PRO 92 N 1.41 -1.01 -0.30 3.99 -0.04 -1.26 -4.87 135.00 132.91 2dm8 n PRO 92 Ca -0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.45 2dm8 n PRO 92 Cb 0.51 0.00 0.17 0.00 -0.04 0.00 0.00 33.50 34.14 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 0.04 -5.75 0.54 4.15 -1.95 -3.39 115.11 108.75 2dm8 h GLN 93 Ca 0.00 -0.00 -0.65 0.00 0.77 0.00 0.00 58.65 58.77 2dm8 h GLN 93 Cb 0.00 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.62 2dm8 h GLN 93 CO 0.00 0.03 -0.48 -1.59 -1.93 0.00 0.00 178.83 174.86 2dm8 s LYS 94 N -6.14 3.45 -0.20 1.69 -2.85 -1.26 0.49 119.74 114.91 2dm8 s LYS 94 Ca -0.14 -0.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.62 2dm8 s LYS 94 Cb 0.25 -3.13 0.03 0.00 -2.06 0.00 0.00 37.83 32.92 2dm8 s LYS 94 CO 0.76 0.72 -0.16 0.08 0.10 0.00 0.00 175.35 176.85 2dm8 s VAL 95 N -1.20 2.05 -0.22 1.79 1.01 0.75 -4.93 120.40 119.64 2dm8 s VAL 95 Ca 0.22 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2dm8 s VAL 95 Cb -0.12 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 2dm8 s VAL 95 CO 0.13 0.34 -0.05 -0.60 0.00 0.00 0.00 175.10 174.92 2dm8 s ARG 96 N 1.25 3.34 0.22 2.72 3.00 -1.26 -0.80 118.95 127.42 2dm8 s ARG 96 Ca 0.00 -0.65 0.03 0.00 -1.00 0.00 0.00 55.73 54.11 2dm8 s ARG 96 Cb -0.15 -2.99 -0.05 0.00 0.00 0.00 0.00 34.95 31.76 2dm8 s ARG 96 CO -0.10 -0.21 0.02 -0.51 0.00 0.00 0.00 175.30 174.50 2dm8 s LEU 97 N 1.47 2.08 -0.21 -0.88 1.02 -0.22 0.02 118.68 121.95 2dm8 s LEU 97 Ca 0.06 -1.24 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 2dm8 s LEU 97 Cb -0.14 -0.16 0.02 0.00 0.02 0.00 0.00 46.19 45.92 2dm8 s LEU 97 CO -0.04 -0.57 -0.12 -0.69 0.02 0.00 0.00 176.35 174.95 2dm8 s VAL 98 N -3.54 2.57 0.16 -1.59 1.01 -0.23 -0.22 120.40 118.56 2dm8 s VAL 98 Ca 0.29 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2dm8 s VAL 98 Cb 0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2dm8 s VAL 98 CO 0.08 0.37 0.09 0.68 0.00 0.00 0.00 175.10 176.32 2dm8 s VAL 99 N 1.32 4.24 -0.09 2.92 -7.23 -0.66 -1.36 120.40 119.54 2dm8 s VAL 99 Ca 0.03 -1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2dm8 s VAL 99 Cb -0.15 -3.14 0.03 0.00 0.56 0.00 0.00 36.38 33.68 2dm8 s VAL 99 CO -0.08 -0.09 -0.01 -0.47 -0.31 0.00 0.00 175.10 174.13 2dm8 s TYR 100 N -1.72 0.85 -0.61 2.82 5.04 0.34 -2.54 117.35 121.54 2dm8 s TYR 100 Ca 0.30 -0.32 0.04 0.00 -2.44 0.00 0.00 57.07 54.65 2dm8 s TYR 100 Cb -0.10 -0.90 0.15 0.00 0.35 0.00 0.00 41.96 41.46 2dm8 s TYR 100 CO 0.22 -0.38 0.39 0.50 -1.34 0.00 0.00 175.55 174.94 2dm8 s ARG 101 N 1.91 2.12 0.89 4.97 3.52 -1.26 -3.71 118.95 127.39 2dm8 s ARG 101 Ca 0.05 -2.94 -0.14 0.00 -0.13 0.00 0.00 55.73 52.56 2dm8 s ARG 101 Cb -0.13 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2dm8 s ARG 101 CO -0.06 -1.23 0.39 -3.47 -0.81 0.00 0.00 175.30 170.12 2dm8 n ASP 102 N 2.49 -1.99 -2.48 -2.12 -0.08 -1.26 -1.35 116.55 109.77 2dm8 n ASP 102 Ca 0.15 0.40 -0.29 0.00 -1.51 0.00 0.00 54.79 53.54 2dm8 n ASP 102 Cb 0.35 -1.19 0.01 0.00 2.34 0.00 0.00 41.12 42.63 2dm8 n ASP 102 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2dm8 n GLU 103 N -1.27 3.33 -4.53 -0.67 0.28 -1.26 -4.55 120.64 111.97 2dm8 n GLU 103 Ca 0.07 -4.28 -0.34 0.00 -0.16 0.00 0.00 57.16 52.45 2dm8 n GLU 103 Cb 0.53 -2.26 -0.11 0.00 1.43 0.00 0.00 31.44 31.03 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 -3.64 3.06 -1.60 -1.84 0.00 -1.26 -4.62 121.76 111.86 2dm8 s ALA 104 Ca 0.49 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 2dm8 s ALA 104 Cb 0.41 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 22.23 2dm8 s ALA 104 CO -0.19 0.52 0.10 0.72 0.00 0.00 0.00 175.76 176.91 2dm8 n HIS 105 N 2.40 -1.25 -0.05 0.00 8.25 -1.26 -4.84 115.22 118.46 2dm8 n HIS 105 Ca -0.18 0.62 -0.13 0.00 -0.26 0.00 0.00 57.72 57.78 2dm8 n HIS 105 Cb 0.53 -2.68 -0.11 0.00 1.12 0.00 0.00 29.99 28.85 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 -1.66 -0.01 -1.46 4.41 5.03 -1.94 -3.36 116.97 117.98 2dm8 h TYR 106 Ca -0.65 -0.00 -0.76 0.00 2.58 0.00 0.00 58.73 59.90 2dm8 h TYR 106 Cb 1.40 0.00 -0.16 0.00 1.55 0.00 0.00 36.73 39.52 2dm8 h TYR 106 CO 0.55 0.79 2.05 -2.13 -1.32 0.00 0.00 178.16 178.10 2dm8 n ARG 107 N -4.68 4.37 -1.51 1.82 0.63 -1.26 -5.00 116.66 111.03 2dm8 n ARG 107 Ca -0.09 -3.68 -0.44 0.00 -0.92 0.00 0.00 57.85 52.72 2dm8 n ARG 107 Cb 0.39 -2.70 -0.01 0.00 0.45 0.00 0.00 32.46 30.60 2dm8 n ARG 107 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2dm8 n ASP 108 N 2.18 0.08 -4.84 6.15 2.03 -1.26 -4.93 116.55 115.96 2dm8 n ASP 108 Ca 0.51 1.08 -0.32 0.00 0.52 0.00 0.00 54.79 56.58 2dm8 n ASP 108 Cb 0.29 -1.17 -0.02 0.00 -0.72 0.00 0.00 41.12 39.50 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 -1.47 3.79 -0.28 -0.67 -1.05 -1.26 -5.00 118.70 112.76 2dm8 s GLU 109 Ca 0.61 0.97 0.10 0.00 -0.15 0.00 0.00 54.97 56.51 2dm8 s GLU 109 Cb -0.71 -2.11 0.47 0.00 -0.44 0.00 0.00 34.13 31.34 2dm8 s GLU 109 CO 0.58 -0.40 1.17 -1.91 0.95 0.00 0.00 175.26 175.65 2dm8 n GLU 110 N -1.80 3.22 -4.49 -4.83 2.13 -1.26 -5.05 120.64 108.56 2dm8 n GLU 110 Ca 0.07 -4.03 -0.25 0.00 0.66 0.00 0.00 57.16 53.61 2dm8 n GLU 110 Cb 0.54 -2.14 -0.08 0.00 0.27 0.00 0.00 31.44 30.03 2dm8 n GLU 110 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2dm8 s SER 111 N -3.64 2.67 0.05 4.31 0.01 -1.26 -5.18 113.70 110.65 2dm8 s SER 111 Ca 0.46 -1.66 0.01 0.00 1.31 0.00 0.00 55.95 56.06 2dm8 s SER 111 Cb 0.39 0.48 -0.00 0.00 0.21 0.00 0.00 66.02 67.10 2dm8 s SER 111 CO 0.02 -0.92 0.02 0.61 0.41 0.00 0.00 173.24 173.38 2dm8 n GLY 112 N -0.87 3.99 0.24 3.44 0.00 -1.26 -5.06 105.19 105.67 2dm8 n GLY 112 Ca -0.05 -1.88 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 2dm8 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm8 h PRO 113 N 0.00 0.74 -6.28 1.61 0.13 -2.07 -3.45 132.00 122.69 2dm8 h PRO 113 Ca -0.03 -0.39 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2dm8 h PRO 113 Cb 0.14 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 31.13 2dm8 h PRO 113 CO 0.05 1.01 -0.77 0.45 -0.23 0.00 0.00 178.00 178.52 2dm8 s SER 114 N -6.86 3.55 -0.03 1.44 0.15 -1.26 -5.15 113.70 105.55 2dm8 s SER 114 Ca -0.09 -1.00 0.07 0.00 0.70 0.00 0.00 55.95 55.63 2dm8 s SER 114 Cb 0.12 -0.29 -0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2dm8 s SER 114 CO 0.85 0.05 -0.26 -0.55 1.20 0.00 0.00 173.24 174.54 2dm8 s SER 115 N -3.35 3.06 0.00 5.45 0.15 -1.26 -5.14 113.70 112.61 2dm8 s SER 115 Ca 0.28 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2dm8 s SER 115 Cb -0.06 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2dm8 s SER 115 CO 0.14 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.49