#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 2.78 -0.13 1.61 1.04 -1.26 -5.03 113.70 112.72 2dm8 s SER 2 Ca 0.00 -0.51 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2dm8 s SER 2 Cb 0.00 -1.27 -0.26 0.00 0.10 0.00 0.00 66.02 64.59 2dm8 s SER 2 CO 0.00 0.09 0.68 0.77 0.98 0.00 0.00 173.24 175.77 2dm8 h SER 3 N 7.03 0.15 -3.10 7.02 4.64 -2.14 -3.46 113.55 123.69 2dm8 h SER 3 Ca -0.26 -0.89 -0.34 0.00 -0.47 0.00 0.00 61.79 59.83 2dm8 h SER 3 Cb 1.21 -0.05 -0.37 0.00 -0.31 0.00 0.00 62.40 62.88 2dm8 h SER 3 CO 0.49 1.24 -0.68 -0.83 -0.87 0.00 0.00 176.83 176.18 2dm8 s GLY 4 N -4.46 0.13 -0.06 -0.77 0.00 -1.26 -5.14 107.32 95.77 2dm8 s GLY 4 Ca -0.20 0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.87 2dm8 s GLY 4 CO 0.71 1.63 -0.13 -0.56 0.00 0.00 0.00 173.10 174.76 2dm8 s SER 5 N 2.24 1.75 -0.30 1.64 0.01 -1.26 -5.11 113.70 112.67 2dm8 s SER 5 Ca 0.04 -0.29 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 2dm8 s SER 5 Cb -0.13 -0.71 0.17 0.00 0.21 0.00 0.00 66.02 65.57 2dm8 s SER 5 CO -0.06 0.06 1.07 -0.55 0.41 0.00 0.00 173.24 174.17 2dm8 s SER 6 N 0.49 -0.44 0.00 2.44 0.15 -1.26 -5.09 113.70 109.99 2dm8 s SER 6 Ca -0.11 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2dm8 s SER 6 Cb -0.14 1.48 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 2dm8 s SER 6 CO 0.03 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2dm8 n GLY 7 N 4.77 -1.79 0.25 9.45 0.00 -1.26 -5.03 105.19 111.58 2dm8 n GLY 7 Ca -0.09 0.64 0.13 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 1.61 0.13 -1.85 -3.17 132.00 128.72 2dm8 h PRO 8 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2dm8 h PRO 8 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dm8 h PRO 8 CO 0.00 0.14 -1.20 0.00 -0.23 0.00 0.00 178.00 176.71 2dm8 n ALA 9 N -2.19 0.96 -0.30 -0.56 0.00 -1.26 -4.50 120.51 112.66 2dm8 n ALA 9 Ca -0.00 -0.85 0.29 0.00 0.00 0.00 0.00 53.44 52.88 2dm8 n ALA 9 Cb 0.36 0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.38 2dm8 n ALA 9 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dm8 n THR 10 N -4.41 -0.34 -4.74 0.00 -2.24 -1.26 -4.16 114.28 97.14 2dm8 n THR 10 Ca -0.19 1.71 -0.32 0.00 -2.27 0.00 0.00 64.05 62.98 2dm8 n THR 10 Cb 0.56 -2.79 -0.12 0.00 -2.10 0.00 0.00 70.33 65.88 2dm8 n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dm8 n PRO 12 N 1.96 -0.84 -2.73 0.00 -0.04 -1.26 -4.73 135.00 127.37 2dm8 n PRO 12 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 2dm8 n PRO 12 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.91 4.13 -0.19 0.52 1.01 -1.26 -5.00 121.20 119.49 2dm8 s ILE 13 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 2dm8 s ILE 13 Cb 0.00 -4.72 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 2dm8 s ILE 13 CO 0.00 -1.46 0.73 -0.69 0.00 0.00 0.00 174.94 173.53 2dm8 s VAL 14 N 4.63 4.94 0.90 2.92 1.01 -1.26 -5.00 120.40 128.54 2dm8 s VAL 14 Ca 0.31 1.41 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 2dm8 s VAL 14 Cb -0.12 -4.04 0.13 0.00 0.00 0.00 0.00 36.38 32.35 2dm8 s VAL 14 CO 0.16 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.25 2dm8 s PRO 15 N 2.14 1.26 0.00 2.72 0.04 -1.26 -3.65 135.00 136.25 2dm8 s PRO 15 Ca 0.33 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2dm8 s PRO 15 Cb -0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dm8 s PRO 15 CO 0.11 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.32 2dm8 n GLY 16 N -1.13 2.04 3.29 0.56 0.00 -1.05 -4.93 105.19 103.98 2dm8 n GLY 16 Ca 0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 1.96 -0.13 1.61 -2.07 -1.24 -5.06 119.66 114.73 2dm8 s GLN 17 Ca 0.00 -0.91 -0.29 0.00 -1.82 0.00 0.00 55.36 52.34 2dm8 s GLN 17 Cb 0.00 -1.92 -0.04 0.00 -1.09 0.00 0.00 33.01 29.96 2dm8 s GLN 17 CO 0.00 0.52 1.61 -1.21 -1.32 0.00 0.00 175.29 174.89 2dm8 s GLU 18 N -0.67 4.03 0.44 9.60 2.02 -1.26 -4.70 118.70 128.16 2dm8 s GLU 18 Ca 0.10 1.94 0.07 0.00 0.02 0.00 0.00 54.97 57.10 2dm8 s GLU 18 Cb -0.10 -3.99 -0.02 0.00 0.10 0.00 0.00 34.13 30.12 2dm8 s GLU 18 CO -0.01 -1.01 0.30 0.00 0.02 0.00 0.00 175.26 174.56 2dm8 s MET 19 N 4.25 2.36 0.02 1.61 0.23 -0.78 -4.98 119.30 122.01 2dm8 s MET 19 Ca 0.71 -1.75 0.03 0.00 -1.03 0.00 0.00 55.69 53.65 2dm8 s MET 19 Cb -0.29 -2.17 -0.01 0.00 -1.53 0.00 0.00 34.83 30.83 2dm8 s MET 19 CO 0.28 -0.24 -0.09 0.42 -2.03 0.00 0.00 175.02 173.36 2dm8 s ILE 20 N -2.58 0.71 0.29 3.16 1.09 -1.26 -0.96 121.20 121.66 2dm8 s ILE 20 Ca 0.43 -0.67 0.11 0.00 -1.10 0.00 0.00 60.65 59.42 2dm8 s ILE 20 Cb -0.00 -0.65 -0.05 0.00 -1.06 0.00 0.00 42.46 40.70 2dm8 s ILE 20 CO 0.24 -0.00 -0.13 0.27 -0.10 0.00 0.00 174.94 175.23 2dm8 s ILE 21 N -0.62 2.65 -0.18 2.92 -0.00 0.01 -4.20 121.20 121.79 2dm8 s ILE 21 Ca -0.00 -2.24 -0.03 0.00 -0.00 0.00 0.00 60.65 58.37 2dm8 s ILE 21 Cb -0.06 -2.51 0.06 0.00 -0.00 0.00 0.00 42.46 39.95 2dm8 s ILE 21 CO 0.00 -0.35 0.05 -0.70 -0.00 0.00 0.00 174.94 173.94 2dm8 s GLU 22 N -3.58 0.49 -0.08 0.37 2.12 -1.26 -2.11 118.70 114.65 2dm8 s GLU 22 Ca 0.31 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.37 2dm8 s GLU 22 Cb -0.04 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.40 2dm8 s GLU 22 CO 0.17 -0.62 -0.10 0.42 -0.54 0.00 0.00 175.26 174.59 2dm8 s ILE 23 N 1.94 3.39 -0.39 -3.70 1.01 0.23 -4.93 121.20 118.75 2dm8 s ILE 23 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 2dm8 s ILE 23 Cb -0.16 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2dm8 s ILE 23 CO -0.08 0.58 0.26 -0.55 0.00 0.00 0.00 174.94 175.15 2dm8 s SER 24 N -0.50 5.97 0.43 3.58 0.15 -1.25 0.70 113.70 122.77 2dm8 s SER 24 Ca 0.07 -0.86 -0.24 0.00 0.70 0.00 0.00 55.95 55.63 2dm8 s SER 24 Cb -0.12 -2.11 -0.10 0.00 -1.71 0.00 0.00 66.02 61.98 2dm8 s SER 24 CO 0.02 -0.39 0.93 0.29 1.20 0.00 0.00 173.24 175.29 2dm8 n LYS 25 N 5.10 1.19 0.00 5.44 5.02 0.82 -4.98 118.16 130.75 2dm8 n LYS 25 Ca -0.12 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2dm8 n LYS 25 Cb 0.47 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 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 1.29 0.09 1.18 0.72 0.00 -1.26 -4.99 105.19 102.22 2dm8 n GLY 26 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.29 0.00 -1.05 1.61 1.74 -1.26 -4.83 116.66 112.59 2dm8 n ARG 27 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 2dm8 n ARG 27 Cb 0.00 -0.26 -0.08 0.00 -1.02 0.00 0.00 32.46 31.10 2dm8 n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2dm8 n SER 28 N -3.11 6.53 0.00 0.55 7.64 -1.26 -4.93 113.62 119.03 2dm8 n SER 28 Ca 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.43 2dm8 n SER 28 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 2dm8 n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm8 n GLY 29 N 3.20 2.48 3.81 0.23 0.00 -1.26 -4.51 105.19 109.13 2dm8 n GLY 29 Ca 0.57 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.43 2dm8 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm8 s LEU 30 N 0.00 3.80 -0.56 0.99 1.43 -1.26 -4.14 118.68 118.94 2dm8 s LEU 30 Ca 0.00 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2dm8 s LEU 30 Cb 0.00 -2.38 0.26 0.00 0.03 0.00 0.00 46.19 44.10 2dm8 s LEU 30 CO 0.00 0.03 0.70 0.61 0.23 0.00 0.00 176.35 177.91 2dm8 n GLY 31 N -0.68 4.31 3.35 -3.19 0.00 -1.26 -4.68 105.19 103.04 2dm8 n GLY 31 Ca -0.08 -2.43 -0.10 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.19 0.91 0.02 0.99 0.05 -1.26 -1.99 118.68 115.21 2dm8 s LEU 32 Ca 0.39 -0.93 0.01 0.00 0.05 0.00 0.00 54.13 53.65 2dm8 s LEU 32 Cb 0.17 1.17 -0.02 0.00 -2.05 0.00 0.00 46.19 45.46 2dm8 s LEU 32 CO -0.05 -0.92 -0.04 -0.55 -0.55 0.00 0.00 176.35 174.24 2dm8 s SER 33 N -2.99 0.45 0.20 1.48 0.15 0.26 -4.88 113.70 108.36 2dm8 s SER 33 Ca 0.20 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.53 2dm8 s SER 33 Cb 0.03 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 2dm8 s SER 33 CO 0.02 -0.17 -0.08 0.27 1.20 0.00 0.00 173.24 174.49 2dm8 s ILE 34 N -1.01 1.34 0.33 6.45 -4.36 -1.26 -1.73 121.20 120.95 2dm8 s ILE 34 Ca -0.09 -2.10 -0.05 0.00 -0.26 0.00 0.00 60.65 58.16 2dm8 s ILE 34 Cb -0.07 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.53 2dm8 s ILE 34 CO -0.00 -0.53 0.48 0.68 0.24 0.00 0.00 174.94 175.81 2dm8 s VAL 35 N -3.22 0.00 0.00 8.37 -7.23 -0.40 -4.74 120.40 113.18 2dm8 s VAL 35 Ca 0.23 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2dm8 s VAL 35 Cb 0.03 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2dm8 s VAL 35 CO 0.06 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 2dm8 n GLY 36 N -0.53 0.37 0.00 2.32 0.00 -1.26 -2.71 105.19 103.38 2dm8 n GLY 36 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.04 0.00 -0.02 0.00 -1.25 -4.25 105.19 99.63 2dm8 n GLY 37 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.57 1.61 5.02 -1.26 -0.93 118.16 122.03 2dm8 n LYS 38 Ca 0.00 0.36 0.45 0.00 -2.02 0.00 0.00 58.31 57.10 2dm8 n LYS 38 Cb 0.00 -1.04 0.69 0.00 -0.02 0.00 0.00 35.03 34.67 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 -1.58 0.00 -4.87 4.39 8.00 -1.26 -4.28 116.55 116.95 2dm8 n ASP 39 Ca 0.00 0.88 -0.32 0.00 0.71 0.00 0.00 54.79 56.06 2dm8 n ASP 39 Cb 0.00 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 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 -4.63 4.88 -2.00 -3.53 -4.23 -1.23 -4.96 115.64 99.94 2dm8 s THR 40 Ca -0.04 0.55 0.13 0.00 -1.18 0.00 0.00 61.69 61.14 2dm8 s THR 40 Cb 0.23 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.80 2dm8 s THR 40 CO 0.75 -0.15 1.20 -0.81 -0.54 0.00 0.00 174.62 175.07 2dm8 n PRO 41 N -0.34 0.49 -0.03 3.99 -0.04 -1.26 -3.06 135.00 134.75 2dm8 n PRO 41 Ca 0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.32 2dm8 n PRO 41 Cb 0.53 -1.42 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 2dm8 n PRO 41 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dm8 h LEU 42 N 0.00 0.20 1.06 1.53 4.07 -1.86 -3.48 115.31 116.84 2dm8 h LEU 42 Ca 0.00 -0.83 -0.39 0.00 0.08 0.00 0.00 57.88 56.75 2dm8 h LEU 42 Cb 0.00 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.69 2dm8 h LEU 42 CO 0.00 1.00 -0.57 0.59 -1.08 0.00 0.00 178.44 178.38 2dm8 n ASN 43 N -4.50 -5.29 -3.64 -0.43 3.02 -0.11 -4.87 115.26 99.44 2dm8 n ASN 43 Ca -0.10 -0.27 -0.06 0.00 -0.03 0.00 0.00 54.58 54.12 2dm8 n ASN 43 Cb 0.52 -4.31 -0.07 0.00 -0.61 0.00 0.00 39.78 35.31 2dm8 n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dm8 s ALA 44 N -3.07 -2.14 -0.17 5.41 0.00 -1.26 -4.89 121.76 115.64 2dm8 s ALA 44 Ca 0.30 1.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.84 2dm8 s ALA 44 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2dm8 s ALA 44 CO 0.37 -0.22 1.22 0.42 0.00 0.00 0.00 175.76 177.55 2dm8 s ILE 45 N 0.39 4.35 -0.05 0.00 -1.09 -1.26 -3.93 121.20 119.61 2dm8 s ILE 45 Ca 0.02 1.63 0.04 0.00 -2.23 0.00 0.00 60.65 60.11 2dm8 s ILE 45 Cb -0.05 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2dm8 s ILE 45 CO -0.11 -0.14 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.60 2dm8 s VAL 46 N 3.40 1.45 -0.50 2.92 1.01 -1.10 -1.48 120.40 126.10 2dm8 s VAL 46 Ca 0.53 -0.72 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 2dm8 s VAL 46 Cb -0.21 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2dm8 s VAL 46 CO 0.13 0.42 1.72 -0.63 0.00 0.00 0.00 175.10 176.74 2dm8 s ILE 47 N 0.10 3.52 0.07 2.22 1.01 -0.96 -1.27 121.20 125.88 2dm8 s ILE 47 Ca -0.05 0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.84 2dm8 s ILE 47 Cb -0.12 -3.97 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 2dm8 s ILE 47 CO 0.03 -0.79 1.42 -0.74 0.00 0.00 0.00 174.94 174.85 2dm8 h HIS 48 N 13.23 0.51 -2.16 3.97 -0.00 -1.63 -2.15 115.15 126.92 2dm8 h HIS 48 Ca -0.29 -0.13 -0.06 0.00 -0.00 0.00 0.00 60.37 59.89 2dm8 h HIS 48 Cb 1.15 -0.12 -0.21 0.00 -0.00 0.00 0.00 27.41 28.23 2dm8 h HIS 48 CO 1.01 0.73 0.08 -2.00 -0.00 0.00 0.00 177.93 177.75 2dm8 s GLU 49 N -4.57 0.86 -0.47 5.26 2.12 -1.25 -4.80 118.70 115.86 2dm8 s GLU 49 Ca -0.14 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.82 2dm8 s GLU 49 Cb 0.07 0.41 0.12 0.00 0.26 0.00 0.00 34.13 34.99 2dm8 s GLU 49 CO 0.76 -0.18 0.24 0.08 -0.54 0.00 0.00 175.26 175.62 2dm8 s VAL 50 N -0.28 3.03 -0.58 3.70 1.01 -1.26 -0.57 120.40 125.45 2dm8 s VAL 50 Ca -0.05 -2.60 -0.35 0.00 0.00 0.00 0.00 61.98 58.98 2dm8 s VAL 50 Cb -0.03 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 33.11 2dm8 s VAL 50 CO 0.04 -0.74 2.34 -1.22 0.00 0.00 0.00 175.10 175.52 2dm8 n TYR 51 N 3.94 1.19 0.17 5.22 4.01 -0.84 -4.73 117.16 126.12 2dm8 n TYR 51 Ca 0.03 0.41 0.06 0.00 -0.16 0.00 0.00 57.90 58.24 2dm8 n TYR 51 Cb 0.39 -2.44 0.30 0.00 -0.31 0.00 0.00 39.34 37.28 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 8.21 0.07 -1.30 -0.72 0.28 -1.26 -1.80 120.64 124.11 2dm8 n GLU 52 Ca 0.51 0.50 -0.30 0.00 -0.16 0.00 0.00 57.16 57.71 2dm8 n GLU 52 Cb 0.15 -1.70 0.12 0.00 1.43 0.00 0.00 31.44 31.43 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 -1.85 2.53 -1.20 3.44 0.28 -1.26 -4.72 120.64 117.87 2dm8 n GLU 53 Ca 0.00 -3.21 0.00 0.00 -0.16 0.00 0.00 57.16 53.79 2dm8 n GLU 53 Cb 0.06 -2.24 0.00 0.00 1.43 0.00 0.00 31.44 30.70 2dm8 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dm8 n GLY 54 N -1.00 4.61 0.09 -1.84 0.00 -0.75 -5.00 105.19 101.30 2dm8 n GLY 54 Ca 0.61 -1.62 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 2dm8 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm8 h ALA 55 N 1.00 -0.11 -1.51 4.61 0.00 -1.82 -2.76 119.26 118.66 2dm8 h ALA 55 Ca 0.00 -0.09 0.44 0.00 0.00 0.00 0.00 54.91 55.26 2dm8 h ALA 55 Cb 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2dm8 h ALA 55 CO 0.00 -0.11 1.25 0.00 0.00 0.00 0.00 179.25 180.39 2dm8 h ALA 56 N -0.87 3.42 0.12 0.00 0.00 -1.84 1.39 119.26 121.48 2dm8 h ALA 56 Ca -0.01 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.52 2dm8 h ALA 56 Cb 0.22 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dm8 h ALA 56 CO 0.02 -2.03 -1.68 0.00 0.00 0.00 0.00 179.25 175.57 2dm8 h ALA 57 N 0.93 0.33 -1.00 0.00 0.00 -1.75 -3.28 119.26 114.50 2dm8 h ALA 57 Ca 0.72 -1.21 0.24 0.00 0.00 0.00 0.00 54.91 54.67 2dm8 h ALA 57 Cb 3.21 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 21.29 2dm8 h ALA 57 CO -0.01 1.20 0.59 0.00 0.00 0.00 0.00 179.25 181.03 2dm8 h ARG 58 N 0.07 0.57 -0.03 0.00 2.47 0.22 0.11 114.38 117.79 2dm8 h ARG 58 Ca -0.30 -0.03 -0.25 0.00 -1.26 0.00 0.00 59.98 58.14 2dm8 h ARG 58 Cb 2.04 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 30.24 2dm8 h ARG 58 CO 0.14 0.38 -0.97 0.22 0.56 0.00 0.00 179.97 180.30 2dm8 h ASP 59 N 0.59 0.82 -2.10 7.04 1.82 -1.65 -3.48 116.42 119.46 2dm8 h ASP 59 Ca 0.64 -0.63 -0.15 0.00 -0.39 0.00 0.00 57.03 56.50 2dm8 h ASP 59 Cb 1.21 -0.25 0.03 0.00 0.68 0.00 0.00 39.33 41.00 2dm8 h ASP 59 CO -0.47 1.43 -0.22 0.61 -1.61 0.00 0.00 179.24 178.97 2dm8 n GLY 60 N 0.97 0.28 0.08 -0.78 0.00 0.37 -4.95 105.19 101.17 2dm8 n GLY 60 Ca -0.09 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.96 0.91 -3.40 1.61 5.12 -1.26 -4.90 116.66 112.77 2dm8 n ARG 61 Ca -0.03 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 2dm8 n ARG 61 Cb 0.54 -1.37 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 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 -5.70 4.72 -0.09 0.55 1.43 -1.26 -4.94 118.68 113.38 2dm8 s LEU 62 Ca -0.18 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.38 2dm8 s LEU 62 Cb 0.06 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2dm8 s LEU 62 CO 0.49 -0.43 -0.03 0.26 0.23 0.00 0.00 176.35 176.87 2dm8 s TRP 63 N 1.97 3.07 -0.36 0.29 0.51 -1.26 -4.87 118.94 118.29 2dm8 s TRP 63 Ca 0.10 0.05 -0.34 0.00 -2.12 0.00 0.00 56.10 53.79 2dm8 s TRP 63 Cb -0.17 -1.80 -0.11 0.00 -0.81 0.00 0.00 33.47 30.58 2dm8 s TRP 63 CO 0.12 0.33 2.22 0.00 -0.51 0.00 0.00 176.95 179.11 2dm8 n ALA 64 N 2.45 1.11 0.00 0.98 0.00 -1.26 -3.17 120.51 120.62 2dm8 n ALA 64 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2dm8 n ALA 64 Cb 0.53 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 6.46 1.02 3.69 0.00 0.00 -0.81 -5.00 105.19 110.55 2dm8 n GLY 65 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.02 4.27 -0.23 1.61 -1.08 -1.19 -4.93 116.67 114.09 2dm8 s ASP 66 Ca 0.00 -1.12 0.01 0.00 -0.52 0.00 0.00 52.55 50.93 2dm8 s ASP 66 Cb 0.00 -0.48 0.06 0.00 -1.46 0.00 0.00 42.92 41.04 2dm8 s ASP 66 CO 0.00 -0.46 -0.07 -1.10 0.52 0.00 0.00 175.17 174.06 2dm8 s GLN 67 N -3.83 1.83 0.14 4.34 -0.21 -1.26 -2.28 119.66 118.40 2dm8 s GLN 67 Ca 0.39 -1.04 -0.25 0.00 0.02 0.00 0.00 55.36 54.47 2dm8 s GLN 67 Cb 0.04 -2.62 -0.08 0.00 1.00 0.00 0.00 33.01 31.35 2dm8 s GLN 67 CO 0.21 -0.56 0.77 0.42 -2.12 0.00 0.00 175.29 174.01 2dm8 s ILE 68 N 1.33 4.43 -0.06 1.08 1.09 -0.55 -1.98 121.20 126.55 2dm8 s ILE 68 Ca -0.06 1.68 0.10 0.00 -1.10 0.00 0.00 60.65 61.27 2dm8 s ILE 68 Cb -0.19 -4.13 -0.14 0.00 -1.06 0.00 0.00 42.46 36.94 2dm8 s ILE 68 CO -0.06 0.50 0.13 0.18 -0.10 0.00 0.00 174.94 175.59 2dm8 n LEU 69 N 1.79 0.00 -3.55 2.97 4.77 -0.26 -4.17 117.00 118.56 2dm8 n LEU 69 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.77 2dm8 n LEU 69 Cb 0.49 0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.65 2dm8 n LEU 69 CO 0.46 0.12 0.36 -0.70 -1.33 0.00 0.00 177.39 176.31 2dm8 s GLU 70 N -2.48 1.03 -0.04 3.23 2.12 -1.24 -1.97 118.70 119.35 2dm8 s GLU 70 Ca -0.04 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 2dm8 s GLU 70 Cb 0.05 0.48 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2dm8 s GLU 70 CO 0.42 -0.34 0.07 0.54 -0.54 0.00 0.00 175.26 175.41 2dm8 s VAL 71 N -1.65 -0.10 -1.10 3.70 0.11 -0.91 -0.96 120.40 119.49 2dm8 s VAL 71 Ca -0.09 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2dm8 s VAL 71 Cb -0.01 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 2dm8 s VAL 71 CO 0.05 0.13 0.00 -3.20 -3.33 0.00 0.00 175.10 168.76 2dm8 n ASN 72 N 4.77 -3.65 -0.03 3.54 2.85 0.85 -0.13 115.26 123.46 2dm8 n ASN 72 Ca -0.15 0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2dm8 n ASN 72 Cb 0.50 -3.20 0.00 0.00 1.24 0.00 0.00 39.78 38.32 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 0.73 2.77 8.20 0.00 -1.26 -5.05 105.19 109.95 2dm8 n GLY 73 Ca -0.14 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.07 1.02 0.20 1.61 1.01 0.82 -5.11 120.40 117.89 2dm8 s VAL 74 Ca 0.00 -1.42 -0.32 0.00 0.00 0.00 0.00 61.98 60.24 2dm8 s VAL 74 Cb 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 36.38 34.50 2dm8 s VAL 74 CO 0.00 -0.61 1.20 -0.67 0.00 0.00 0.00 175.10 175.02 2dm8 n ASP 75 N 4.79 1.63 0.00 3.32 2.03 -1.26 -2.14 116.55 124.93 2dm8 n ASP 75 Ca -0.02 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2dm8 n ASP 75 Cb 0.42 -1.27 0.00 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 1.96 0.00 0.00 -2.67 4.77 -0.83 -4.29 117.00 115.93 2dm8 n LEU 76 Ca 0.14 -0.13 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 2dm8 n LEU 76 Cb 0.27 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.45 2dm8 n LEU 76 CO 0.61 0.00 0.55 -2.11 -1.33 0.00 0.00 177.39 175.11 2dm8 n ARG 77 N -1.34 0.01 -0.00 3.23 1.85 -1.22 -2.47 116.66 116.73 2dm8 n ARG 77 Ca 0.00 0.38 -0.00 0.00 -1.00 0.00 0.00 57.85 57.23 2dm8 n ARG 77 Cb 0.00 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2dm8 n ARG 77 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2dm8 n ASN 78 N -1.45 4.70 -3.86 2.89 2.85 -1.26 -4.80 115.26 114.32 2dm8 n ASN 78 Ca 0.01 -0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.18 2dm8 n ASN 78 Cb 0.05 0.36 0.25 0.00 1.24 0.00 0.00 39.78 41.67 2dm8 n ASN 78 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dm8 s SER 79 N -3.30 0.61 0.58 1.20 0.01 -1.03 -4.83 113.70 106.94 2dm8 s SER 79 Ca -0.00 0.80 0.08 0.00 1.31 0.00 0.00 55.95 58.14 2dm8 s SER 79 Cb 0.00 -1.15 0.08 0.00 0.21 0.00 0.00 66.02 65.16 2dm8 s SER 79 CO 0.00 -4.33 0.80 -0.55 0.41 0.00 0.00 173.24 169.57 2dm8 s SER 80 N -3.58 5.05 0.02 2.44 0.15 -1.26 -4.10 113.70 112.43 2dm8 s SER 80 Ca 0.70 -0.73 -0.11 0.00 0.70 0.00 0.00 55.95 56.51 2dm8 s SER 80 Cb -0.13 0.14 -0.06 0.00 -1.71 0.00 0.00 66.02 64.27 2dm8 s SER 80 CO 0.57 -1.36 1.17 -0.74 1.20 0.00 0.00 173.24 174.09 2dm8 h HIS 81 N 0.12 -0.43 -0.29 3.44 2.76 -1.92 -2.22 115.15 116.62 2dm8 h HIS 81 Ca -0.32 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 57.88 2dm8 h HIS 81 Cb 1.28 0.16 -0.04 0.00 1.55 0.00 0.00 27.41 30.37 2dm8 h HIS 81 CO 0.34 -0.22 -0.17 0.39 -1.30 0.00 0.00 177.93 176.97 2dm8 n GLU 82 N -3.24 -0.13 -0.38 5.26 4.71 -1.26 -0.79 120.64 124.80 2dm8 n GLU 82 Ca -0.04 1.10 -0.04 0.00 -0.01 0.00 0.00 57.16 58.17 2dm8 n GLU 82 Cb 0.15 -1.63 -0.01 0.00 -1.01 0.00 0.00 31.44 28.94 2dm8 n GLU 82 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2dm8 n GLU 83 N -3.64 -0.29 -0.28 3.49 -0.58 -1.22 0.81 120.64 118.92 2dm8 n GLU 83 Ca 0.01 1.48 0.10 0.00 -0.42 0.00 0.00 57.16 58.33 2dm8 n GLU 83 Cb 0.08 -2.19 0.25 0.00 -0.57 0.00 0.00 31.44 29.01 2dm8 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dm8 h ALA 84 N 1.06 1.21 0.42 0.62 0.00 -0.31 0.14 119.26 122.41 2dm8 h ALA 84 Ca 0.28 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2dm8 h ALA 84 Cb 0.52 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2dm8 h ALA 84 CO -0.94 -0.36 -0.32 0.82 0.00 0.00 0.00 179.25 178.45 2dm8 h ILE 85 N 0.32 0.34 -0.85 0.00 1.08 0.14 -2.59 117.51 115.94 2dm8 h ILE 85 Ca 0.50 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 65.00 2dm8 h ILE 85 Cb 0.92 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 2dm8 h ILE 85 CO -0.55 0.00 0.56 0.74 -0.69 0.00 0.00 178.15 178.21 2dm8 h THR 86 N -0.74 1.15 0.00 -0.27 2.02 -0.66 -0.15 112.91 114.26 2dm8 h THR 86 Ca -0.04 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2dm8 h THR 86 Cb 0.63 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2dm8 h THR 86 CO 0.00 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.09 2dm8 h ALA 87 N 1.50 1.00 0.01 6.16 0.00 -0.38 -0.27 119.26 127.27 2dm8 h ALA 87 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 2dm8 h ALA 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2dm8 h ALA 87 CO -0.09 -0.00 -1.91 1.28 0.00 0.00 0.00 179.25 178.53 2dm8 n LEU 88 N -2.47 0.76 0.04 0.00 4.77 -0.09 -4.05 117.00 115.96 2dm8 n LEU 88 Ca -0.02 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 2dm8 n LEU 88 Cb 0.04 0.18 0.36 0.00 -2.33 0.00 0.00 43.42 41.68 2dm8 n LEU 88 CO 0.12 0.44 0.66 0.54 -1.33 0.00 0.00 177.39 177.82 2dm8 n ARG 89 N -2.99 0.13 -0.48 3.23 1.74 -0.27 -3.37 116.66 114.65 2dm8 n ARG 89 Ca -0.22 0.07 0.10 0.00 -0.77 0.00 0.00 57.85 57.03 2dm8 n ARG 89 Cb 1.08 -1.61 0.32 0.00 -1.02 0.00 0.00 32.46 31.23 2dm8 n ARG 89 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2dm8 n GLN 90 N -1.82 3.14 -3.37 5.56 6.02 -0.30 -4.94 117.38 121.67 2dm8 n GLN 90 Ca 0.05 -2.59 -0.38 0.00 -0.01 0.00 0.00 57.00 54.08 2dm8 n GLN 90 Cb 0.38 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.50 4.87 0.00 5.09 -4.23 -1.22 -5.06 115.64 113.59 2dm8 s THR 91 Ca 0.47 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 2dm8 s THR 91 Cb 0.28 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.32 2dm8 s THR 91 CO 0.27 0.50 0.00 -0.81 -0.54 0.00 0.00 174.62 174.03 2dm8 n PRO 92 N 1.55 -0.83 -0.10 3.99 -0.04 -1.26 -4.92 135.00 133.38 2dm8 n PRO 92 Ca -0.10 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 2dm8 n PRO 92 Cb 0.51 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.99 2dm8 n PRO 92 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dm8 h GLN 93 N 0.00 0.06 -5.15 0.54 4.20 -1.94 -3.29 115.11 109.53 2dm8 h GLN 93 Ca 0.00 -0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2dm8 h GLN 93 Cb 0.00 -0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.60 2dm8 h GLN 93 CO 0.00 0.04 1.12 0.15 -0.67 0.00 0.00 178.83 179.47 2dm8 s LYS 94 N -6.19 3.73 -0.46 1.46 1.02 -1.26 -0.13 119.74 117.92 2dm8 s LYS 94 Ca -0.13 -1.88 -0.29 0.00 0.02 0.00 0.00 55.97 53.69 2dm8 s LYS 94 Cb 0.13 -5.04 0.03 0.00 -0.52 0.00 0.00 37.83 32.43 2dm8 s LYS 94 CO 0.70 -1.86 1.11 0.08 -0.92 0.00 0.00 175.35 174.47 2dm8 s VAL 95 N 2.81 4.26 -0.06 3.17 1.01 0.22 -4.84 120.40 126.98 2dm8 s VAL 95 Ca 0.38 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.59 2dm8 s VAL 95 Cb -0.03 -4.57 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 2dm8 s VAL 95 CO -0.06 -0.94 -0.07 -0.60 0.00 0.00 0.00 175.10 173.42 2dm8 s ARG 96 N 4.30 2.72 0.05 2.72 3.00 -1.26 -0.60 118.95 129.88 2dm8 s ARG 96 Ca 0.46 -0.57 -0.09 0.00 -1.00 0.00 0.00 55.73 54.53 2dm8 s ARG 96 Cb -0.08 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.30 2dm8 s ARG 96 CO 0.30 0.66 0.19 -0.51 0.00 0.00 0.00 175.30 175.94 2dm8 s LEU 97 N -0.87 1.38 -0.34 -0.88 1.02 -0.90 -0.11 118.68 117.99 2dm8 s LEU 97 Ca 0.13 -0.42 -0.10 0.00 0.02 0.00 0.00 54.13 53.76 2dm8 s LEU 97 Cb -0.11 0.97 0.01 0.00 0.02 0.00 0.00 46.19 47.08 2dm8 s LEU 97 CO 0.02 -0.58 0.17 -0.69 0.02 0.00 0.00 176.35 175.28 2dm8 s VAL 98 N -2.78 4.48 0.00 -1.59 1.01 -0.13 -0.81 120.40 120.58 2dm8 s VAL 98 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2dm8 s VAL 98 Cb -0.00 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2dm8 s VAL 98 CO -0.05 -0.09 -0.07 0.68 0.00 0.00 0.00 175.10 175.58 2dm8 s VAL 99 N 1.56 3.66 -0.21 2.92 -7.23 -0.13 -1.10 120.40 119.87 2dm8 s VAL 99 Ca 0.03 -0.76 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 2dm8 s VAL 99 Cb -0.18 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.22 2dm8 s VAL 99 CO 0.06 0.40 -0.03 -0.47 -0.31 0.00 0.00 175.10 174.75 2dm8 s TYR 100 N -0.99 1.92 -0.39 2.82 5.04 -0.84 -1.87 117.35 123.04 2dm8 s TYR 100 Ca 0.17 -1.41 -0.13 0.00 -2.44 0.00 0.00 57.07 53.26 2dm8 s TYR 100 Cb -0.11 -1.39 0.02 0.00 0.35 0.00 0.00 41.96 40.83 2dm8 s TYR 100 CO 0.07 -0.71 0.26 0.50 -1.34 0.00 0.00 175.55 174.34 2dm8 s ARG 101 N 1.56 2.99 0.58 4.97 3.52 -1.26 -4.09 118.95 127.23 2dm8 s ARG 101 Ca -0.04 -0.99 -0.19 0.00 -0.13 0.00 0.00 55.73 54.39 2dm8 s ARG 101 Cb -0.18 -3.87 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 2dm8 s ARG 101 CO -0.07 -0.69 1.19 -0.51 -0.81 0.00 0.00 175.30 174.41 2dm8 s ASP 102 N 1.64 5.29 -0.65 -2.12 1.01 -1.26 -2.53 116.67 118.05 2dm8 s ASP 102 Ca 0.04 2.34 -0.00 0.00 0.71 0.00 0.00 52.55 55.64 2dm8 s ASP 102 Cb -0.19 -2.59 0.42 0.00 1.01 0.00 0.00 42.92 41.57 2dm8 s ASP 102 CO 0.09 -1.52 1.85 -1.84 0.21 0.00 0.00 175.17 173.96 2dm8 n GLU 103 N -1.55 2.89 -3.83 8.23 -0.00 -1.26 -4.83 120.64 120.29 2dm8 n GLU 103 Ca 0.13 -3.56 -0.12 0.00 -0.00 0.00 0.00 57.16 53.61 2dm8 n GLU 103 Cb 0.50 -2.28 -0.12 0.00 -0.00 0.00 0.00 31.44 29.54 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 -3.85 -0.35 -0.36 -1.84 0.00 -1.26 -4.92 121.76 109.18 2dm8 s ALA 104 Ca 0.58 0.31 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 2dm8 s ALA 104 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 2dm8 s ALA 104 CO -0.13 -0.10 0.30 0.72 0.00 0.00 0.00 175.76 176.56 2dm8 n HIS 105 N 2.71 -0.69 0.20 0.00 8.25 -1.26 -5.00 115.22 119.43 2dm8 n HIS 105 Ca -0.14 0.28 -0.08 0.00 -0.26 0.00 0.00 57.72 57.52 2dm8 n HIS 105 Cb 0.58 -2.96 -0.04 0.00 1.12 0.00 0.00 29.99 28.70 2dm8 n HIS 105 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2dm8 h TYR 106 N -0.53 -0.48 -3.47 4.41 -1.99 -1.95 -3.43 116.97 109.53 2dm8 h TYR 106 Ca -0.18 -0.01 -0.53 0.00 2.00 0.00 0.00 58.73 60.00 2dm8 h TYR 106 Cb 1.10 0.16 -0.03 0.00 2.00 0.00 0.00 36.73 39.96 2dm8 h TYR 106 CO 0.13 -0.30 -0.02 0.50 -0.00 0.00 0.00 178.16 178.46 2dm8 s ARG 107 N -4.04 3.99 0.60 4.88 6.06 -1.26 -4.96 118.95 124.23 2dm8 s ARG 107 Ca -0.08 0.55 0.31 0.00 -2.50 0.00 0.00 55.73 54.01 2dm8 s ARG 107 Cb 0.01 -2.77 1.79 0.00 0.06 0.00 0.00 34.95 34.04 2dm8 s ARG 107 CO 0.23 0.37 2.17 0.22 -2.50 0.00 0.00 175.30 175.78 2dm8 h ASP 108 N 3.07 0.00 -2.46 -2.12 3.58 -2.03 -3.36 116.42 113.10 2dm8 h ASP 108 Ca -0.48 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.34 2dm8 h ASP 108 Cb 1.18 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.09 2dm8 h ASP 108 CO 0.66 0.00 0.72 -1.83 -2.88 0.00 0.00 179.24 175.91 2dm8 s GLU 109 N -4.56 3.27 0.52 0.28 -1.05 -1.26 -5.02 118.70 110.88 2dm8 s GLU 109 Ca -0.05 -1.03 -0.20 0.00 -0.15 0.00 0.00 54.97 53.54 2dm8 s GLU 109 Cb 0.15 -4.47 -0.07 0.00 -0.44 0.00 0.00 34.13 29.30 2dm8 s GLU 109 CO 0.52 -1.86 1.11 -2.00 0.95 0.00 0.00 175.26 173.97 2dm8 s GLU 110 N 3.93 3.51 0.05 -4.83 2.12 -1.26 -4.98 118.70 117.23 2dm8 s GLU 110 Ca 0.27 1.55 -0.29 0.00 0.36 0.00 0.00 54.97 56.86 2dm8 s GLU 110 Cb -0.12 -2.06 -0.16 0.00 0.26 0.00 0.00 34.13 32.05 2dm8 s GLU 110 CO 0.04 -0.71 1.44 0.66 -0.54 0.00 0.00 175.26 176.15 2dm8 h SER 111 N 1.36 -0.93 0.00 -1.70 4.64 -1.95 -3.48 113.55 111.49 2dm8 h SER 111 Ca -0.50 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2dm8 h SER 111 Cb 1.25 0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2dm8 h SER 111 CO 0.58 -0.62 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 2dm8 n GLY 112 N -1.51 5.07 3.59 -0.77 0.00 -1.26 -5.10 105.19 105.21 2dm8 n GLY 112 Ca -0.13 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 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 1.31 3.25 0.18 1.61 0.04 -1.26 -4.89 135.00 135.24 2dm8 s PRO 113 Ca 0.00 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 2dm8 s PRO 113 Cb 0.00 -4.20 0.12 0.00 0.04 0.00 0.00 34.50 30.47 2dm8 s PRO 113 CO 0.00 -1.96 1.34 0.45 0.04 0.00 0.00 177.00 176.87 2dm8 n SER 114 N 10.43 -0.67 -4.73 6.66 2.88 -1.26 -4.41 113.62 122.52 2dm8 n SER 114 Ca 0.21 1.52 -0.36 0.00 -1.33 0.00 0.00 58.87 58.90 2dm8 n SER 114 Cb 0.48 -0.30 0.07 0.00 -0.75 0.00 0.00 64.21 63.71 2dm8 n SER 114 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dm8 s SER 115 N -5.35 4.62 0.00 -3.46 0.15 -1.26 -5.23 113.70 103.17 2dm8 s SER 115 Ca -0.11 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2dm8 s SER 115 Cb 0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2dm8 s SER 115 CO 0.59 -1.99 0.00 0.61 1.20 0.00 0.00 173.24 173.65