#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 n SER 2 N 0.00 1.96 -2.20 1.61 3.41 -1.26 -4.84 113.62 112.30 2dm2 n SER 2 Ca 0.00 1.12 -0.22 0.00 -0.26 0.00 0.00 58.87 59.51 2dm2 n SER 2 Cb 0.00 -1.27 -0.01 0.00 -0.26 0.00 0.00 64.21 62.67 2dm2 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dm2 n SER 3 N 2.51 6.53 -4.78 4.04 2.88 -1.26 -4.97 113.62 118.57 2dm2 n SER 3 Ca 0.16 -3.16 -0.34 0.00 -1.33 0.00 0.00 58.87 54.20 2dm2 n SER 3 Cb 0.24 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2dm2 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm2 s GLY 4 N 0.17 2.49 -0.37 0.46 0.00 -1.26 -5.02 107.32 103.79 2dm2 s GLY 4 Ca 0.46 0.70 0.01 0.00 0.00 0.00 0.00 44.72 45.89 2dm2 s GLY 4 CO -0.11 1.04 0.13 -0.45 0.00 0.00 0.00 173.10 173.71 2dm2 s SER 5 N -2.02 5.02 -0.01 1.64 0.15 -1.26 -5.07 113.70 112.14 2dm2 s SER 5 Ca 0.70 -2.09 0.00 0.00 0.70 0.00 0.00 55.95 55.26 2dm2 s SER 5 Cb -0.21 -1.73 0.01 0.00 -1.71 0.00 0.00 66.02 62.38 2dm2 s SER 5 CO 0.28 -0.46 0.01 -0.94 1.20 0.00 0.00 173.24 173.33 2dm2 s SER 6 N 1.37 0.09 0.00 5.45 1.04 -1.26 -5.01 113.70 115.38 2dm2 s SER 6 Ca 0.10 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2dm2 s SER 6 Cb -0.21 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2dm2 s SER 6 CO -0.06 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2dm2 n GLY 7 N 3.61 0.00 3.61 7.32 0.00 -1.26 -5.16 105.19 113.31 2dm2 n GLY 7 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 0.73 0.49 4.61 0.00 -1.26 -4.13 121.76 122.20 2dm2 s ALA 8 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 2dm2 s ALA 8 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 2dm2 s ALA 8 CO 0.00 -3.07 1.15 -1.25 0.00 0.00 0.00 175.76 172.59 2dm2 s PRO 9 N -4.66 3.62 -0.15 0.00 0.04 -1.26 -4.39 135.00 128.21 2dm2 s PRO 9 Ca 0.66 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.30 2dm2 s PRO 9 Cb -0.22 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.09 2dm2 s PRO 9 CO 0.60 -0.65 0.38 -0.59 0.04 0.00 0.00 177.00 176.78 2dm2 s PHE 10 N -1.63 -0.45 -0.54 0.56 -0.71 -1.23 -4.74 117.98 109.24 2dm2 s PHE 10 Ca 0.67 1.07 -0.28 0.00 -1.04 0.00 0.00 56.93 57.35 2dm2 s PHE 10 Cb -0.27 0.16 0.02 0.00 -1.21 0.00 0.00 43.02 41.73 2dm2 s PHE 10 CO 0.32 -0.23 1.32 -0.06 -1.34 0.00 0.00 175.22 175.23 2dm2 s PHE 11 N 0.49 2.44 0.18 3.49 0.08 -1.26 -1.16 117.98 122.25 2dm2 s PHE 11 Ca -0.02 0.50 -0.01 0.00 0.12 0.00 0.00 56.93 57.51 2dm2 s PHE 11 Cb -0.04 -4.43 0.07 0.00 -0.57 0.00 0.00 43.02 38.05 2dm2 s PHE 11 CO -0.03 -1.80 1.44 0.93 -0.10 0.00 0.00 175.22 175.67 2dm2 h GLU 12 N 10.38 0.39 -2.86 0.44 4.39 -0.89 -3.39 114.58 123.04 2dm2 h GLU 12 Ca -0.26 -0.31 -0.61 0.00 0.34 0.00 0.00 59.36 58.52 2dm2 h GLU 12 Cb 1.08 0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 29.39 2dm2 h GLU 12 CO 1.17 0.95 -0.76 1.41 -1.16 0.00 0.00 179.01 180.62 2dm2 s MET 13 N -3.63 1.37 0.98 2.33 1.75 -1.21 -4.93 119.30 115.97 2dm2 s MET 13 Ca -0.05 -2.22 -0.15 0.00 -1.25 0.00 0.00 55.69 52.02 2dm2 s MET 13 Cb 0.11 -2.29 -0.02 0.00 2.84 0.00 0.00 34.83 35.47 2dm2 s MET 13 CO 0.84 -1.23 -0.03 1.63 -0.65 0.00 0.00 175.02 175.57 2dm2 n LYS 14 N 3.17 -0.30 -2.37 4.11 4.01 -1.26 -3.57 118.16 121.95 2dm2 n LYS 14 Ca 0.15 -0.06 -0.42 0.00 -0.51 0.00 0.00 58.31 57.46 2dm2 n LYS 14 Cb 0.37 -1.57 -0.03 0.00 -0.51 0.00 0.00 35.03 33.29 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2dm2 s LEU 15 N 1.77 4.33 0.36 -0.35 1.43 -1.26 -4.88 118.68 120.08 2dm2 s LEU 15 Ca 0.51 2.00 -0.03 0.00 -1.03 0.00 0.00 54.13 55.58 2dm2 s LEU 15 Cb -0.18 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 2dm2 s LEU 15 CO 0.72 -0.57 0.62 -0.75 0.23 0.00 0.00 176.35 176.60 2dm2 s LYS 16 N 1.67 3.55 -0.02 1.70 2.20 -1.26 -4.91 119.74 122.67 2dm2 s LYS 16 Ca 0.59 -0.07 -0.22 0.00 -0.36 0.00 0.00 55.97 55.91 2dm2 s LYS 16 Cb -0.29 -2.58 -0.05 0.00 -1.51 0.00 0.00 37.83 33.40 2dm2 s LYS 16 CO 0.27 0.08 0.65 -1.01 -0.36 0.00 0.00 175.35 174.97 2dm2 s HIS 17 N -2.35 3.65 -0.03 4.03 3.76 -1.26 -4.80 115.29 118.29 2dm2 s HIS 17 Ca 0.43 1.24 0.06 0.00 -0.15 0.00 0.00 55.06 56.64 2dm2 s HIS 17 Cb -0.10 -2.70 -0.01 0.00 1.11 0.00 0.00 32.58 30.88 2dm2 s HIS 17 CO 0.36 0.25 -0.19 0.71 -0.85 0.00 0.00 174.74 175.02 2dm2 s TYR 18 N 0.16 1.80 -0.22 1.40 2.02 -1.26 -5.12 117.35 116.13 2dm2 s TYR 18 Ca 0.34 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2dm2 s TYR 18 Cb -0.18 -1.17 0.04 0.00 -0.40 0.00 0.00 41.96 40.24 2dm2 s TYR 18 CO 0.18 -0.08 -0.16 0.21 -1.57 0.00 0.00 175.55 174.13 2dm2 s LYS 19 N -0.30 2.64 0.31 -0.62 2.20 -1.26 -3.41 119.74 119.30 2dm2 s LYS 19 Ca 0.03 -1.06 0.04 0.00 -0.36 0.00 0.00 55.97 54.63 2dm2 s LYS 19 Cb -0.09 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.48 2dm2 s LYS 19 CO 0.00 -0.37 0.20 0.96 -0.36 0.00 0.00 175.35 175.78 2dm2 s ILE 20 N 1.21 0.18 0.53 5.43 -4.36 -1.01 -5.03 121.20 118.14 2dm2 s ILE 20 Ca -0.01 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.43 2dm2 s ILE 20 Cb -0.16 -2.48 0.05 0.00 1.25 0.00 0.00 42.46 41.12 2dm2 s ILE 20 CO -0.09 0.00 0.74 -0.36 0.24 0.00 0.00 174.94 175.46 2dm2 s PHE 21 N -3.56 2.33 0.16 1.37 0.40 -1.26 -3.25 117.98 114.16 2dm2 s PHE 21 Ca 0.37 -0.36 -0.31 0.00 -0.60 0.00 0.00 56.93 56.03 2dm2 s PHE 21 Cb 0.04 -2.53 -0.09 0.00 0.51 0.00 0.00 43.02 40.95 2dm2 s PHE 21 CO 0.21 -0.89 1.48 -2.00 0.70 0.00 0.00 175.22 174.71 2dm2 s GLU 22 N -4.64 4.27 0.00 0.44 -6.30 0.10 -2.71 118.70 109.85 2dm2 s GLU 22 Ca 0.59 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 55.30 2dm2 s GLU 22 Cb -0.08 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.86 2dm2 s GLU 22 CO 0.37 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2dm2 n GLY 23 N 3.42 2.98 3.76 -1.50 0.00 0.23 -4.77 105.19 109.32 2dm2 n GLY 23 Ca 0.12 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dm2 n MET 24 N 0.00 2.53 -1.24 1.61 2.81 -1.10 -4.00 117.12 117.73 2dm2 n MET 24 Ca 0.00 0.89 -0.30 0.00 -1.81 0.00 0.00 57.70 56.47 2dm2 n MET 24 Cb 0.00 -2.62 0.11 0.00 -0.71 0.00 0.00 33.22 30.00 2dm2 n MET 24 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2dm2 s PRO 25 N -2.14 1.85 0.03 0.03 0.04 -1.26 -3.96 135.00 129.58 2dm2 s PRO 25 Ca 0.55 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2dm2 s PRO 25 Cb -0.48 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2dm2 s PRO 25 CO 0.62 -1.89 -0.02 0.54 0.04 0.00 0.00 177.00 176.30 2dm2 s VAL 26 N -2.92 0.13 -0.02 -0.36 0.11 -0.82 -4.98 120.40 111.54 2dm2 s VAL 26 Ca 0.62 -1.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 2dm2 s VAL 26 Cb -0.17 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2dm2 s VAL 26 CO 0.56 -0.60 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.80 2dm2 s THR 27 N -1.97 0.46 -0.28 5.04 2.01 -1.26 -1.23 115.64 118.41 2dm2 s THR 27 Ca -0.11 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2dm2 s THR 27 Cb -0.06 -0.44 0.08 0.00 0.01 0.00 0.00 72.50 72.09 2dm2 s THR 27 CO -0.03 0.17 0.00 -0.36 -0.69 0.00 0.00 174.62 173.71 2dm2 s PHE 28 N 0.34 2.80 -0.18 4.92 0.08 0.43 -4.98 117.98 121.38 2dm2 s PHE 28 Ca -0.04 -2.21 -0.07 0.00 0.12 0.00 0.00 56.93 54.73 2dm2 s PHE 28 Cb -0.08 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 2dm2 s PHE 28 CO -0.00 -0.86 0.05 0.99 -0.10 0.00 0.00 175.22 175.30 2dm2 s THR 29 N 1.25 4.71 -0.12 0.64 2.01 -1.26 -0.96 115.64 121.90 2dm2 s THR 29 Ca 0.02 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2dm2 s THR 29 Cb -0.19 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.24 2dm2 s THR 29 CO -0.10 0.46 0.30 0.00 -0.69 0.00 0.00 174.62 174.59 2dm2 s ARG 31 N 0.45 3.82 -0.03 0.00 0.52 -1.23 -3.40 118.95 119.07 2dm2 s ARG 31 Ca -0.02 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2dm2 s ARG 31 Cb -0.04 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2dm2 s ARG 31 CO -0.02 -0.05 -0.15 0.08 0.02 0.00 0.00 175.30 175.18 2dm2 s VAL 32 N 1.28 3.03 0.51 3.52 1.01 -1.26 -0.13 120.40 128.36 2dm2 s VAL 32 Ca 0.05 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2dm2 s VAL 32 Cb -0.15 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2dm2 s VAL 32 CO 0.04 0.53 0.48 0.00 0.00 0.00 0.00 175.10 176.16 2dm2 s ALA 33 N -0.78 4.37 0.00 5.51 0.00 -0.30 -4.91 121.76 125.64 2dm2 s ALA 33 Ca 0.12 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2dm2 s ALA 33 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2dm2 s ALA 33 CO 0.02 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.73 2dm2 n GLY 34 N -1.79 3.90 3.36 0.00 0.00 -1.26 -3.56 105.19 105.83 2dm2 n GLY 34 Ca 0.04 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.51 0.94 1.61 0.01 -1.26 -3.86 114.94 111.87 2dm2 s ASN 35 Ca 0.00 1.10 -0.12 0.00 -0.71 0.00 0.00 52.86 53.13 2dm2 s ASN 35 Cb 0.00 1.36 0.15 0.00 0.41 0.00 0.00 41.25 43.17 2dm2 s ASN 35 CO 0.00 -0.22 1.09 -2.16 -1.51 0.00 0.00 177.10 174.30 2dm2 s PRO 36 N 2.29 0.92 -0.38 -0.60 0.04 -1.26 -4.93 135.00 131.07 2dm2 s PRO 36 Ca -0.05 0.70 -0.43 0.00 0.04 0.00 0.00 61.00 61.26 2dm2 s PRO 36 Cb -0.11 -1.78 -0.18 0.00 0.04 0.00 0.00 34.50 32.48 2dm2 s PRO 36 CO -0.14 -2.44 1.67 0.36 0.04 0.00 0.00 177.00 176.49 2dm2 n LYS 37 N -4.00 0.60 -2.05 4.56 0.00 -1.25 -4.89 118.16 111.13 2dm2 n LYS 37 Ca 0.06 0.22 -0.34 0.00 -0.00 0.00 0.00 58.31 58.25 2dm2 n LYS 37 Cb 0.56 -1.82 0.02 0.00 -0.00 0.00 0.00 35.03 33.79 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dm2 s PRO 38 N 3.26 3.12 -0.26 -1.58 0.04 -1.26 -4.96 135.00 133.36 2dm2 s PRO 38 Ca 1.01 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2dm2 s PRO 38 Cb -1.27 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 2dm2 s PRO 38 CO 0.73 -1.02 1.41 0.15 0.04 0.00 0.00 177.00 178.31 2dm2 s LYS 39 N -3.63 3.91 0.01 4.56 -0.14 -0.62 -4.68 119.74 119.16 2dm2 s LYS 39 Ca 0.70 1.44 -0.18 0.00 -1.36 0.00 0.00 55.97 56.57 2dm2 s LYS 39 Cb -0.22 -3.92 -0.06 0.00 -1.68 0.00 0.00 37.83 31.94 2dm2 s LYS 39 CO 0.33 -1.13 0.53 0.42 -0.76 0.00 0.00 175.35 174.74 2dm2 s ILE 40 N 4.56 4.90 -0.05 2.17 -1.09 -1.26 -1.64 121.20 128.79 2dm2 s ILE 40 Ca 0.61 1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 60.13 2dm2 s ILE 40 Cb -0.20 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2dm2 s ILE 40 CO 0.24 0.50 0.03 -0.31 -1.23 0.00 0.00 174.94 174.17 2dm2 s TYR 41 N -0.65 0.34 -0.15 3.97 2.02 -0.99 -5.02 117.35 116.87 2dm2 s TYR 41 Ca 0.28 0.05 -0.21 0.00 -0.37 0.00 0.00 57.07 56.82 2dm2 s TYR 41 Cb -0.18 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 2dm2 s TYR 41 CO 0.16 -0.23 0.62 -1.58 -1.57 0.00 0.00 175.55 172.95 2dm2 s TRP 42 N 1.86 3.44 -0.16 2.71 0.52 -1.26 -2.76 118.94 123.28 2dm2 s TRP 42 Ca 0.02 0.99 -0.02 0.00 0.02 0.00 0.00 56.10 57.11 2dm2 s TRP 42 Cb -0.12 -2.75 -0.01 0.00 -1.15 0.00 0.00 33.47 29.43 2dm2 s TRP 42 CO -0.04 -0.06 -0.10 -0.06 0.02 0.00 0.00 176.95 176.72 2dm2 s PHE 43 N 1.44 2.88 -0.44 -1.98 0.08 0.83 -2.94 117.98 117.84 2dm2 s PHE 43 Ca 0.30 -0.76 -0.07 0.00 0.12 0.00 0.00 56.93 56.51 2dm2 s PHE 43 Cb -0.16 -1.94 0.11 0.00 -0.57 0.00 0.00 43.02 40.45 2dm2 s PHE 43 CO 0.12 -0.34 0.28 0.21 -0.10 0.00 0.00 175.22 175.40 2dm2 s LYS 44 N 0.77 2.38 -0.70 0.44 2.47 -0.78 -1.26 119.74 123.06 2dm2 s LYS 44 Ca -0.04 -1.71 0.00 0.00 -1.56 0.00 0.00 55.97 52.66 2dm2 s LYS 44 Cb -0.15 -3.79 0.00 0.00 -1.46 0.00 0.00 37.83 32.43 2dm2 s LYS 44 CO 0.01 -1.10 0.00 -0.25 0.16 0.00 0.00 175.35 174.17 2dm2 n ASP 45 N 4.82 -2.40 0.00 1.43 9.92 -1.24 0.94 116.55 130.02 2dm2 n ASP 45 Ca -0.07 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2dm2 n ASP 45 Cb 0.41 -2.24 0.00 0.00 -0.64 0.00 0.00 41.12 38.65 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dm2 n GLY 46 N -0.45 1.18 2.86 0.44 0.00 -1.26 -5.08 105.19 102.89 2dm2 n GLY 46 Ca -0.08 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.74 1.24 -0.01 1.61 -0.14 0.27 -5.10 119.74 116.87 2dm2 s LYS 47 Ca 0.00 -0.83 -0.35 0.00 -1.36 0.00 0.00 55.97 53.43 2dm2 s LYS 47 Cb 0.00 -2.41 -0.14 0.00 -1.68 0.00 0.00 37.83 33.61 2dm2 s LYS 47 CO 0.00 -0.65 1.69 0.94 -0.76 0.00 0.00 175.35 176.57 2dm2 n GLN 48 N 4.80 1.89 -3.57 1.68 7.27 -1.26 -1.87 117.38 126.31 2dm2 n GLN 48 Ca -0.10 0.69 -0.38 0.00 0.07 0.00 0.00 57.00 57.28 2dm2 n GLN 48 Cb 0.45 -2.46 -0.06 0.00 2.41 0.00 0.00 30.24 30.58 2dm2 n GLN 48 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2dm2 s ILE 49 N 2.46 5.17 0.21 1.69 1.01 -1.15 -4.94 121.20 125.65 2dm2 s ILE 49 Ca 0.88 0.68 -0.26 0.00 0.00 0.00 0.00 60.65 61.95 2dm2 s ILE 49 Cb -0.78 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 37.97 2dm2 s ILE 49 CO 0.48 0.54 0.83 -0.55 0.00 0.00 0.00 174.94 176.25 2dm2 s SER 50 N -0.74 7.41 0.16 3.58 0.15 -1.26 -4.80 113.70 118.20 2dm2 s SER 50 Ca 0.21 1.72 -0.08 0.00 0.70 0.00 0.00 55.95 58.50 2dm2 s SER 50 Cb -0.15 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2dm2 s SER 50 CO 0.10 0.14 1.50 1.55 1.20 0.00 0.00 173.24 177.74 2dm2 h PRO 51 N 4.04 0.84 -0.03 5.44 0.13 -1.97 -2.77 132.00 137.68 2dm2 h PRO 51 Ca -0.47 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.22 2dm2 h PRO 51 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dm2 h PRO 51 CO 0.66 1.08 0.00 1.63 -0.23 0.00 0.00 178.00 181.14 2dm2 n LYS 52 N -4.05 0.98 -2.20 0.86 4.76 -1.26 -4.38 118.16 112.87 2dm2 n LYS 52 Ca -0.02 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.01 2dm2 n LYS 52 Cb 0.54 -1.01 -0.02 0.00 -1.84 0.00 0.00 35.03 32.69 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 -0.99 6.85 0.01 4.39 0.15 -1.05 -4.95 113.70 118.11 2dm2 s SER 53 Ca 0.00 2.58 -0.17 0.00 0.70 0.00 0.00 55.95 59.06 2dm2 s SER 53 Cb 0.00 -2.64 -0.35 0.00 -1.71 0.00 0.00 66.02 61.32 2dm2 s SER 53 CO 0.00 -0.47 0.96 0.44 1.20 0.00 0.00 173.24 175.38 2dm2 h ASP 54 N 3.41 0.77 -0.87 5.45 3.32 -1.90 -3.30 116.42 123.32 2dm2 h ASP 54 Ca -0.48 -0.93 0.18 0.00 0.02 0.00 0.00 57.03 55.82 2dm2 h ASP 54 Cb 1.22 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.46 2dm2 h ASP 54 CO 0.65 1.66 0.57 -0.74 -1.72 0.00 0.00 179.24 179.66 2dm2 h HIS 55 N 0.04 0.60 -4.21 4.55 2.76 -1.95 -3.41 115.15 113.54 2dm2 h HIS 55 Ca -0.24 0.02 -0.51 0.00 -2.20 0.00 0.00 60.37 57.44 2dm2 h HIS 55 Cb 2.07 -0.19 -0.28 0.00 1.55 0.00 0.00 27.41 30.57 2dm2 h HIS 55 CO 0.14 0.19 -0.82 0.71 -1.30 0.00 0.00 177.93 176.85 2dm2 s TYR 56 N -5.48 1.41 -0.34 5.26 2.02 -1.24 -3.91 117.35 115.06 2dm2 s TYR 56 Ca -0.09 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 2dm2 s TYR 56 Cb 0.22 -0.89 0.07 0.00 -0.40 0.00 0.00 41.96 40.97 2dm2 s TYR 56 CO 0.78 -0.00 0.08 0.99 -1.57 0.00 0.00 175.55 175.82 2dm2 s THR 57 N -0.49 3.12 -0.47 -0.71 2.01 -0.62 -4.35 115.64 114.13 2dm2 s THR 57 Ca 0.05 -1.62 -0.16 0.00 0.31 0.00 0.00 61.69 60.28 2dm2 s THR 57 Cb -0.07 -2.93 0.07 0.00 0.01 0.00 0.00 72.50 69.59 2dm2 s THR 57 CO -0.00 -0.32 0.40 -0.63 -0.69 0.00 0.00 174.62 173.38 2dm2 s ILE 58 N 1.22 5.23 -0.02 1.82 1.01 -1.26 -2.39 121.20 126.79 2dm2 s ILE 58 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.63 2dm2 s ILE 58 Cb -0.21 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.15 2dm2 s ILE 58 CO -0.02 -0.58 -0.05 0.00 0.00 0.00 0.00 174.94 174.29 2dm2 s GLN 59 N 1.67 0.66 -0.19 2.79 -2.07 -1.18 -5.03 119.66 116.31 2dm2 s GLN 59 Ca 0.04 -0.16 -0.05 0.00 -1.82 0.00 0.00 55.36 53.37 2dm2 s GLN 59 Cb -0.24 -0.66 -0.03 0.00 -1.09 0.00 0.00 33.01 30.99 2dm2 s GLN 59 CO 0.07 0.03 0.01 0.50 -1.32 0.00 0.00 175.29 174.57 2dm2 s ARG 60 N 0.40 3.71 0.65 9.60 3.52 -1.26 -3.08 118.95 132.48 2dm2 s ARG 60 Ca -0.05 -0.48 -0.18 0.00 -0.13 0.00 0.00 55.73 54.89 2dm2 s ARG 60 Cb -0.09 -3.09 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2dm2 s ARG 60 CO -0.00 0.11 1.27 -0.51 -0.81 0.00 0.00 175.30 175.35 2dm2 s ASP 61 N 0.76 4.65 0.09 -2.12 1.01 -0.80 -4.75 116.67 115.51 2dm2 s ASP 61 Ca 0.01 2.55 -0.17 0.00 0.71 0.00 0.00 52.55 55.65 2dm2 s ASP 61 Cb -0.14 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 2dm2 s ASP 61 CO 0.02 -1.97 1.13 0.18 0.21 0.00 0.00 175.17 174.75 2dm2 n LEU 62 N -1.94 -0.59 -0.36 1.23 4.77 -1.26 0.16 117.00 119.01 2dm2 n LEU 62 Ca 0.15 1.27 0.33 0.00 -0.03 0.00 0.00 56.01 57.73 2dm2 n LEU 62 Cb 0.49 -0.26 0.59 0.00 -2.33 0.00 0.00 43.42 41.91 2dm2 n LEU 62 CO 0.46 -0.95 1.11 0.44 -1.33 0.00 0.00 177.39 177.13 2dm2 h ASP 63 N 0.00 0.32 0.00 -1.43 3.32 -2.06 -3.43 116.42 113.14 2dm2 h ASP 63 Ca 0.09 0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2dm2 h ASP 63 Cb 0.23 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2dm2 h ASP 63 CO -0.53 -0.35 0.00 0.61 -1.72 0.00 0.00 179.24 177.26 2dm2 n GLY 64 N -1.33 0.97 3.21 2.75 0.00 0.43 -5.12 105.19 106.11 2dm2 n GLY 64 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.76 3.44 0.32 2.61 2.01 -1.17 -4.64 115.64 117.45 2dm2 s THR 65 Ca 0.00 -1.38 -0.28 0.00 0.31 0.00 0.00 61.69 60.34 2dm2 s THR 65 Cb 0.00 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.39 2dm2 s THR 65 CO 0.00 -0.25 1.14 0.00 -0.69 0.00 0.00 174.62 174.82 2dm2 s SER 67 N -0.91 -0.65 -0.02 0.00 0.01 -1.18 -2.57 113.70 108.39 2dm2 s SER 67 Ca 0.48 1.15 -0.01 0.00 1.31 0.00 0.00 55.95 58.88 2dm2 s SER 67 Cb -0.32 1.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 2dm2 s SER 67 CO 0.42 -0.20 0.07 -0.22 0.41 0.00 0.00 173.24 173.71 2dm2 s LEU 68 N 1.01 3.88 0.02 2.44 2.96 -0.14 -3.10 118.68 125.75 2dm2 s LEU 68 Ca -0.06 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2dm2 s LEU 68 Cb -0.06 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 2dm2 s LEU 68 CO -0.09 0.29 -0.13 -2.28 -1.32 0.00 0.00 176.35 172.82 2dm2 s HIS 69 N -1.16 1.14 -0.31 5.38 5.65 -1.01 -0.43 115.29 124.56 2dm2 s HIS 69 Ca 0.21 -0.29 0.00 0.00 0.25 0.00 0.00 55.06 55.24 2dm2 s HIS 69 Cb -0.12 -0.70 0.10 0.00 -1.18 0.00 0.00 32.58 30.68 2dm2 s HIS 69 CO 0.12 0.01 0.07 0.99 -0.65 0.00 0.00 174.74 175.28 2dm2 s THR 70 N -0.60 1.23 0.26 0.89 2.01 -0.36 -1.59 115.64 117.48 2dm2 s THR 70 Ca 0.03 -1.57 -0.04 0.00 0.31 0.00 0.00 61.69 60.41 2dm2 s THR 70 Cb -0.06 -1.89 0.19 0.00 0.01 0.00 0.00 72.50 70.75 2dm2 s THR 70 CO 0.00 -0.60 1.85 0.00 -0.69 0.00 0.00 174.62 175.18 2dm2 h THR 71 N 6.53 1.24 -3.37 -0.82 1.03 -1.86 -2.19 112.91 113.47 2dm2 h THR 71 Ca -0.12 -0.69 -0.56 0.00 -0.01 0.00 0.00 66.41 65.03 2dm2 h THR 71 Cb 1.02 0.30 -0.38 0.00 -1.07 0.00 0.00 68.15 68.02 2dm2 h THR 71 CO 0.47 0.29 -0.79 0.00 -0.01 0.00 0.00 175.52 175.48 2dm2 s ALA 72 N -5.58 1.53 -0.32 0.00 0.00 -1.26 -4.24 121.76 111.88 2dm2 s ALA 72 Ca -0.11 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.86 2dm2 s ALA 72 Cb 0.16 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2dm2 s ALA 72 CO 0.82 -0.87 0.11 -1.54 0.00 0.00 0.00 175.76 174.28 2dm2 s SER 73 N 1.61 5.32 0.33 0.00 1.04 -1.25 -4.98 113.70 115.76 2dm2 s SER 73 Ca -0.00 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 55.67 2dm2 s SER 73 Cb -0.16 -1.92 -0.02 0.00 0.10 0.00 0.00 66.02 64.02 2dm2 s SER 73 CO -0.08 -0.25 0.33 0.42 0.98 0.00 0.00 173.24 174.64 2dm2 s THR 74 N 1.50 3.78 0.28 2.02 -4.23 -1.26 -0.60 115.64 117.14 2dm2 s THR 74 Ca 0.02 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 2dm2 s THR 74 Cb -0.18 -3.28 0.29 0.00 1.34 0.00 0.00 72.50 70.68 2dm2 s THR 74 CO 0.04 -0.19 1.66 -0.07 -0.54 0.00 0.00 174.62 175.52 2dm2 h LEU 75 N 1.17 0.07 -0.57 4.79 -0.00 -1.96 0.21 115.31 119.03 2dm2 h LEU 75 Ca -0.45 0.18 0.01 0.00 -0.00 0.00 0.00 57.88 57.61 2dm2 h LEU 75 Cb 1.25 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 42.11 2dm2 h LEU 75 CO 0.57 -0.11 0.37 -0.78 -0.00 0.00 0.00 178.44 178.50 2dm2 h ASP 76 N 0.26 0.65 -0.15 -0.43 1.82 -1.98 -1.37 116.42 115.20 2dm2 h ASP 76 Ca 0.53 -0.02 0.04 0.00 -0.39 0.00 0.00 57.03 57.20 2dm2 h ASP 76 Cb 1.04 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.88 2dm2 h ASP 76 CO -0.61 0.47 0.52 0.44 -1.61 0.00 0.00 179.24 178.45 2dm2 h ASP 77 N 0.76 0.00 -4.10 2.28 3.32 -0.95 -3.41 116.42 114.32 2dm2 h ASP 77 Ca 0.21 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.74 2dm2 h ASP 77 Cb -0.08 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.57 2dm2 h ASP 77 CO -0.05 0.00 0.46 1.51 -1.72 0.00 0.00 179.24 179.44 2dm2 s ASP 78 N -4.33 5.28 0.00 6.45 -4.77 -0.52 -4.87 116.67 113.91 2dm2 s ASP 78 Ca -0.03 2.35 0.00 0.00 -3.30 0.00 0.00 52.55 51.57 2dm2 s ASP 78 Cb 0.09 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.33 2dm2 s ASP 78 CO 0.30 -1.53 0.00 0.61 0.70 0.00 0.00 175.17 175.26 2dm2 n GLY 79 N 0.43 -0.19 2.62 2.12 0.00 -1.26 -5.03 105.19 103.88 2dm2 n GLY 79 Ca 0.13 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 2.37 0.50 1.61 4.22 -1.26 -2.64 114.94 115.74 2dm2 s ASN 80 Ca 0.00 -0.65 -0.18 0.00 -2.14 0.00 0.00 52.86 49.89 2dm2 s ASN 80 Cb 0.00 -0.17 -0.09 0.00 1.28 0.00 0.00 41.25 42.27 2dm2 s ASN 80 CO 0.00 -0.36 0.98 -0.31 -2.04 0.00 0.00 177.10 175.37 2dm2 s TYR 81 N 2.16 3.41 -0.03 1.54 1.51 -0.90 -3.62 117.35 121.42 2dm2 s TYR 81 Ca 0.04 1.50 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2dm2 s TYR 81 Cb -0.16 -2.81 0.03 0.00 -0.11 0.00 0.00 41.96 38.91 2dm2 s TYR 81 CO -0.13 -0.32 0.04 0.99 -1.11 0.00 0.00 175.55 175.02 2dm2 s THR 82 N -2.51 -0.03 -0.17 -0.71 2.01 -0.39 -1.35 115.64 112.49 2dm2 s THR 82 Ca 0.60 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2dm2 s THR 82 Cb -0.10 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.26 2dm2 s THR 82 CO 0.27 0.15 -0.16 -0.51 -0.69 0.00 0.00 174.62 173.68 2dm2 s ILE 83 N 1.62 2.52 -0.04 1.82 2.07 -1.23 -0.12 121.20 127.84 2dm2 s ILE 83 Ca -0.02 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.49 2dm2 s ILE 83 Cb -0.13 -2.07 -0.02 0.00 0.13 0.00 0.00 42.46 40.37 2dm2 s ILE 83 CO -0.03 0.51 -0.25 -0.32 -1.91 0.00 0.00 174.94 172.94 2dm2 s MET 84 N 1.08 2.32 -0.07 3.50 -2.45 -1.11 -1.32 119.30 121.25 2dm2 s MET 84 Ca -0.00 -0.91 0.01 0.00 -1.25 0.00 0.00 55.69 53.54 2dm2 s MET 84 Cb -0.14 -2.11 -0.03 0.00 1.25 0.00 0.00 34.83 33.80 2dm2 s MET 84 CO -0.05 0.48 -0.08 0.00 1.05 0.00 0.00 175.02 176.42 2dm2 s ALA 85 N -0.42 2.92 -0.17 4.11 0.00 -0.55 -2.34 121.76 125.31 2dm2 s ALA 85 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2dm2 s ALA 85 Cb -0.12 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2dm2 s ALA 85 CO 0.01 0.56 -0.01 0.00 0.00 0.00 0.00 175.76 176.32 2dm2 s ALA 86 N -0.78 3.10 -0.07 0.00 0.00 -0.65 -2.95 121.76 120.41 2dm2 s ALA 86 Ca 0.12 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 2dm2 s ALA 86 Cb -0.11 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2dm2 s ALA 86 CO 0.01 0.18 0.23 1.21 0.00 0.00 0.00 175.76 177.39 2dm2 s ASN 87 N 0.41 -0.20 0.00 0.00 3.04 -1.22 -1.58 114.94 115.39 2dm2 s ASN 87 Ca -0.02 0.33 0.09 0.00 0.04 0.00 0.00 52.86 53.30 2dm2 s ASN 87 Cb -0.14 0.42 0.54 0.00 -1.54 0.00 0.00 41.25 40.54 2dm2 s ASN 87 CO 0.02 -0.17 0.99 -0.81 -3.04 0.00 0.00 177.10 174.09 2dm2 n PRO 88 N 2.51 0.49 0.00 0.43 -0.04 -1.26 -1.86 135.00 135.27 2dm2 n PRO 88 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2dm2 n PRO 88 Cb 0.58 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.79 2.44 0.00 0.54 6.02 -1.26 -5.09 117.38 119.23 2dm2 n GLN 89 Ca 0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2dm2 n GLN 89 Cb 0.03 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 30.69 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dm2 n GLY 90 N 0.40 4.20 3.32 1.08 0.00 -0.78 -4.42 105.19 108.98 2dm2 n GLY 90 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2dm2 n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dm2 s ARG 91 N -2.21 2.59 0.38 1.61 1.70 -1.26 -3.39 118.95 118.38 2dm2 s ARG 91 Ca 0.00 -0.84 0.05 0.00 -0.47 0.00 0.00 55.73 54.47 2dm2 s ARG 91 Cb 0.00 -2.24 -0.07 0.00 -0.57 0.00 0.00 34.95 32.07 2dm2 s ARG 91 CO 0.00 0.43 0.03 0.96 -1.08 0.00 0.00 175.30 175.64 2dm2 s ILE 92 N -0.26 1.56 0.05 4.99 -4.36 -1.15 -4.99 121.20 117.04 2dm2 s ILE 92 Ca -0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 2dm2 s ILE 92 Cb -0.13 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 40.75 2dm2 s ILE 92 CO 0.03 0.00 0.25 -0.94 0.24 0.00 0.00 174.94 174.52 2dm2 s SER 93 N -3.63 -0.04 0.37 4.36 1.04 -1.26 -1.49 113.70 113.06 2dm2 s SER 93 Ca 0.33 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.49 2dm2 s SER 93 Cb 0.09 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2dm2 s SER 93 CO 0.16 -0.61 0.15 0.00 0.98 0.00 0.00 173.24 173.91 2dm2 s THR 95 N -3.32 0.10 0.06 0.00 2.01 -1.26 -3.54 115.64 109.68 2dm2 s THR 95 Ca 0.29 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2dm2 s THR 95 Cb 0.03 -0.32 -0.00 0.00 0.01 0.00 0.00 72.50 72.22 2dm2 s THR 95 CO 0.17 -0.43 0.17 -0.83 -0.69 0.00 0.00 174.62 173.00 2dm2 s GLY 96 N -1.36 0.10 0.02 4.40 0.00 -0.46 -4.63 107.32 105.39 2dm2 s GLY 96 Ca -0.15 -0.52 0.03 0.00 0.00 0.00 0.00 44.72 44.08 2dm2 s GLY 96 CO 0.00 -0.69 -0.09 -1.60 0.00 0.00 0.00 173.10 170.72 2dm2 s ARG 97 N -3.23 0.61 0.18 2.90 6.06 -1.26 -2.11 118.95 122.09 2dm2 s ARG 97 Ca 0.00 -0.56 0.09 0.00 -2.50 0.00 0.00 55.73 52.76 2dm2 s ARG 97 Cb 0.02 -0.51 -0.04 0.00 0.06 0.00 0.00 34.95 34.48 2dm2 s ARG 97 CO -0.08 0.12 -0.19 -0.51 -2.50 0.00 0.00 175.30 172.15 2dm2 s LEU 98 N -0.95 2.45 -0.24 -0.88 1.43 -1.08 -4.12 118.68 115.29 2dm2 s LEU 98 Ca -0.03 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.18 2dm2 s LEU 98 Cb -0.07 -0.87 0.07 0.00 0.03 0.00 0.00 46.19 45.35 2dm2 s LEU 98 CO 0.00 -0.02 0.04 -0.04 0.23 0.00 0.00 176.35 176.57 2dm2 s MET 99 N -2.86 0.80 -0.18 1.70 -1.94 -1.22 -4.33 119.30 111.27 2dm2 s MET 99 Ca 0.17 -0.72 -0.03 0.00 -1.71 0.00 0.00 55.69 53.40 2dm2 s MET 99 Cb -0.06 -2.12 -0.02 0.00 2.01 0.00 0.00 34.83 34.64 2dm2 s MET 99 CO 0.07 -0.75 -0.05 0.08 -0.01 0.00 0.00 175.02 174.36 2dm2 s VAL 100 N 1.72 3.57 -0.23 -6.03 1.01 -1.26 -2.40 120.40 116.79 2dm2 s VAL 100 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2dm2 s VAL 100 Cb -0.17 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2dm2 s VAL 100 CO -0.14 0.46 0.06 -1.10 0.00 0.00 0.00 175.10 174.39 2dm2 s GLN 101 N 0.84 3.74 -0.16 2.72 -1.52 -1.20 -4.86 119.66 119.21 2dm2 s GLN 101 Ca -0.01 -0.45 -0.29 0.00 -1.95 0.00 0.00 55.36 52.66 2dm2 s GLN 101 Cb -0.15 -3.28 -0.05 0.00 -0.22 0.00 0.00 33.01 29.31 2dm2 s GLN 101 CO 0.01 -0.05 2.01 0.00 -0.25 0.00 0.00 175.29 177.01 2dm2 s ALA 102 N 1.25 3.06 -0.29 6.09 0.00 -1.26 -0.73 121.76 129.89 2dm2 s ALA 102 Ca 0.05 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2dm2 s ALA 102 Cb -0.15 -3.97 0.08 0.00 0.00 0.00 0.00 23.12 19.09 2dm2 s ALA 102 CO 0.03 -2.30 0.02 0.54 0.00 0.00 0.00 175.76 174.04 2dm2 s VAL 103 N 6.61 1.58 -0.57 0.00 0.11 -1.26 -4.95 120.40 121.94 2dm2 s VAL 103 Ca 0.91 -1.60 -0.18 0.00 -2.93 0.00 0.00 61.98 58.17 2dm2 s VAL 103 Cb -0.33 -2.03 0.10 0.00 -1.53 0.00 0.00 36.38 32.59 2dm2 s VAL 103 CO 0.36 -0.40 0.63 0.54 -3.33 0.00 0.00 175.10 172.90 2dm2 s ASN 104 N 1.31 6.19 -0.14 3.54 2.20 -1.26 -4.91 114.94 121.86 2dm2 s ASN 104 Ca 0.03 -1.45 -0.02 0.00 -0.94 0.00 0.00 52.86 50.48 2dm2 s ASN 104 Cb -0.18 -2.27 0.05 0.00 -2.00 0.00 0.00 41.25 36.84 2dm2 s ASN 104 CO -0.12 -1.01 0.02 -0.55 -2.94 0.00 0.00 177.10 172.51 2dm2 s SER 105 N 3.47 2.36 0.24 3.54 0.15 -1.26 -5.13 113.70 117.07 2dm2 s SER 105 Ca 0.10 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.03 2dm2 s SER 105 Cb -0.25 -0.53 0.03 0.00 -1.71 0.00 0.00 66.02 63.56 2dm2 s SER 105 CO 0.06 -0.26 0.62 -0.83 1.20 0.00 0.00 173.24 174.03 2dm2 s GLY 106 N 1.91 -0.10 0.52 9.45 0.00 -1.26 -5.03 107.32 112.80 2dm2 s GLY 106 Ca 0.02 -0.23 0.30 0.00 0.00 0.00 0.00 44.72 44.82 2dm2 s GLY 106 CO -0.07 -0.16 1.96 -0.56 0.00 0.00 0.00 173.10 174.27 2dm2 h PRO 107 N 2.08 0.00 -5.74 2.90 0.13 -2.07 -3.43 132.00 125.87 2dm2 h PRO 107 Ca -0.25 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.24 2dm2 h PRO 107 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 2dm2 h PRO 107 CO 0.30 0.08 -0.39 -1.12 -0.23 0.00 0.00 178.00 176.64 2dm2 s SER 108 N -5.87 6.51 -0.21 1.44 0.01 -1.26 -5.01 113.70 109.31 2dm2 s SER 108 Ca 0.00 0.61 -0.15 0.00 1.31 0.00 0.00 55.95 57.73 2dm2 s SER 108 Cb 0.10 -2.13 -0.18 0.00 0.21 0.00 0.00 66.02 64.02 2dm2 s SER 108 CO 0.57 0.37 0.06 -0.24 0.41 0.00 0.00 173.24 174.41 2dm2 n SER 109 N 2.01 1.95 -0.86 2.44 2.88 -1.26 -5.06 113.62 115.72 2dm2 n SER 109 Ca -0.18 0.31 0.11 0.00 -1.33 0.00 0.00 58.87 57.78 2dm2 n SER 109 Cb 0.54 -0.86 0.09 0.00 -0.75 0.00 0.00 64.21 63.23 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42