#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 s SER 2 N 0.00 6.25 -1.04 1.61 0.01 -1.26 -4.95 113.70 114.32 2dm2 s SER 2 Ca 0.00 -0.76 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 2dm2 s SER 2 Cb 0.00 -2.32 0.22 0.00 0.21 0.00 0.00 66.02 64.13 2dm2 s SER 2 CO 0.00 -0.95 2.18 -1.20 0.41 0.00 0.00 173.24 173.68 2dm2 n SER 3 N 6.44 7.53 0.00 2.44 7.64 -1.26 -4.76 113.62 131.64 2dm2 n SER 3 Ca -0.05 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.39 2dm2 n SER 3 Cb 0.46 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2dm2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm2 n GLY 4 N 0.65 2.94 3.29 0.23 0.00 -1.26 -5.07 105.19 105.97 2dm2 n GLY 4 Ca 0.54 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 2dm2 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm2 s SER 5 N 1.00 6.27 -0.04 1.61 0.01 -1.26 -5.05 113.70 116.23 2dm2 s SER 5 Ca 0.00 -2.13 -0.10 0.00 1.31 0.00 0.00 55.95 55.03 2dm2 s SER 5 Cb 0.00 -2.17 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 2dm2 s SER 5 CO 0.00 -0.73 0.28 -0.94 0.41 0.00 0.00 173.24 172.26 2dm2 s SER 6 N 2.91 6.58 -0.27 2.44 1.04 -1.26 -5.01 113.70 120.13 2dm2 s SER 6 Ca 0.09 0.69 0.18 0.00 0.48 0.00 0.00 55.95 57.38 2dm2 s SER 6 Cb -0.23 -2.15 0.49 0.00 0.10 0.00 0.00 66.02 64.24 2dm2 s SER 6 CO -0.01 0.34 1.13 0.61 0.98 0.00 0.00 173.24 176.29 2dm2 n GLY 7 N 1.72 3.28 3.76 7.32 0.00 -1.26 -5.10 105.19 114.90 2dm2 n GLY 7 Ca -0.16 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.72 2.48 0.70 4.61 0.00 -1.26 -3.49 121.76 121.07 2dm2 s ALA 8 Ca 0.35 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 2dm2 s ALA 8 Cb 0.35 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2dm2 s ALA 8 CO -0.01 -1.25 1.10 -1.25 0.00 0.00 0.00 175.76 174.35 2dm2 s PRO 9 N -3.60 2.63 -0.26 0.00 0.04 -1.26 -4.34 135.00 128.21 2dm2 s PRO 9 Ca 0.74 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 2dm2 s PRO 9 Cb -0.27 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2dm2 s PRO 9 CO 0.36 -1.38 0.62 -0.59 0.04 0.00 0.00 177.00 176.05 2dm2 s PHE 10 N -2.52 -1.02 -0.20 0.56 -0.12 -1.20 -4.79 117.98 108.70 2dm2 s PHE 10 Ca 0.65 1.98 -0.29 0.00 -0.05 0.00 0.00 56.93 59.22 2dm2 s PHE 10 Cb -0.19 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 2dm2 s PHE 10 CO 0.46 -0.52 1.66 -0.06 -0.05 0.00 0.00 175.22 176.72 2dm2 s PHE 11 N 1.86 2.02 -0.04 3.49 0.08 -1.26 -1.53 117.98 122.60 2dm2 s PHE 11 Ca -0.09 0.48 0.12 0.00 0.12 0.00 0.00 56.93 57.57 2dm2 s PHE 11 Cb -0.07 -3.98 -0.12 0.00 -0.57 0.00 0.00 43.02 38.27 2dm2 s PHE 11 CO -0.18 -3.16 1.11 0.93 -0.10 0.00 0.00 175.22 173.82 2dm2 h GLU 12 N 10.86 0.00 -2.63 0.44 5.08 -0.67 -3.41 114.58 124.26 2dm2 h GLU 12 Ca -0.35 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.41 2dm2 h GLU 12 Cb 1.16 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.02 2dm2 h GLU 12 CO 0.99 0.62 -0.84 1.41 -1.00 0.00 0.00 179.01 180.19 2dm2 s MET 13 N -2.80 1.24 0.93 2.33 1.75 -1.18 -4.90 119.30 116.66 2dm2 s MET 13 Ca -0.00 -2.26 -0.14 0.00 -1.25 0.00 0.00 55.69 52.04 2dm2 s MET 13 Cb 0.09 -1.95 -0.01 0.00 2.84 0.00 0.00 34.83 35.80 2dm2 s MET 13 CO 0.80 -1.31 0.21 1.63 -0.65 0.00 0.00 175.02 175.69 2dm2 n LYS 14 N 2.91 -0.17 -2.46 4.11 4.01 -1.26 -3.57 118.16 121.72 2dm2 n LYS 14 Ca 0.23 -0.01 -0.42 0.00 -0.51 0.00 0.00 58.31 57.59 2dm2 n LYS 14 Cb 0.42 -1.70 -0.03 0.00 -0.51 0.00 0.00 35.03 33.22 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 0.63 4.27 0.48 -0.35 1.43 -1.26 -4.92 118.68 118.95 2dm2 s LEU 15 Ca 0.55 1.79 -0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2dm2 s LEU 15 Cb -0.22 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.44 2dm2 s LEU 15 CO 0.69 -0.60 0.70 -0.75 0.23 0.00 0.00 176.35 176.62 2dm2 s LYS 16 N 2.37 2.98 -0.05 1.70 2.20 -1.26 -4.83 119.74 122.85 2dm2 s LYS 16 Ca 0.56 -0.50 -0.16 0.00 -0.36 0.00 0.00 55.97 55.51 2dm2 s LYS 16 Cb -0.24 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 2dm2 s LYS 16 CO 0.21 -0.37 0.42 -1.01 -0.36 0.00 0.00 175.35 174.24 2dm2 s HIS 17 N -2.62 3.63 -0.09 4.03 3.76 -1.26 -4.70 115.29 118.05 2dm2 s HIS 17 Ca 0.50 0.92 -0.01 0.00 -0.15 0.00 0.00 55.06 56.32 2dm2 s HIS 17 Cb -0.10 -2.38 0.03 0.00 1.11 0.00 0.00 32.58 31.23 2dm2 s HIS 17 CO 0.38 0.44 -0.03 0.71 -0.85 0.00 0.00 174.74 175.40 2dm2 s TYR 18 N -0.36 1.00 -0.23 1.40 2.02 -1.26 -5.08 117.35 114.85 2dm2 s TYR 18 Ca 0.24 -0.40 -0.13 0.00 -0.37 0.00 0.00 57.07 56.41 2dm2 s TYR 18 Cb -0.16 -0.97 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 2dm2 s TYR 18 CO 0.11 -0.40 0.28 0.21 -1.57 0.00 0.00 175.55 174.19 2dm2 s LYS 19 N 1.84 4.10 0.30 -0.62 2.20 -1.26 -3.24 119.74 123.05 2dm2 s LYS 19 Ca 0.05 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.63 2dm2 s LYS 19 Cb -0.12 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 2dm2 s LYS 19 CO -0.06 -0.04 0.12 0.96 -0.36 0.00 0.00 175.35 175.97 2dm2 s ILE 20 N 1.33 0.56 0.00 5.43 -4.36 -0.17 -5.00 121.20 118.99 2dm2 s ILE 20 Ca 0.13 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 2dm2 s ILE 20 Cb -0.14 -2.58 -0.05 0.00 1.25 0.00 0.00 42.46 40.93 2dm2 s ILE 20 CO 0.07 0.00 0.33 -0.36 0.24 0.00 0.00 174.94 175.22 2dm2 s PHE 21 N -3.59 3.64 -0.48 1.37 0.08 -1.26 -1.91 117.98 115.83 2dm2 s PHE 21 Ca 0.35 0.78 -0.46 0.00 0.12 0.00 0.00 56.93 57.73 2dm2 s PHE 21 Cb 0.06 -2.14 -0.19 0.00 -0.57 0.00 0.00 43.02 40.18 2dm2 s PHE 21 CO 0.15 0.62 1.72 -1.91 -0.10 0.00 0.00 175.22 175.71 2dm2 n GLU 22 N 1.48 0.12 0.00 0.44 2.13 -0.13 -0.30 120.64 124.38 2dm2 n GLU 22 Ca -0.13 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.73 2dm2 n GLU 22 Cb 0.53 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm2 n GLY 23 N 4.68 3.14 3.68 8.31 0.00 0.20 -4.69 105.19 120.51 2dm2 n GLY 23 Ca 0.35 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 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 1.79 -1.09 1.61 2.81 0.59 -3.60 117.12 119.23 2dm2 n MET 24 Ca 0.00 0.64 -0.30 0.00 -1.81 0.00 0.00 57.70 56.23 2dm2 n MET 24 Cb 0.00 -2.29 0.24 0.00 -0.71 0.00 0.00 33.22 30.46 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 -2.13 -1.11 0.01 0.03 0.04 -1.26 -3.91 135.00 126.67 2dm2 s PRO 25 Ca 0.61 -0.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.39 2dm2 s PRO 25 Cb -0.53 -1.61 0.05 0.00 0.04 0.00 0.00 34.50 32.46 2dm2 s PRO 25 CO 0.58 -3.64 0.53 0.54 0.04 0.00 0.00 177.00 175.04 2dm2 s VAL 26 N -3.00 0.03 -0.03 -0.36 0.11 -1.03 -4.98 120.40 111.13 2dm2 s VAL 26 Ca 0.70 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.55 2dm2 s VAL 26 Cb -0.10 -0.92 0.01 0.00 -1.53 0.00 0.00 36.38 33.84 2dm2 s VAL 26 CO 0.56 -0.12 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.27 2dm2 s THR 27 N -1.89 0.53 -0.27 5.04 2.01 -1.26 -1.85 115.64 117.95 2dm2 s THR 27 Ca -0.08 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.77 2dm2 s THR 27 Cb -0.01 -0.52 0.07 0.00 0.01 0.00 0.00 72.50 72.05 2dm2 s THR 27 CO 0.03 0.20 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.77 2dm2 s PHE 28 N 0.60 2.87 -0.14 4.92 0.08 0.21 -4.97 117.98 121.55 2dm2 s PHE 28 Ca -0.08 -2.19 -0.01 0.00 0.12 0.00 0.00 56.93 54.78 2dm2 s PHE 28 Cb -0.11 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 2dm2 s PHE 28 CO 0.00 -0.85 -0.12 0.99 -0.10 0.00 0.00 175.22 175.14 2dm2 s THR 29 N 1.23 3.12 0.02 0.64 2.01 -1.26 -0.43 115.64 120.97 2dm2 s THR 29 Ca -0.01 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.36 2dm2 s THR 29 Cb -0.19 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2dm2 s THR 29 CO -0.08 0.51 -0.03 0.00 -0.69 0.00 0.00 174.62 174.33 2dm2 s ARG 31 N -1.82 3.41 -0.06 0.00 0.52 -1.23 -3.51 118.95 116.26 2dm2 s ARG 31 Ca -0.13 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 2dm2 s ARG 31 Cb -0.07 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2dm2 s ARG 31 CO -0.02 -0.03 -0.11 0.08 0.02 0.00 0.00 175.30 175.24 2dm2 s VAL 32 N 1.02 3.32 0.52 3.52 1.01 -1.26 0.13 120.40 128.66 2dm2 s VAL 32 Ca -0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2dm2 s VAL 32 Cb -0.15 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2dm2 s VAL 32 CO -0.00 0.59 0.40 0.00 0.00 0.00 0.00 175.10 176.09 2dm2 s ALA 33 N -0.77 4.34 0.00 5.51 0.00 -0.58 -4.92 121.76 125.34 2dm2 s ALA 33 Ca 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2dm2 s ALA 33 Cb -0.11 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.24 2dm2 s ALA 33 CO 0.01 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.76 2dm2 n GLY 34 N -1.72 3.04 2.96 0.00 0.00 -1.26 -3.25 105.19 104.96 2dm2 n GLY 34 Ca -0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 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 0.50 1.03 1.61 -0.87 -1.23 -4.25 114.94 111.72 2dm2 s ASN 35 Ca 0.00 -0.19 -0.02 0.00 -1.57 0.00 0.00 52.86 51.08 2dm2 s ASN 35 Cb 0.00 -0.02 0.03 0.00 -0.02 0.00 0.00 41.25 41.24 2dm2 s ASN 35 CO 0.00 -0.03 0.12 -0.81 -2.57 0.00 0.00 177.10 173.81 2dm2 n PRO 36 N 2.59 -1.25 -1.50 -0.60 -0.04 -1.26 -4.81 135.00 128.13 2dm2 n PRO 36 Ca -0.15 -0.19 -0.46 0.00 -0.04 0.00 0.00 63.50 62.65 2dm2 n PRO 36 Cb 0.58 -0.18 -0.06 0.00 -0.04 0.00 0.00 33.50 33.80 2dm2 n PRO 36 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2dm2 n LYS 37 N -1.87 1.20 -2.26 0.54 4.81 -1.26 -4.90 118.16 114.42 2dm2 n LYS 37 Ca 0.02 0.29 -0.40 0.00 -0.87 0.00 0.00 58.31 57.35 2dm2 n LYS 37 Cb 0.06 -2.71 -0.02 0.00 0.02 0.00 0.00 35.03 32.38 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2dm2 s PRO 38 N 6.71 4.27 -0.26 1.64 0.04 -1.26 -4.95 135.00 141.19 2dm2 s PRO 38 Ca 1.08 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.81 2dm2 s PRO 38 Cb -0.67 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2dm2 s PRO 38 CO 0.43 -0.18 1.61 0.15 0.04 0.00 0.00 177.00 179.04 2dm2 s LYS 39 N -1.95 3.72 0.04 4.56 1.02 -0.90 -4.72 119.74 121.50 2dm2 s LYS 39 Ca 0.52 1.54 -0.15 0.00 0.02 0.00 0.00 55.97 57.90 2dm2 s LYS 39 Cb -0.34 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 32.86 2dm2 s LYS 39 CO 0.44 -1.39 0.44 0.42 -0.92 0.00 0.00 175.35 174.35 2dm2 s ILE 40 N 5.42 4.98 -0.03 2.17 -1.09 -1.26 -1.73 121.20 129.66 2dm2 s ILE 40 Ca 0.71 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.97 2dm2 s ILE 40 Cb -0.23 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2dm2 s ILE 40 CO 0.30 0.50 -0.02 -0.31 -1.23 0.00 0.00 174.94 174.18 2dm2 s TYR 41 N -1.17 0.46 -0.25 3.97 2.02 -1.05 -5.04 117.35 116.29 2dm2 s TYR 41 Ca 0.27 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.79 2dm2 s TYR 41 Cb -0.17 -0.48 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 2dm2 s TYR 41 CO 0.15 -0.14 0.18 -1.58 -1.57 0.00 0.00 175.55 172.59 2dm2 s TRP 42 N 0.90 3.28 0.16 2.71 0.52 -1.26 -2.88 118.94 122.37 2dm2 s TRP 42 Ca -0.10 0.20 0.11 0.00 0.02 0.00 0.00 56.10 56.33 2dm2 s TRP 42 Cb -0.13 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 2dm2 s TRP 42 CO -0.01 -0.01 -0.24 -0.06 0.02 0.00 0.00 176.95 176.65 2dm2 s PHE 43 N 1.31 2.34 -0.05 -1.98 0.08 0.13 -2.88 117.98 116.92 2dm2 s PHE 43 Ca 0.08 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2dm2 s PHE 43 Cb -0.14 -1.21 0.02 0.00 -0.57 0.00 0.00 43.02 41.12 2dm2 s PHE 43 CO 0.07 0.43 -0.08 0.21 -0.10 0.00 0.00 175.22 175.74 2dm2 s LYS 44 N -2.40 1.26 0.00 0.44 2.20 -0.72 -2.13 119.74 118.39 2dm2 s LYS 44 Ca 0.18 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 2dm2 s LYS 44 Cb -0.09 -1.11 0.00 0.00 -1.51 0.00 0.00 37.83 35.12 2dm2 s LYS 44 CO 0.09 -0.02 0.00 -3.47 -0.36 0.00 0.00 175.35 171.59 2dm2 n ASP 45 N 3.90 -0.80 -0.79 1.43 2.03 -1.21 0.51 116.55 121.61 2dm2 n ASP 45 Ca -0.24 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2dm2 n ASP 45 Cb 0.51 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm2 n GLY 46 N -0.40 0.52 3.58 0.27 0.00 -1.26 -5.09 105.19 102.81 2dm2 n GLY 46 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 2dm2 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s LYS 47 N -2.71 1.56 -0.23 1.61 -2.85 0.18 -5.15 119.74 112.14 2dm2 s LYS 47 Ca 0.00 -1.28 -0.10 0.00 -1.00 0.00 0.00 55.97 53.60 2dm2 s LYS 47 Cb 0.00 0.47 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 2dm2 s LYS 47 CO 0.00 -0.65 0.13 -1.14 0.10 0.00 0.00 175.35 173.80 2dm2 s GLN 48 N -3.98 3.98 0.07 1.78 0.74 -1.26 -1.75 119.66 119.23 2dm2 s GLN 48 Ca 0.23 -0.32 -0.13 0.00 0.05 0.00 0.00 55.36 55.19 2dm2 s GLN 48 Cb -0.01 -3.46 -0.06 0.00 1.10 0.00 0.00 33.01 30.58 2dm2 s GLN 48 CO 0.09 0.04 0.45 0.42 -0.55 0.00 0.00 175.29 175.74 2dm2 s ILE 49 N 1.09 4.99 0.05 -2.34 1.01 -1.14 -4.96 121.20 119.90 2dm2 s ILE 49 Ca 0.06 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.28 2dm2 s ILE 49 Cb -0.14 -3.70 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 2dm2 s ILE 49 CO 0.04 0.40 0.48 -0.55 0.00 0.00 0.00 174.94 175.31 2dm2 s SER 50 N -1.47 6.89 0.14 3.58 0.15 -1.26 -4.89 113.70 116.83 2dm2 s SER 50 Ca 0.31 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.91 2dm2 s SER 50 Cb -0.15 -2.29 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2dm2 s SER 50 CO 0.17 0.27 1.47 1.55 1.20 0.00 0.00 173.24 177.90 2dm2 h PRO 51 N 4.46 0.92 -1.32 5.44 0.13 -1.98 -3.08 132.00 136.57 2dm2 h PRO 51 Ca -0.50 -0.48 -0.13 0.00 -0.87 0.00 0.00 66.00 64.02 2dm2 h PRO 51 Cb 1.21 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2dm2 h PRO 51 CO 0.63 1.14 0.16 1.63 -0.23 0.00 0.00 178.00 181.33 2dm2 n LYS 52 N -4.08 1.31 -2.86 0.86 4.76 -1.26 -4.53 118.16 112.35 2dm2 n LYS 52 Ca -0.02 -0.67 -0.43 0.00 -2.87 0.00 0.00 58.31 54.31 2dm2 n LYS 52 Cb 0.54 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 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 0.78 6.30 0.36 4.39 0.15 -1.16 -4.88 113.70 119.64 2dm2 s SER 53 Ca 0.13 -1.27 0.30 0.00 0.70 0.00 0.00 55.95 55.81 2dm2 s SER 53 Cb 0.11 -2.42 1.18 0.00 -1.71 0.00 0.00 66.02 63.18 2dm2 s SER 53 CO 0.01 -1.35 1.14 0.47 1.20 0.00 0.00 173.24 174.71 2dm2 n ASP 54 N 7.48 0.08 0.12 5.45 8.00 -1.26 0.04 116.55 136.46 2dm2 n ASP 54 Ca 0.05 0.87 -0.05 0.00 0.71 0.00 0.00 54.79 56.37 2dm2 n ASP 54 Cb 0.47 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2dm2 n ASP 54 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2dm2 h HIS 55 N 0.00 -0.31 -3.23 1.24 2.76 -1.95 -3.45 115.15 110.20 2dm2 h HIS 55 Ca 0.67 -0.01 -0.57 0.00 -2.20 0.00 0.00 60.37 58.26 2dm2 h HIS 55 Cb 2.43 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 31.45 2dm2 h HIS 55 CO -0.00 -0.19 -0.10 0.71 -1.30 0.00 0.00 177.93 177.04 2dm2 s TYR 56 N -2.92 3.68 -0.33 5.26 2.02 0.11 -3.98 117.35 121.18 2dm2 s TYR 56 Ca -0.05 1.09 0.01 0.00 -0.37 0.00 0.00 57.07 57.75 2dm2 s TYR 56 Cb 0.00 -2.38 0.10 0.00 -0.40 0.00 0.00 41.96 39.29 2dm2 s TYR 56 CO 0.15 0.52 0.10 0.99 -1.57 0.00 0.00 175.55 175.73 2dm2 s THR 57 N -1.30 1.38 -0.50 -0.71 2.01 -0.91 -4.01 115.64 111.59 2dm2 s THR 57 Ca 0.33 -1.82 -0.25 0.00 0.31 0.00 0.00 61.69 60.26 2dm2 s THR 57 Cb -0.16 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.35 2dm2 s THR 57 CO 0.18 -0.67 0.95 -0.63 -0.69 0.00 0.00 174.62 173.75 2dm2 s ILE 58 N 1.26 4.42 -0.15 1.82 1.01 -1.26 -2.88 121.20 125.43 2dm2 s ILE 58 Ca 0.11 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.27 2dm2 s ILE 58 Cb -0.18 -4.49 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 2dm2 s ILE 58 CO -0.18 -0.97 0.07 -1.10 0.00 0.00 0.00 174.94 172.77 2dm2 s GLN 59 N 3.89 3.64 -0.05 2.79 -0.21 -0.63 -4.96 119.66 124.13 2dm2 s GLN 59 Ca 0.35 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.47 2dm2 s GLN 59 Cb -0.11 -3.12 -0.00 0.00 1.00 0.00 0.00 33.01 30.78 2dm2 s GLN 59 CO 0.24 0.49 -0.18 0.50 -2.12 0.00 0.00 175.29 174.22 2dm2 s ARG 60 N -0.24 1.97 0.63 2.91 3.52 -1.26 -1.99 118.95 124.48 2dm2 s ARG 60 Ca 0.08 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2dm2 s ARG 60 Cb -0.12 -1.66 0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2dm2 s ARG 60 CO 0.01 0.22 0.91 0.34 -0.81 0.00 0.00 175.30 175.97 2dm2 s ASP 61 N 0.14 5.12 0.00 -2.12 2.15 -1.06 -4.96 116.67 115.95 2dm2 s ASP 61 Ca -0.07 0.36 0.21 0.00 0.43 0.00 0.00 52.55 53.48 2dm2 s ASP 61 Cb -0.13 -1.16 1.12 0.00 -0.30 0.00 0.00 42.92 42.44 2dm2 s ASP 61 CO 0.03 -1.34 1.64 0.18 -0.17 0.00 0.00 175.17 175.51 2dm2 n LEU 62 N -2.66 0.00 -0.06 -1.34 4.32 -1.26 -2.71 117.00 113.29 2dm2 n LEU 62 Ca 0.07 0.17 -0.15 0.00 -0.02 0.00 0.00 56.01 56.08 2dm2 n LEU 62 Cb 0.60 -0.17 -0.14 0.00 -1.62 0.00 0.00 43.42 42.09 2dm2 n LEU 62 CO 0.50 -0.06 -0.94 0.47 -1.22 0.00 0.00 177.39 176.15 2dm2 n ASP 63 N -1.17 1.30 0.00 -1.43 8.00 -1.26 -5.00 116.55 116.98 2dm2 n ASP 63 Ca 0.12 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2dm2 n ASP 63 Cb 0.12 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2dm2 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm2 n GLY 64 N 1.89 1.78 3.46 0.44 0.00 -1.10 -5.12 105.19 106.54 2dm2 n GLY 64 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.87 4.42 0.20 2.61 2.01 -1.26 -4.41 115.64 117.35 2dm2 s THR 65 Ca 0.00 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 2dm2 s THR 65 Cb 0.00 -3.07 -0.07 0.00 0.01 0.00 0.00 72.50 69.37 2dm2 s THR 65 CO 0.00 0.33 0.49 0.00 -0.69 0.00 0.00 174.62 174.75 2dm2 s SER 67 N -2.38 -0.57 -0.09 0.00 0.01 -0.84 -2.80 113.70 107.02 2dm2 s SER 67 Ca 0.45 1.01 -0.01 0.00 1.31 0.00 0.00 55.95 58.71 2dm2 s SER 67 Cb -0.11 0.93 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 2dm2 s SER 67 CO 0.22 -0.19 -0.03 -0.22 0.41 0.00 0.00 173.24 173.44 2dm2 s LEU 68 N 1.06 3.41 -0.02 2.44 2.96 0.42 -1.61 118.68 127.34 2dm2 s LEU 68 Ca -0.06 0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.94 2dm2 s LEU 68 Cb -0.06 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 2dm2 s LEU 68 CO -0.09 0.34 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.86 2dm2 s HIS 69 N -0.65 1.30 -0.26 5.38 5.65 -1.14 -0.62 115.29 124.94 2dm2 s HIS 69 Ca 0.10 -0.29 -0.00 0.00 0.25 0.00 0.00 55.06 55.12 2dm2 s HIS 69 Cb -0.12 -0.86 0.08 0.00 -1.18 0.00 0.00 32.58 30.50 2dm2 s HIS 69 CO 0.02 -0.07 0.02 0.99 -0.65 0.00 0.00 174.74 175.06 2dm2 s THR 70 N -0.15 1.22 0.42 0.89 2.01 -0.77 -2.14 115.64 117.10 2dm2 s THR 70 Ca 0.02 -1.27 0.14 0.00 0.31 0.00 0.00 61.69 60.89 2dm2 s THR 70 Cb -0.07 -1.70 0.15 0.00 0.01 0.00 0.00 72.50 70.88 2dm2 s THR 70 CO 0.00 -0.35 1.93 0.00 -0.69 0.00 0.00 174.62 175.50 2dm2 h THR 71 N 6.58 1.19 -3.39 -0.82 1.03 -1.88 -2.73 112.91 112.89 2dm2 h THR 71 Ca -0.15 -0.88 -0.42 0.00 -0.01 0.00 0.00 66.41 64.95 2dm2 h THR 71 Cb 1.06 1.47 -0.35 0.00 -1.07 0.00 0.00 68.15 69.25 2dm2 h THR 71 CO 0.43 0.25 -0.77 0.00 -0.01 0.00 0.00 175.52 175.42 2dm2 s ALA 72 N -4.47 0.70 -0.29 0.00 0.00 -1.26 -4.37 121.76 112.07 2dm2 s ALA 72 Ca -0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2dm2 s ALA 72 Cb 0.15 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.78 2dm2 s ALA 72 CO 0.71 -0.16 -0.01 -1.54 0.00 0.00 0.00 175.76 174.76 2dm2 s SER 73 N 1.25 4.82 0.31 0.00 1.04 -1.24 -5.00 113.70 114.88 2dm2 s SER 73 Ca -0.06 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2dm2 s SER 73 Cb -0.14 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2dm2 s SER 73 CO -0.02 -0.24 0.50 0.42 0.98 0.00 0.00 173.24 174.88 2dm2 s THR 74 N 1.26 5.13 0.29 2.02 -4.23 -1.26 -0.63 115.64 118.23 2dm2 s THR 74 Ca -0.05 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2dm2 s THR 74 Cb -0.19 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.11 2dm2 s THR 74 CO -0.01 -0.45 1.83 -0.07 -0.54 0.00 0.00 174.62 175.37 2dm2 h LEU 75 N 1.09 0.89 -1.52 4.79 3.38 -1.97 0.20 115.31 122.16 2dm2 h LEU 75 Ca -0.50 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2dm2 h LEU 75 Cb 1.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2dm2 h LEU 75 CO 0.63 0.45 -0.23 0.44 0.09 0.00 0.00 178.44 179.81 2dm2 h ASP 76 N 0.94 0.00 -0.36 -0.43 3.32 -1.99 -2.61 116.42 115.30 2dm2 h ASP 76 Ca 0.51 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.58 2dm2 h ASP 76 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2dm2 h ASP 76 CO -0.28 0.23 0.24 -0.78 -1.72 0.00 0.00 179.24 176.93 2dm2 h ASP 77 N 0.00 0.35 -3.09 6.45 1.82 -0.98 -3.43 116.42 117.54 2dm2 h ASP 77 Ca -0.00 -0.01 -0.56 0.00 -0.39 0.00 0.00 57.03 56.07 2dm2 h ASP 77 Cb 0.53 -0.08 0.09 0.00 0.68 0.00 0.00 39.33 40.54 2dm2 h ASP 77 CO 0.03 0.25 0.67 -0.90 -1.61 0.00 0.00 179.24 177.68 2dm2 n ASP 78 N -4.49 3.14 0.00 2.28 5.75 -0.99 -4.82 116.55 117.43 2dm2 n ASP 78 Ca 0.03 1.17 0.00 0.00 -0.01 0.00 0.00 54.79 55.98 2dm2 n ASP 78 Cb 0.12 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 38.71 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 1.69 -0.46 2.75 6.12 0.00 -1.26 -5.03 105.19 109.00 2dm2 n GLY 79 Ca 0.08 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 2dm2 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm2 s ASN 80 N -4.00 1.56 0.40 1.61 0.01 -1.26 -3.68 114.94 109.59 2dm2 s ASN 80 Ca 0.00 -0.44 -0.23 0.00 -0.71 0.00 0.00 52.86 51.48 2dm2 s ASN 80 Cb 0.00 0.41 -0.10 0.00 0.41 0.00 0.00 41.25 41.97 2dm2 s ASN 80 CO 0.00 -0.35 0.97 -0.31 -1.51 0.00 0.00 177.10 175.90 2dm2 s TYR 81 N 2.33 3.37 -0.02 2.20 1.51 0.22 -3.32 117.35 123.65 2dm2 s TYR 81 Ca 0.08 1.66 0.00 0.00 -1.01 0.00 0.00 57.07 57.80 2dm2 s TYR 81 Cb -0.15 -2.93 0.03 0.00 -0.11 0.00 0.00 41.96 38.79 2dm2 s TYR 81 CO -0.21 -0.17 0.02 0.99 -1.11 0.00 0.00 175.55 175.08 2dm2 s THR 82 N -1.94 -0.04 -0.12 -0.71 2.01 -0.91 -0.31 115.64 113.62 2dm2 s THR 82 Ca 0.59 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.77 2dm2 s THR 82 Cb -0.14 -0.08 0.03 0.00 0.01 0.00 0.00 72.50 72.32 2dm2 s THR 82 CO 0.19 0.08 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.61 2dm2 s ILE 83 N 0.93 1.08 -0.07 1.82 2.07 -1.10 -0.70 121.20 125.22 2dm2 s ILE 83 Ca -0.08 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 2dm2 s ILE 83 Cb -0.11 -1.10 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 2dm2 s ILE 83 CO -0.03 0.36 -0.13 -0.32 -1.91 0.00 0.00 174.94 172.91 2dm2 s MET 84 N 1.69 2.75 -0.00 3.50 -2.45 -1.14 -1.60 119.30 122.04 2dm2 s MET 84 Ca 0.05 -0.68 0.03 0.00 -1.25 0.00 0.00 55.69 53.83 2dm2 s MET 84 Cb -0.13 -2.46 -0.03 0.00 1.25 0.00 0.00 34.83 33.46 2dm2 s MET 84 CO -0.08 0.52 -0.06 0.00 1.05 0.00 0.00 175.02 176.45 2dm2 s ALA 85 N -0.46 3.03 -0.15 4.11 0.00 -0.82 -2.54 121.76 124.93 2dm2 s ALA 85 Ca 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2dm2 s ALA 85 Cb -0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2dm2 s ALA 85 CO 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 175.76 176.34 2dm2 s ALA 86 N -0.99 2.94 -0.06 0.00 0.00 -0.70 -3.22 121.76 119.73 2dm2 s ALA 86 Ca 0.17 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 2dm2 s ALA 86 Cb -0.11 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.52 2dm2 s ALA 86 CO 0.07 0.21 0.23 1.21 0.00 0.00 0.00 175.76 177.48 2dm2 s ASN 87 N 0.38 -0.19 0.00 0.00 3.04 -1.19 -2.12 114.94 114.86 2dm2 s ASN 87 Ca -0.05 0.30 0.08 0.00 0.04 0.00 0.00 52.86 53.23 2dm2 s ASN 87 Cb -0.14 0.41 0.51 0.00 -1.54 0.00 0.00 41.25 40.49 2dm2 s ASN 87 CO 0.03 -0.19 0.95 -0.81 -3.04 0.00 0.00 177.10 174.04 2dm2 n PRO 88 N 2.41 0.49 0.00 0.43 -0.04 -1.26 -1.83 135.00 135.19 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.77 1.17 0.00 0.54 1.13 -1.26 -5.07 117.38 113.12 2dm2 n GLN 89 Ca 0.06 -0.23 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 2dm2 n GLN 89 Cb 0.03 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 29.70 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 0.23 4.12 3.20 1.08 0.00 -0.76 -4.07 105.19 108.99 2dm2 n GLY 90 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.73 2.54 0.43 1.61 1.70 -1.26 -3.18 118.95 118.06 2dm2 s ARG 91 Ca 0.00 -0.79 0.06 0.00 -0.47 0.00 0.00 55.73 54.53 2dm2 s ARG 91 Cb 0.00 -2.04 -0.05 0.00 -0.57 0.00 0.00 34.95 32.29 2dm2 s ARG 91 CO 0.00 0.23 0.11 0.96 -1.08 0.00 0.00 175.30 175.53 2dm2 s ILE 92 N 0.17 2.02 -0.06 4.99 -4.36 -1.20 -4.98 121.20 117.78 2dm2 s ILE 92 Ca -0.11 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.33 2dm2 s ILE 92 Cb -0.15 -2.85 0.02 0.00 1.25 0.00 0.00 42.46 40.73 2dm2 s ILE 92 CO 0.06 0.00 0.29 -0.94 0.24 0.00 0.00 174.94 174.59 2dm2 s SER 93 N -3.86 -0.23 0.34 4.36 1.04 -1.26 -1.94 113.70 112.15 2dm2 s SER 93 Ca 0.34 0.31 0.03 0.00 0.48 0.00 0.00 55.95 57.12 2dm2 s SER 93 Cb 0.05 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2dm2 s SER 93 CO 0.18 -0.27 0.09 0.00 0.98 0.00 0.00 173.24 174.22 2dm2 s THR 95 N -3.38 0.09 0.02 0.00 2.01 -1.26 -2.71 115.64 110.41 2dm2 s THR 95 Ca 0.33 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 2dm2 s THR 95 Cb 0.06 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2dm2 s THR 95 CO 0.15 -0.39 0.07 -0.83 -0.69 0.00 0.00 174.62 172.93 2dm2 s GLY 96 N -1.67 0.16 0.01 4.40 0.00 0.58 -4.59 107.32 106.20 2dm2 s GLY 96 Ca -0.10 -0.43 0.08 0.00 0.00 0.00 0.00 44.72 44.26 2dm2 s GLY 96 CO 0.00 -0.55 -0.25 -1.60 0.00 0.00 0.00 173.10 170.70 2dm2 s ARG 97 N -1.89 1.90 -0.12 2.90 6.06 -1.26 -0.61 118.95 125.93 2dm2 s ARG 97 Ca -0.11 -0.97 0.03 0.00 -2.50 0.00 0.00 55.73 52.18 2dm2 s ARG 97 Cb -0.06 -1.93 0.01 0.00 0.06 0.00 0.00 34.95 33.03 2dm2 s ARG 97 CO -0.01 0.52 -0.22 -0.51 -2.50 0.00 0.00 175.30 172.57 2dm2 s LEU 98 N -0.85 2.04 -0.40 -0.88 1.43 -1.24 -4.02 118.68 114.76 2dm2 s LEU 98 Ca 0.10 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2dm2 s LEU 98 Cb -0.10 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.80 2dm2 s LEU 98 CO 0.00 0.11 0.25 -0.04 0.23 0.00 0.00 176.35 176.90 2dm2 s MET 99 N 0.61 2.82 -0.23 1.70 -1.94 -1.20 -4.15 119.30 116.91 2dm2 s MET 99 Ca -0.13 -1.17 -0.05 0.00 -1.71 0.00 0.00 55.69 52.63 2dm2 s MET 99 Cb -0.17 -3.83 -0.01 0.00 2.01 0.00 0.00 34.83 32.84 2dm2 s MET 99 CO 0.03 -0.80 -0.02 0.08 -0.01 0.00 0.00 175.02 174.31 2dm2 s VAL 100 N 1.56 3.55 -0.36 -6.03 1.01 -1.26 -1.00 120.40 117.87 2dm2 s VAL 100 Ca 0.03 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2dm2 s VAL 100 Cb -0.20 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 2dm2 s VAL 100 CO 0.06 0.37 0.44 -1.10 0.00 0.00 0.00 175.10 174.87 2dm2 s GLN 101 N 1.50 3.49 0.19 2.72 -1.52 -0.80 -4.85 119.66 120.38 2dm2 s GLN 101 Ca 0.05 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.78 2dm2 s GLN 101 Cb -0.15 -3.84 -0.17 0.00 -0.22 0.00 0.00 33.01 28.64 2dm2 s GLN 101 CO -0.02 -0.64 0.77 0.00 -0.25 0.00 0.00 175.29 175.15 2dm2 n ALA 102 N 5.58 -2.24 -3.67 6.09 0.00 -1.26 -0.96 120.51 124.05 2dm2 n ALA 102 Ca -0.07 0.46 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 2dm2 n ALA 102 Cb 0.49 -1.76 -0.17 0.00 0.00 0.00 0.00 19.45 18.01 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dm2 s VAL 103 N -0.77 0.12 -0.01 0.00 1.01 -1.26 -4.74 120.40 114.74 2dm2 s VAL 103 Ca 0.68 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2dm2 s VAL 103 Cb -0.93 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2dm2 s VAL 103 CO 0.56 -0.15 -0.07 0.54 0.00 0.00 0.00 175.10 175.98 2dm2 s ASN 104 N 2.05 0.88 -0.60 3.32 2.20 -1.26 -4.94 114.94 116.58 2dm2 s ASN 104 Ca 0.02 -0.13 -0.28 0.00 -0.94 0.00 0.00 52.86 51.53 2dm2 s ASN 104 Cb -0.15 -0.18 0.03 0.00 -2.00 0.00 0.00 41.25 38.94 2dm2 s ASN 104 CO -0.08 0.06 1.27 -0.55 -2.94 0.00 0.00 177.10 174.86 2dm2 s SER 105 N 0.09 6.31 0.48 3.54 0.15 -1.26 -5.01 113.70 118.00 2dm2 s SER 105 Ca -0.01 0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2dm2 s SER 105 Cb -0.06 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2dm2 s SER 105 CO -0.00 -1.60 0.69 -0.83 1.20 0.00 0.00 173.24 172.70 2dm2 s GLY 106 N 3.49 1.68 0.95 9.45 0.00 -1.26 -5.09 107.32 116.54 2dm2 s GLY 106 Ca 0.44 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 2dm2 s GLY 106 CO 0.24 -1.00 1.09 2.56 0.00 0.00 0.00 173.10 175.99 2dm2 s PRO 107 N -4.60 0.81 -0.36 2.90 0.04 -1.26 -5.03 135.00 127.50 2dm2 s PRO 107 Ca 0.52 0.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 2dm2 s PRO 107 Cb -0.10 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.72 2dm2 s PRO 107 CO 0.37 -2.51 0.16 -1.12 0.04 0.00 0.00 177.00 173.94 2dm2 s SER 108 N -3.44 5.45 -1.56 6.66 0.01 -1.26 -4.67 113.70 114.89 2dm2 s SER 108 Ca 0.64 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 56.53 2dm2 s SER 108 Cb -0.18 -1.92 0.16 0.00 0.21 0.00 0.00 66.02 64.29 2dm2 s SER 108 CO 0.57 -0.39 0.39 -1.54 0.41 0.00 0.00 173.24 172.69 2dm2 n SER 109 N 4.86 -0.98 0.00 2.44 3.41 -1.26 -5.38 113.62 116.70 2dm2 n SER 109 Ca -0.11 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 2dm2 n SER 109 Cb 0.44 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49