#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 h SER 2 N 0.00 0.65 -3.16 1.61 0.02 -2.11 -3.36 113.55 107.20 2dm2 h SER 2 Ca 0.00 -0.16 -0.61 0.00 -0.84 0.00 0.00 61.79 60.18 2dm2 h SER 2 Cb 0.00 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 61.97 2dm2 h SER 2 CO 0.00 0.63 -0.71 -0.55 -1.14 0.00 0.00 176.83 175.06 2dm2 s SER 3 N -5.92 3.71 0.00 3.07 0.15 -1.26 -4.99 113.70 108.46 2dm2 s SER 3 Ca -0.13 -3.28 0.00 0.00 0.70 0.00 0.00 55.95 53.24 2dm2 s SER 3 Cb 0.11 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2dm2 s SER 3 CO 0.77 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.65 2dm2 n GLY 4 N 2.68 -0.67 3.73 9.45 0.00 -1.26 -5.15 105.19 113.97 2dm2 n GLY 4 Ca 0.18 0.82 -0.36 0.00 0.00 0.00 0.00 46.02 46.65 2dm2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm2 s SER 5 N 0.00 6.45 -0.14 1.61 0.15 -1.26 -4.34 113.70 116.16 2dm2 s SER 5 Ca 0.00 0.52 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 2dm2 s SER 5 Cb 0.00 -2.18 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2dm2 s SER 5 CO 0.00 0.10 -0.05 -0.55 1.20 0.00 0.00 173.24 173.95 2dm2 s SER 6 N 0.43 4.73 0.00 5.45 0.15 -1.26 -4.53 113.70 118.67 2dm2 s SER 6 Ca 0.17 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dm2 s SER 6 Cb -0.13 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2dm2 s SER 6 CO 0.04 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.29 2dm2 n GLY 7 N 3.35 2.34 3.72 9.45 0.00 -1.26 -5.08 105.19 117.71 2dm2 n GLY 7 Ca -0.18 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2dm2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm2 s ALA 8 N -1.36 1.74 0.57 4.61 0.00 -1.26 -4.22 121.76 121.84 2dm2 s ALA 8 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 2dm2 s ALA 8 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2dm2 s ALA 8 CO 0.00 -2.24 1.13 -1.25 0.00 0.00 0.00 175.76 173.40 2dm2 s PRO 9 N -4.85 3.25 -0.16 0.00 0.04 -1.26 -4.46 135.00 127.56 2dm2 s PRO 9 Ca 0.63 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 2dm2 s PRO 9 Cb -0.19 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.40 2dm2 s PRO 9 CO 0.57 -0.92 0.44 -0.59 0.04 0.00 0.00 177.00 176.53 2dm2 s PHE 10 N -1.88 -0.47 -0.37 0.56 -0.12 -1.22 -4.70 117.98 109.78 2dm2 s PHE 10 Ca 0.72 1.15 -0.29 0.00 -0.05 0.00 0.00 56.93 58.46 2dm2 s PHE 10 Cb -0.23 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2dm2 s PHE 10 CO 0.30 -0.23 1.11 -0.06 -0.05 0.00 0.00 175.22 176.28 2dm2 s PHE 11 N 0.20 3.02 0.08 3.49 0.08 -1.26 -1.26 117.98 122.33 2dm2 s PHE 11 Ca -0.00 1.04 -0.06 0.00 0.12 0.00 0.00 56.93 58.02 2dm2 s PHE 11 Cb -0.03 -3.93 -0.27 0.00 -0.57 0.00 0.00 43.02 38.22 2dm2 s PHE 11 CO 0.01 -0.97 1.14 0.93 -0.10 0.00 0.00 175.22 176.23 2dm2 h GLU 12 N 8.50 0.34 -2.99 0.44 5.08 -1.70 -3.41 114.58 120.83 2dm2 h GLU 12 Ca -0.21 -0.54 -0.60 0.00 -1.00 0.00 0.00 59.36 57.00 2dm2 h GLU 12 Cb 1.06 0.20 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 2dm2 h GLU 12 CO 1.06 1.24 -0.76 1.41 -1.00 0.00 0.00 179.01 180.97 2dm2 s MET 13 N -2.73 1.06 1.02 2.33 0.00 -1.25 -4.99 119.30 114.74 2dm2 s MET 13 Ca -0.05 -1.74 -0.18 0.00 0.00 0.00 0.00 55.69 53.71 2dm2 s MET 13 Cb 0.07 -2.09 -0.05 0.00 0.00 0.00 0.00 34.83 32.76 2dm2 s MET 13 CO 0.89 -1.15 -0.43 1.63 0.00 0.00 0.00 175.02 175.96 2dm2 n LYS 14 N 3.83 -0.47 -2.42 4.11 4.76 -1.26 -4.05 118.16 122.66 2dm2 n LYS 14 Ca 0.08 -0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.97 2dm2 n LYS 14 Cb 0.36 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dm2 s LEU 15 N 3.24 4.27 0.39 -0.35 1.43 -1.26 -4.91 118.68 121.49 2dm2 s LEU 15 Ca 0.48 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 2dm2 s LEU 15 Cb -0.11 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 2dm2 s LEU 15 CO 0.71 -0.63 0.84 -0.75 0.23 0.00 0.00 176.35 176.75 2dm2 s LYS 16 N 2.43 4.03 -0.12 1.70 2.36 -1.26 -4.89 119.74 123.99 2dm2 s LYS 16 Ca 0.57 0.81 -0.20 0.00 -2.55 0.00 0.00 55.97 54.60 2dm2 s LYS 16 Cb -0.25 -2.31 -0.04 0.00 -1.05 0.00 0.00 37.83 34.18 2dm2 s LYS 16 CO 0.22 0.02 0.58 -1.01 1.55 0.00 0.00 175.35 176.70 2dm2 s HIS 17 N -2.18 3.49 -0.05 4.03 3.76 -1.26 -4.83 115.29 118.26 2dm2 s HIS 17 Ca 0.57 1.00 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 2dm2 s HIS 17 Cb -0.10 -2.69 -0.01 0.00 1.11 0.00 0.00 32.58 30.89 2dm2 s HIS 17 CO 0.20 0.06 -0.24 0.71 -0.85 0.00 0.00 174.74 174.61 2dm2 s TYR 18 N 1.01 2.30 -0.26 1.40 2.02 -1.26 -5.11 117.35 117.44 2dm2 s TYR 18 Ca 0.30 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2dm2 s TYR 18 Cb -0.16 -1.50 0.04 0.00 -0.40 0.00 0.00 41.96 39.94 2dm2 s TYR 18 CO 0.13 -0.16 -0.07 0.21 -1.57 0.00 0.00 175.55 174.08 2dm2 s LYS 19 N -0.25 2.59 0.41 -0.62 2.20 -1.26 -3.61 119.74 119.20 2dm2 s LYS 19 Ca -0.00 -1.14 0.05 0.00 -0.36 0.00 0.00 55.97 54.52 2dm2 s LYS 19 Cb -0.12 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.20 2dm2 s LYS 19 CO 0.02 -0.48 0.17 0.96 -0.36 0.00 0.00 175.35 175.66 2dm2 s ILE 20 N 1.25 0.40 0.36 5.43 -4.36 -1.00 -5.03 121.20 118.25 2dm2 s ILE 20 Ca -0.03 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.43 2dm2 s ILE 20 Cb -0.18 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 2dm2 s ILE 20 CO -0.04 0.00 0.47 -0.36 0.24 0.00 0.00 174.94 175.25 2dm2 s PHE 21 N -3.21 2.99 0.20 1.37 0.40 -1.26 -2.84 117.98 115.63 2dm2 s PHE 21 Ca 0.25 -0.29 -0.32 0.00 -0.60 0.00 0.00 56.93 55.97 2dm2 s PHE 21 Cb 0.01 -2.09 -0.11 0.00 0.51 0.00 0.00 43.02 41.34 2dm2 s PHE 21 CO 0.18 -0.11 1.66 -2.00 0.70 0.00 0.00 175.22 175.65 2dm2 s GLU 22 N -4.20 4.16 0.00 0.44 2.12 0.41 -2.28 118.70 119.34 2dm2 s GLU 22 Ca 0.47 2.52 0.00 0.00 0.36 0.00 0.00 54.97 58.33 2dm2 s GLU 22 Cb -0.09 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2dm2 s GLU 22 CO 0.31 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2dm2 n GLY 23 N 3.76 3.02 3.77 -1.50 0.00 0.22 -4.69 105.19 109.77 2dm2 n GLY 23 Ca 0.15 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dm2 s MET 24 N 0.00 3.80 0.71 1.61 -1.94 -0.97 -3.87 119.30 118.65 2dm2 s MET 24 Ca 0.00 2.46 -0.13 0.00 -1.71 0.00 0.00 55.69 56.31 2dm2 s MET 24 Cb 0.00 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2dm2 s MET 24 CO 0.00 -0.74 1.10 -1.25 -0.01 0.00 0.00 175.02 174.12 2dm2 s PRO 25 N -2.35 2.53 0.02 2.03 0.04 -1.26 -3.92 135.00 132.10 2dm2 s PRO 25 Ca 0.59 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 2dm2 s PRO 25 Cb -0.44 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 2dm2 s PRO 25 CO 0.58 -1.44 -0.01 0.54 0.04 0.00 0.00 177.00 176.70 2dm2 s VAL 26 N -2.61 0.12 -0.00 -0.36 0.11 -1.11 -4.99 120.40 111.57 2dm2 s VAL 26 Ca 0.64 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 2dm2 s VAL 26 Cb -0.19 -0.47 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 2dm2 s VAL 26 CO 0.48 -0.57 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.73 2dm2 s THR 27 N -1.85 0.53 -0.22 5.04 2.01 -1.26 -1.52 115.64 118.37 2dm2 s THR 27 Ca -0.12 -0.32 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2dm2 s THR 27 Cb -0.07 -0.46 0.06 0.00 0.01 0.00 0.00 72.50 72.05 2dm2 s THR 27 CO -0.02 0.13 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.66 2dm2 s PHE 28 N -0.20 1.92 -0.04 4.92 0.08 -0.34 -4.96 117.98 119.35 2dm2 s PHE 28 Ca 0.02 -1.46 0.01 0.00 0.12 0.00 0.00 56.93 55.62 2dm2 s PHE 28 Cb -0.03 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2dm2 s PHE 28 CO -0.00 -0.72 -0.03 0.99 -0.10 0.00 0.00 175.22 175.35 2dm2 s THR 29 N 1.56 3.95 -0.27 0.64 2.01 -1.26 -1.62 115.64 120.65 2dm2 s THR 29 Ca -0.03 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 2dm2 s THR 29 Cb -0.18 -2.69 0.08 0.00 0.01 0.00 0.00 72.50 69.72 2dm2 s THR 29 CO -0.07 0.50 0.66 0.00 -0.69 0.00 0.00 174.62 175.01 2dm2 s ARG 31 N 1.68 3.65 -0.14 0.00 3.52 -1.26 -3.10 118.95 123.31 2dm2 s ARG 31 Ca -0.10 -0.22 -0.06 0.00 -0.13 0.00 0.00 55.73 55.22 2dm2 s ARG 31 Cb -0.06 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 2dm2 s ARG 31 CO -0.19 -0.55 0.10 0.08 -0.81 0.00 0.00 175.30 173.92 2dm2 s VAL 32 N 2.22 5.12 0.53 7.11 1.01 -1.26 -1.69 120.40 133.45 2dm2 s VAL 32 Ca 0.16 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.28 2dm2 s VAL 32 Cb -0.16 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.03 2dm2 s VAL 32 CO 0.12 0.56 0.58 0.00 0.00 0.00 0.00 175.10 176.36 2dm2 s ALA 33 N -0.54 4.51 0.00 5.51 0.00 -0.39 -4.91 121.76 125.94 2dm2 s ALA 33 Ca 0.11 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2dm2 s ALA 33 Cb -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.87 2dm2 s ALA 33 CO 0.02 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.60 2dm2 n GLY 34 N -1.95 2.52 2.96 0.00 0.00 -1.26 -3.42 105.19 104.03 2dm2 n GLY 34 Ca 0.07 -1.59 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 2dm2 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm2 s ASN 35 N 0.00 0.27 0.72 1.61 -0.87 -1.26 -3.86 114.94 111.55 2dm2 s ASN 35 Ca 0.00 -0.36 -0.13 0.00 -1.57 0.00 0.00 52.86 50.80 2dm2 s ASN 35 Cb 0.00 0.06 0.03 0.00 -0.02 0.00 0.00 41.25 41.32 2dm2 s ASN 35 CO 0.00 -0.20 1.10 -2.16 -2.57 0.00 0.00 177.10 173.27 2dm2 s PRO 36 N -1.04 2.50 -0.31 -0.60 0.04 -1.26 -4.93 135.00 129.40 2dm2 s PRO 36 Ca -0.10 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 2dm2 s PRO 36 Cb -0.07 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 2dm2 s PRO 36 CO -0.01 -1.47 1.27 1.63 0.04 0.00 0.00 177.00 178.47 2dm2 n LYS 37 N -3.02 0.00 -1.66 4.56 4.76 -1.25 -4.84 118.16 116.71 2dm2 n LYS 37 Ca 0.10 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.21 2dm2 n LYS 37 Cb 0.53 -0.92 0.06 0.00 -1.84 0.00 0.00 35.03 32.85 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2dm2 s PRO 38 N 3.41 2.70 -0.28 1.97 0.04 -1.26 -4.96 135.00 136.63 2dm2 s PRO 38 Ca 0.72 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2dm2 s PRO 38 Cb -0.92 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2dm2 s PRO 38 CO 0.42 -1.32 1.45 0.15 0.04 0.00 0.00 177.00 177.73 2dm2 s LYS 39 N -4.26 3.83 0.05 4.56 1.02 -0.55 -4.67 119.74 119.72 2dm2 s LYS 39 Ca 0.66 1.39 -0.22 0.00 0.02 0.00 0.00 55.97 57.82 2dm2 s LYS 39 Cb -0.20 -3.96 -0.06 0.00 -0.52 0.00 0.00 37.83 33.09 2dm2 s LYS 39 CO 0.44 -1.24 0.65 0.42 -0.92 0.00 0.00 175.35 174.70 2dm2 s ILE 40 N 4.85 4.75 -0.04 2.17 -1.09 -1.26 -1.50 121.20 129.08 2dm2 s ILE 40 Ca 0.63 1.38 -0.01 0.00 -2.23 0.00 0.00 60.65 60.43 2dm2 s ILE 40 Cb -0.20 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.72 2dm2 s ILE 40 CO 0.27 0.46 0.03 -0.31 -1.23 0.00 0.00 174.94 174.15 2dm2 s TYR 41 N -0.54 0.19 -0.26 3.97 2.02 -1.17 -5.03 117.35 116.53 2dm2 s TYR 41 Ca 0.33 0.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 2dm2 s TYR 41 Cb -0.20 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2dm2 s TYR 41 CO 0.20 -0.16 0.20 -1.58 -1.57 0.00 0.00 175.55 172.64 2dm2 s TRP 42 N 1.56 3.27 -0.18 2.71 0.52 -1.26 -2.72 118.94 122.84 2dm2 s TRP 42 Ca -0.03 0.22 -0.03 0.00 0.02 0.00 0.00 56.10 56.28 2dm2 s TRP 42 Cb -0.13 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 2dm2 s TRP 42 CO -0.03 -0.05 -0.05 -0.06 0.02 0.00 0.00 176.95 176.78 2dm2 s PHE 43 N 1.43 2.96 -0.37 -1.98 0.08 0.19 -2.58 117.98 117.72 2dm2 s PHE 43 Ca 0.08 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 2dm2 s PHE 43 Cb -0.15 -2.01 0.09 0.00 -0.57 0.00 0.00 43.02 40.39 2dm2 s PHE 43 CO 0.08 -0.27 0.13 0.21 -0.10 0.00 0.00 175.22 175.27 2dm2 s LYS 44 N 0.83 2.11 -1.38 0.44 2.36 -0.04 -0.98 119.74 123.08 2dm2 s LYS 44 Ca -0.01 -1.64 -0.03 0.00 -2.55 0.00 0.00 55.97 51.73 2dm2 s LYS 44 Cb -0.15 -3.43 0.02 0.00 -1.05 0.00 0.00 37.83 33.22 2dm2 s LYS 44 CO 0.01 -0.91 0.73 -3.47 1.55 0.00 0.00 175.35 173.26 2dm2 n ASP 45 N 4.58 -1.89 -1.58 1.43 -0.08 -1.24 -1.69 116.55 116.08 2dm2 n ASP 45 Ca -0.05 -0.84 -0.10 0.00 -1.51 0.00 0.00 54.79 52.28 2dm2 n ASP 45 Cb 0.42 -3.86 0.02 0.00 2.34 0.00 0.00 41.12 40.04 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm2 n GLY 46 N -1.66 0.17 3.07 0.27 0.00 -1.26 -5.04 105.19 100.74 2dm2 n GLY 46 Ca -0.22 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2dm2 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s LYS 47 N -5.16 0.55 -0.32 1.61 -0.14 -0.68 -5.13 119.74 110.47 2dm2 s LYS 47 Ca 0.16 -0.79 -0.18 0.00 -1.36 0.00 0.00 55.97 53.80 2dm2 s LYS 47 Cb -0.07 -0.31 -0.01 0.00 -1.68 0.00 0.00 37.83 35.76 2dm2 s LYS 47 CO 0.20 0.05 0.53 -1.14 -0.76 0.00 0.00 175.35 174.23 2dm2 s GLN 48 N -1.69 3.80 -0.03 1.68 0.74 -1.26 -0.86 119.66 122.03 2dm2 s GLN 48 Ca -0.09 0.05 -0.25 0.00 0.05 0.00 0.00 55.36 55.12 2dm2 s GLN 48 Cb -0.09 -3.75 -0.04 0.00 1.10 0.00 0.00 33.01 30.23 2dm2 s GLN 48 CO 0.00 -0.55 0.78 0.42 -0.55 0.00 0.00 175.29 175.39 2dm2 s ILE 49 N 2.41 4.96 0.35 -2.34 1.01 -1.06 -4.98 121.20 121.54 2dm2 s ILE 49 Ca 0.20 1.62 -0.26 0.00 0.00 0.00 0.00 60.65 62.21 2dm2 s ILE 49 Cb -0.15 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 2dm2 s ILE 49 CO 0.12 0.25 1.02 -0.55 0.00 0.00 0.00 174.94 175.78 2dm2 s SER 50 N 0.72 7.04 -0.02 3.58 0.15 -1.26 -4.78 113.70 119.14 2dm2 s SER 50 Ca 0.41 2.02 -0.26 0.00 0.70 0.00 0.00 55.95 58.82 2dm2 s SER 50 Cb -0.19 -2.59 -0.20 0.00 -1.71 0.00 0.00 66.02 61.33 2dm2 s SER 50 CO 0.21 -0.29 1.27 1.55 1.20 0.00 0.00 173.24 177.18 2dm2 h PRO 51 N 2.98 0.00 -1.47 5.44 0.13 -1.96 -3.21 132.00 133.91 2dm2 h PRO 51 Ca -0.47 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2dm2 h PRO 51 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2dm2 h PRO 51 CO 0.64 0.49 0.44 1.63 -0.23 0.00 0.00 178.00 180.97 2dm2 n LYS 52 N -4.86 1.84 -2.16 0.86 4.76 -1.26 -4.19 118.16 113.15 2dm2 n LYS 52 Ca -0.08 -1.65 -0.30 0.00 -2.87 0.00 0.00 58.31 53.40 2dm2 n LYS 52 Cb 0.25 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2dm2 s SER 53 N 0.06 6.27 -0.16 4.39 0.15 -1.21 -5.03 113.70 118.17 2dm2 s SER 53 Ca 0.33 1.27 -0.15 0.00 0.70 0.00 0.00 55.95 58.10 2dm2 s SER 53 Cb 0.26 -2.40 -0.12 0.00 -1.71 0.00 0.00 66.02 62.05 2dm2 s SER 53 CO -0.00 -0.75 0.12 0.44 1.20 0.00 0.00 173.24 174.25 2dm2 h ASP 54 N -0.03 0.00 -0.90 5.45 3.32 -1.92 -3.38 116.42 118.96 2dm2 h ASP 54 Ca -0.45 -0.32 0.18 0.00 0.02 0.00 0.00 57.03 56.45 2dm2 h ASP 54 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 2dm2 h ASP 54 CO 0.62 1.02 0.47 -0.74 -1.72 0.00 0.00 179.24 178.89 2dm2 h HIS 55 N -1.00 0.81 -3.44 4.55 2.76 -1.96 -3.41 115.15 113.46 2dm2 h HIS 55 Ca -0.13 0.04 -0.66 0.00 -2.20 0.00 0.00 60.37 57.42 2dm2 h HIS 55 Cb 0.79 -0.22 -0.14 0.00 1.55 0.00 0.00 27.41 29.38 2dm2 h HIS 55 CO -0.00 0.13 -0.71 0.71 -1.30 0.00 0.00 177.93 176.76 2dm2 s TYR 56 N -5.92 2.83 -0.33 5.26 2.02 -1.26 -4.13 117.35 115.83 2dm2 s TYR 56 Ca -0.12 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 2dm2 s TYR 56 Cb 0.23 -1.46 0.10 0.00 -0.40 0.00 0.00 41.96 40.43 2dm2 s TYR 56 CO 0.78 0.45 0.10 0.99 -1.57 0.00 0.00 175.55 176.30 2dm2 s THR 57 N -1.29 1.29 -0.29 -0.71 2.01 -0.43 -4.22 115.64 112.00 2dm2 s THR 57 Ca 0.23 -1.74 -0.17 0.00 0.31 0.00 0.00 61.69 60.32 2dm2 s THR 57 Cb -0.11 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2dm2 s THR 57 CO 0.16 -0.67 0.47 -0.63 -0.69 0.00 0.00 174.62 173.25 2dm2 s ILE 58 N 1.33 5.08 -0.31 1.82 1.01 -1.26 -2.30 121.20 126.57 2dm2 s ILE 58 Ca 0.11 0.59 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 2dm2 s ILE 58 Cb -0.18 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.50 2dm2 s ILE 58 CO -0.19 0.00 0.02 -1.10 0.00 0.00 0.00 174.94 173.67 2dm2 s GLN 59 N 2.26 2.49 -0.27 2.79 -1.52 -1.09 -4.98 119.66 119.34 2dm2 s GLN 59 Ca 0.18 -1.23 -0.18 0.00 -1.95 0.00 0.00 55.36 52.18 2dm2 s GLN 59 Cb -0.16 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.37 2dm2 s GLN 59 CO 0.11 -0.62 0.53 0.50 -0.25 0.00 0.00 175.29 175.56 2dm2 s ARG 60 N 1.29 4.05 0.75 2.91 3.52 -1.26 -3.75 118.95 126.45 2dm2 s ARG 60 Ca -0.04 0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.82 2dm2 s ARG 60 Cb -0.20 -3.66 0.10 0.00 -1.56 0.00 0.00 34.95 29.64 2dm2 s ARG 60 CO -0.00 -0.38 1.06 -0.51 -0.81 0.00 0.00 175.30 174.66 2dm2 s ASP 61 N 1.55 4.39 -0.02 -2.12 1.11 -1.16 -5.01 116.67 115.41 2dm2 s ASP 61 Ca 0.22 0.20 -0.20 0.00 0.18 0.00 0.00 52.55 52.95 2dm2 s ASP 61 Cb -0.16 -0.68 -0.12 0.00 1.07 0.00 0.00 42.92 43.04 2dm2 s ASP 61 CO 0.09 -1.86 0.84 -0.07 1.18 0.00 0.00 175.17 175.35 2dm2 h LEU 62 N -0.76 -0.46 -0.98 1.23 3.38 -1.97 -3.24 115.31 112.52 2dm2 h LEU 62 Ca -0.42 -0.08 0.33 0.00 0.09 0.00 0.00 57.88 57.80 2dm2 h LEU 62 Cb 1.29 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 41.99 2dm2 h LEU 62 CO 0.51 -0.02 0.35 0.44 0.09 0.00 0.00 178.44 179.80 2dm2 h ASP 63 N -1.06 0.06 0.00 -0.43 3.32 -2.04 -3.44 116.42 112.84 2dm2 h ASP 63 Ca -0.06 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2dm2 h ASP 63 Cb 0.51 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.37 2dm2 h ASP 63 CO 0.09 -0.32 0.00 0.61 -1.72 0.00 0.00 179.24 177.90 2dm2 n GLY 64 N -1.35 0.95 3.36 2.75 0.00 -1.22 -5.10 105.19 104.57 2dm2 n GLY 64 Ca 0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 2dm2 n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s THR 65 N -1.69 3.22 0.19 2.61 2.01 -1.26 -4.05 115.64 116.67 2dm2 s THR 65 Ca 0.00 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 2dm2 s THR 65 Cb 0.00 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 2dm2 s THR 65 CO 0.00 0.49 0.46 0.00 -0.69 0.00 0.00 174.62 174.88 2dm2 s SER 67 N -2.51 -0.50 -0.24 0.00 1.04 -1.25 -2.88 113.70 107.36 2dm2 s SER 67 Ca 0.44 1.11 -0.08 0.00 0.48 0.00 0.00 55.95 57.89 2dm2 s SER 67 Cb -0.12 1.62 -0.04 0.00 0.10 0.00 0.00 66.02 67.58 2dm2 s SER 67 CO 0.24 -0.23 0.10 -0.22 0.98 0.00 0.00 173.24 174.10 2dm2 s LEU 68 N 2.69 3.64 -0.10 2.42 2.96 -0.64 -2.67 118.68 126.99 2dm2 s LEU 68 Ca -0.01 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2dm2 s LEU 68 Cb -0.12 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2dm2 s LEU 68 CO -0.15 0.00 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.43 2dm2 s HIS 69 N 1.41 2.68 -0.33 5.38 5.65 -0.97 -1.20 115.29 127.90 2dm2 s HIS 69 Ca 0.06 -0.64 0.04 0.00 0.25 0.00 0.00 55.06 54.76 2dm2 s HIS 69 Cb -0.15 -1.74 0.10 0.00 -1.18 0.00 0.00 32.58 29.61 2dm2 s HIS 69 CO 0.05 -0.18 0.04 0.99 -0.65 0.00 0.00 174.74 174.99 2dm2 s THR 70 N 0.06 2.17 0.35 0.89 2.01 -0.58 -1.31 115.64 119.24 2dm2 s THR 70 Ca -0.07 -2.24 0.07 0.00 0.31 0.00 0.00 61.69 59.76 2dm2 s THR 70 Cb -0.15 -2.59 0.31 0.00 0.01 0.00 0.00 72.50 70.08 2dm2 s THR 70 CO 0.05 -0.57 1.89 0.00 -0.69 0.00 0.00 174.62 175.29 2dm2 h THR 71 N 6.61 0.89 -3.32 -0.82 1.03 -1.87 -2.93 112.91 112.50 2dm2 h THR 71 Ca -0.06 -0.25 -0.55 0.00 -0.01 0.00 0.00 66.41 65.54 2dm2 h THR 71 Cb 1.02 0.09 -0.38 0.00 -1.07 0.00 0.00 68.15 67.81 2dm2 h THR 71 CO 0.51 0.13 -0.79 0.00 -0.01 0.00 0.00 175.52 175.37 2dm2 s ALA 72 N -5.70 1.45 -0.39 0.00 0.00 -1.26 -4.20 121.76 111.65 2dm2 s ALA 72 Ca -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2dm2 s ALA 72 Cb 0.21 -1.11 0.09 0.00 0.00 0.00 0.00 23.12 22.32 2dm2 s ALA 72 CO 0.79 -0.77 0.18 -1.54 0.00 0.00 0.00 175.76 174.42 2dm2 s SER 73 N 1.65 5.27 0.59 0.00 1.04 -1.25 -4.98 113.70 116.02 2dm2 s SER 73 Ca 0.01 -1.78 -0.06 0.00 0.48 0.00 0.00 55.95 54.59 2dm2 s SER 73 Cb -0.15 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2dm2 s SER 73 CO -0.08 -0.49 0.90 0.42 0.98 0.00 0.00 173.24 174.97 2dm2 s THR 74 N 1.22 3.75 0.28 2.02 -4.23 -1.26 -0.61 115.64 116.82 2dm2 s THR 74 Ca 0.05 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2dm2 s THR 74 Cb -0.22 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.44 2dm2 s THR 74 CO -0.02 -0.51 1.64 -0.07 -0.54 0.00 0.00 174.62 175.12 2dm2 h LEU 75 N -0.17 -0.08 -0.55 4.79 3.38 -1.97 0.81 115.31 121.52 2dm2 h LEU 75 Ca -0.45 0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.83 2dm2 h LEU 75 Cb 1.25 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 42.18 2dm2 h LEU 75 CO 0.61 -0.17 -0.19 0.44 0.09 0.00 0.00 178.44 179.22 2dm2 h ASP 76 N 0.18 -0.67 -0.83 -0.43 3.32 -1.96 -0.50 116.42 115.53 2dm2 h ASP 76 Ca 0.53 0.18 0.25 0.00 0.02 0.00 0.00 57.03 58.01 2dm2 h ASP 76 Cb 1.05 0.40 -0.15 0.00 0.22 0.00 0.00 39.33 40.84 2dm2 h ASP 76 CO -0.67 -0.22 0.10 -0.67 -1.72 0.00 0.00 179.24 176.05 2dm2 n ASP 77 N -5.41 -0.03 -4.62 6.45 2.03 0.28 -4.45 116.55 110.80 2dm2 n ASP 77 Ca 0.05 1.40 -0.60 0.00 0.52 0.00 0.00 54.79 56.16 2dm2 n ASP 77 Cb 0.32 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 2dm2 n ASP 77 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2dm2 n ASP 78 N -5.12 1.04 0.00 1.67 5.75 -0.20 -4.72 116.55 114.97 2dm2 n ASP 78 Ca 0.22 1.15 0.00 0.00 -0.01 0.00 0.00 54.79 56.14 2dm2 n ASP 78 Cb 0.72 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 2dm2 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dm2 n GLY 79 N 2.83 -0.72 2.67 6.12 0.00 -1.26 -5.01 105.19 109.82 2dm2 n GLY 79 Ca 0.24 0.03 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2dm2 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s ASN 80 N -4.00 1.66 0.16 1.61 2.20 -1.26 -2.74 114.94 112.57 2dm2 s ASN 80 Ca 0.00 -0.23 -0.26 0.00 -0.94 0.00 0.00 52.86 51.43 2dm2 s ASN 80 Cb 0.00 -0.09 -0.08 0.00 -2.00 0.00 0.00 41.25 39.08 2dm2 s ASN 80 CO 0.00 -0.30 0.81 -0.31 -2.94 0.00 0.00 177.10 174.36 2dm2 s TYR 81 N 2.18 3.90 -0.07 1.54 1.51 -0.71 -3.59 117.35 122.11 2dm2 s TYR 81 Ca 0.04 1.68 -0.00 0.00 -1.01 0.00 0.00 57.07 57.77 2dm2 s TYR 81 Cb -0.14 -2.83 0.02 0.00 -0.11 0.00 0.00 41.96 38.91 2dm2 s TYR 81 CO -0.07 0.46 -0.05 0.99 -1.11 0.00 0.00 175.55 175.78 2dm2 s THR 82 N -0.97 0.68 -0.07 -0.71 2.01 -0.15 -0.80 115.64 115.62 2dm2 s THR 82 Ca 0.38 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2dm2 s THR 82 Cb -0.23 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.55 2dm2 s THR 82 CO 0.27 0.29 -0.18 -0.51 -0.69 0.00 0.00 174.62 173.81 2dm2 s ILE 83 N 1.47 1.53 -0.06 1.82 2.07 -1.22 0.56 121.20 127.38 2dm2 s ILE 83 Ca -0.01 -0.72 0.04 0.00 -1.41 0.00 0.00 60.65 58.55 2dm2 s ILE 83 Cb -0.13 -1.35 -0.00 0.00 0.13 0.00 0.00 42.46 41.10 2dm2 s ILE 83 CO -0.04 0.44 -0.19 -0.32 -1.91 0.00 0.00 174.94 172.92 2dm2 s MET 84 N 0.43 2.12 -0.06 3.50 -2.45 -1.10 -0.14 119.30 121.59 2dm2 s MET 84 Ca -0.14 -0.69 -0.11 0.00 -1.25 0.00 0.00 55.69 53.50 2dm2 s MET 84 Cb -0.16 -1.77 -0.05 0.00 1.25 0.00 0.00 34.83 34.10 2dm2 s MET 84 CO 0.05 0.24 0.27 0.00 1.05 0.00 0.00 175.02 176.63 2dm2 s ALA 85 N 0.11 3.79 -0.20 4.11 0.00 0.76 -3.06 121.76 127.27 2dm2 s ALA 85 Ca -0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 2dm2 s ALA 85 Cb -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2dm2 s ALA 85 CO 0.04 0.56 0.04 0.00 0.00 0.00 0.00 175.76 176.40 2dm2 s ALA 86 N -1.06 3.24 -0.06 0.00 0.00 -0.56 -2.74 121.76 120.58 2dm2 s ALA 86 Ca 0.19 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.18 2dm2 s ALA 86 Cb -0.14 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.11 2dm2 s ALA 86 CO 0.09 -0.02 0.24 1.21 0.00 0.00 0.00 175.76 177.27 2dm2 s ASN 87 N 0.76 -0.19 0.00 0.00 3.04 -1.20 -1.48 114.94 115.87 2dm2 s ASN 87 Ca 0.02 0.28 0.07 0.00 0.04 0.00 0.00 52.86 53.28 2dm2 s ASN 87 Cb -0.14 0.41 0.43 0.00 -1.54 0.00 0.00 41.25 40.42 2dm2 s ASN 87 CO 0.02 -0.21 0.89 -0.81 -3.04 0.00 0.00 177.10 173.95 2dm2 n PRO 88 N 2.35 0.49 0.00 0.43 -0.04 -1.26 -1.95 135.00 135.02 2dm2 n PRO 88 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dm2 n PRO 88 Cb 0.57 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2dm2 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dm2 n GLN 89 N -0.73 3.79 0.00 0.54 1.13 -1.26 -5.10 117.38 115.75 2dm2 n GLN 89 Ca 0.05 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2dm2 n GLN 89 Cb 0.02 -0.38 0.00 0.00 0.11 0.00 0.00 30.24 30.00 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dm2 n GLY 90 N 0.55 3.90 3.24 1.08 0.00 -0.82 -4.52 105.19 108.62 2dm2 n GLY 90 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 2dm2 n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm2 s ARG 91 N -1.57 3.13 0.38 1.61 0.52 -1.26 -3.25 118.95 118.51 2dm2 s ARG 91 Ca 0.00 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 2dm2 s ARG 91 Cb 0.00 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 2dm2 s ARG 91 CO 0.00 0.09 0.25 0.96 0.02 0.00 0.00 175.30 176.62 2dm2 s ILE 92 N 0.59 2.87 -0.04 1.52 -4.36 -1.11 -4.92 121.20 115.76 2dm2 s ILE 92 Ca -0.11 -1.52 -0.08 0.00 -0.26 0.00 0.00 60.65 58.68 2dm2 s ILE 92 Cb -0.16 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.53 2dm2 s ILE 92 CO 0.03 -0.09 0.19 -0.94 0.24 0.00 0.00 174.94 174.38 2dm2 s SER 93 N -3.98 -0.12 0.51 4.36 1.04 -1.26 -0.17 113.70 114.09 2dm2 s SER 93 Ca 0.42 0.14 0.01 0.00 0.48 0.00 0.00 55.95 57.00 2dm2 s SER 93 Cb -0.02 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2dm2 s SER 93 CO 0.25 -0.23 0.01 0.00 0.98 0.00 0.00 173.24 174.25 2dm2 s THR 95 N -2.88 0.11 0.12 0.00 2.01 -1.26 -3.44 115.64 110.30 2dm2 s THR 95 Ca 0.05 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 2dm2 s THR 95 Cb 0.01 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.86 2dm2 s THR 95 CO 0.03 -0.51 0.35 -0.83 -0.69 0.00 0.00 174.62 172.97 2dm2 s GLY 96 N -1.82 -0.15 0.03 4.40 0.00 0.02 -4.50 107.32 105.31 2dm2 s GLY 96 Ca -0.09 -0.23 0.03 0.00 0.00 0.00 0.00 44.72 44.43 2dm2 s GLY 96 CO -0.02 -0.45 -0.09 -1.60 0.00 0.00 0.00 173.10 170.94 2dm2 s ARG 97 N -3.83 0.62 0.15 2.90 6.06 -1.26 -1.74 118.95 121.85 2dm2 s ARG 97 Ca 0.04 -0.65 0.08 0.00 -2.50 0.00 0.00 55.73 52.70 2dm2 s ARG 97 Cb 0.02 -0.51 -0.04 0.00 0.06 0.00 0.00 34.95 34.49 2dm2 s ARG 97 CO -0.11 0.12 -0.18 -0.51 -2.50 0.00 0.00 175.30 172.12 2dm2 s LEU 98 N -1.19 2.42 -0.29 -0.88 1.43 -1.11 -4.18 118.68 114.89 2dm2 s LEU 98 Ca -0.04 -0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 52.20 2dm2 s LEU 98 Cb -0.08 -0.78 0.09 0.00 0.03 0.00 0.00 46.19 45.46 2dm2 s LEU 98 CO 0.01 -0.05 0.09 -0.04 0.23 0.00 0.00 176.35 176.59 2dm2 s MET 99 N -2.69 0.60 -0.34 1.70 -1.94 -1.24 -4.19 119.30 111.20 2dm2 s MET 99 Ca 0.14 -0.85 -0.10 0.00 -1.71 0.00 0.00 55.69 53.17 2dm2 s MET 99 Cb -0.06 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 34.96 2dm2 s MET 99 CO 0.06 -0.93 0.17 0.08 -0.01 0.00 0.00 175.02 174.38 2dm2 s VAL 100 N 1.76 4.49 -0.27 -6.03 1.01 -1.26 -2.38 120.40 117.73 2dm2 s VAL 100 Ca 0.08 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 2dm2 s VAL 100 Cb -0.17 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2dm2 s VAL 100 CO -0.25 -0.08 0.41 -1.10 0.00 0.00 0.00 175.10 174.08 2dm2 s GLN 101 N 1.57 4.01 0.21 2.72 1.11 -1.13 -4.78 119.66 123.37 2dm2 s GLN 101 Ca 0.03 0.09 -0.32 0.00 0.01 0.00 0.00 55.36 55.18 2dm2 s GLN 101 Cb -0.18 -3.66 -0.15 0.00 -1.01 0.00 0.00 33.01 28.01 2dm2 s GLN 101 CO 0.06 -0.31 1.23 0.00 0.01 0.00 0.00 175.29 176.28 2dm2 n ALA 102 N 5.39 -0.03 -3.60 6.09 0.00 -1.26 -0.45 120.51 126.65 2dm2 n ALA 102 Ca -0.07 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.54 2dm2 n ALA 102 Cb 0.50 -2.11 -0.17 0.00 0.00 0.00 0.00 19.45 17.67 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm2 s VAL 103 N -0.28 -0.07 -0.93 0.00 0.11 -1.26 -4.81 120.40 113.16 2dm2 s VAL 103 Ca 0.69 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.48 2dm2 s VAL 103 Cb -0.76 -0.64 0.26 0.00 -1.53 0.00 0.00 36.38 33.72 2dm2 s VAL 103 CO 0.53 -0.34 1.03 -3.20 -3.33 0.00 0.00 175.10 169.79 2dm2 n ASN 104 N 5.27 4.96 -4.64 3.54 2.85 -1.26 -4.94 115.26 121.04 2dm2 n ASN 104 Ca -0.07 -3.27 -0.65 0.00 -0.11 0.00 0.00 54.58 50.48 2dm2 n ASN 104 Cb 0.48 -1.08 -0.10 0.00 1.24 0.00 0.00 39.78 40.32 2dm2 n ASN 104 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2dm2 n SER 105 N 1.75 1.28 -1.16 1.20 7.64 -1.26 -4.86 113.62 118.21 2dm2 n SER 105 Ca 0.25 1.05 -0.01 0.00 1.01 0.00 0.00 58.87 61.18 2dm2 n SER 105 Cb 0.37 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2dm2 n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm2 n GLY 106 N 4.79 1.88 3.71 0.23 0.00 -1.26 -5.17 105.19 109.38 2dm2 n GLY 106 Ca 0.36 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 2dm2 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm2 s PRO 107 N -2.01 1.14 0.00 1.61 0.04 -1.26 -5.02 135.00 129.50 2dm2 s PRO 107 Ca 0.01 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2dm2 s PRO 107 Cb -0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2dm2 s PRO 107 CO 0.01 -2.31 0.00 0.45 0.04 0.00 0.00 177.00 175.19 2dm2 n SER 108 N -3.92 0.00 -4.75 6.66 2.88 -1.26 -5.06 113.62 108.16 2dm2 n SER 108 Ca 0.07 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.20 2dm2 n SER 108 Cb 0.56 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dm2 s SER 109 N -5.00 7.18 0.00 -3.46 0.15 -1.26 -5.36 113.70 105.94 2dm2 s SER 109 Ca 0.00 2.30 0.00 0.00 0.70 0.00 0.00 55.95 58.95 2dm2 s SER 109 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 2dm2 s SER 109 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81