#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 4.72 0.12 1.61 0.01 -1.26 -5.15 113.70 113.75 2dm2 s SER 2 Ca 0.00 -0.85 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 2dm2 s SER 2 Cb 0.00 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.62 2dm2 s SER 2 CO 0.00 -0.47 0.29 -0.44 0.41 0.00 0.00 173.24 173.03 2dm2 s SER 3 N -3.94 -0.02 0.00 2.44 0.01 -1.26 -5.08 113.70 105.85 2dm2 s SER 3 Ca 0.41 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dm2 s SER 3 Cb -0.01 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.63 2dm2 s SER 3 CO 0.24 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2dm2 n GLY 4 N -0.16 -1.20 3.26 3.44 0.00 -1.26 -5.09 105.19 104.19 2dm2 n GLY 4 Ca -0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 2dm2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm2 s SER 5 N 0.00 3.78 -0.16 1.61 1.04 -1.26 -5.10 113.70 113.60 2dm2 s SER 5 Ca 0.00 -0.46 -0.21 0.00 0.48 0.00 0.00 55.95 55.76 2dm2 s SER 5 Cb 0.00 -1.60 0.05 0.00 0.10 0.00 0.00 66.02 64.57 2dm2 s SER 5 CO 0.00 0.05 0.56 -0.55 0.98 0.00 0.00 173.24 174.28 2dm2 s SER 6 N 1.01 -0.56 0.00 7.02 0.15 -1.26 -4.97 113.70 115.09 2dm2 s SER 6 Ca -0.01 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.59 2dm2 s SER 6 Cb -0.15 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2dm2 s SER 6 CO -0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2dm2 n GLY 7 N 2.31 3.88 3.83 9.45 0.00 -1.26 -5.11 105.19 118.28 2dm2 n GLY 7 Ca -0.15 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 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 2.91 0.49 4.61 0.00 -1.26 -3.77 121.76 124.73 2dm2 s ALA 8 Ca 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.89 2dm2 s ALA 8 Cb 0.00 -3.15 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 2dm2 s ALA 8 CO 0.00 -0.71 1.15 -1.25 0.00 0.00 0.00 175.76 174.95 2dm2 s PRO 9 N -4.56 3.61 -0.13 0.00 0.04 -1.26 -4.40 135.00 128.30 2dm2 s PRO 9 Ca 0.59 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 2dm2 s PRO 9 Cb -0.13 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.20 2dm2 s PRO 9 CO 0.43 -0.66 0.34 -0.59 0.04 0.00 0.00 177.00 176.57 2dm2 s PHE 10 N -1.63 -0.42 -0.50 0.56 -0.12 -1.23 -4.80 117.98 109.85 2dm2 s PHE 10 Ca 0.67 0.98 -0.29 0.00 -0.05 0.00 0.00 56.93 58.24 2dm2 s PHE 10 Cb -0.27 0.15 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 2dm2 s PHE 10 CO 0.32 -0.22 1.22 -0.06 -0.05 0.00 0.00 175.22 176.43 2dm2 s PHE 11 N 0.57 2.65 0.08 3.49 0.08 -1.26 -2.32 117.98 121.27 2dm2 s PHE 11 Ca -0.03 0.62 -0.14 0.00 0.12 0.00 0.00 56.93 57.50 2dm2 s PHE 11 Cb -0.05 -4.44 -0.21 0.00 -0.57 0.00 0.00 43.02 37.75 2dm2 s PHE 11 CO -0.03 -1.53 1.21 0.93 -0.10 0.00 0.00 175.22 175.70 2dm2 h GLU 12 N 9.71 0.71 -2.37 0.44 5.08 -1.79 -3.39 114.58 122.98 2dm2 h GLU 12 Ca -0.25 -0.71 -0.59 0.00 -1.00 0.00 0.00 59.36 56.81 2dm2 h GLU 12 Cb 1.07 0.19 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 2dm2 h GLU 12 CO 1.14 1.30 -0.83 -0.12 -1.00 0.00 0.00 179.01 179.50 2dm2 n MET 13 N -3.91 1.32 -0.94 2.33 1.56 -1.25 -4.97 117.12 111.26 2dm2 n MET 13 Ca -0.10 -3.87 -0.36 0.00 -0.27 0.00 0.00 57.70 53.10 2dm2 n MET 13 Cb 0.83 -1.83 0.06 0.00 2.15 0.00 0.00 33.22 34.44 2dm2 n MET 13 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2dm2 n LYS 14 N 1.71 -0.21 -2.07 2.12 5.02 -1.26 -3.86 118.16 119.60 2dm2 n LYS 14 Ca 0.25 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 2dm2 n LYS 14 Cb 0.45 -1.20 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dm2 s LEU 15 N 5.70 4.37 0.34 -0.35 1.43 -1.26 -4.86 118.68 124.05 2dm2 s LEU 15 Ca 0.43 2.46 -0.03 0.00 -1.03 0.00 0.00 54.13 55.97 2dm2 s LEU 15 Cb -0.09 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2dm2 s LEU 15 CO 0.74 -0.71 0.58 -0.75 0.23 0.00 0.00 176.35 176.44 2dm2 s LYS 16 N 0.95 3.55 -0.06 1.70 2.20 -1.26 -4.89 119.74 121.92 2dm2 s LYS 16 Ca 0.66 -0.12 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 2dm2 s LYS 16 Cb -0.40 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2dm2 s LYS 16 CO 0.32 0.13 0.61 -1.01 -0.36 0.00 0.00 175.35 175.03 2dm2 s HIS 17 N -2.28 3.59 0.02 4.03 3.76 -1.26 -4.70 115.29 118.44 2dm2 s HIS 17 Ca 0.43 1.14 0.05 0.00 -0.15 0.00 0.00 55.06 56.52 2dm2 s HIS 17 Cb -0.10 -2.68 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 2dm2 s HIS 17 CO 0.35 0.18 -0.14 0.71 -0.85 0.00 0.00 174.74 174.99 2dm2 s TYR 18 N 0.48 1.27 -0.22 1.40 2.02 -1.26 -5.11 117.35 115.92 2dm2 s TYR 18 Ca 0.32 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.72 2dm2 s TYR 18 Cb -0.17 -0.78 0.06 0.00 -0.40 0.00 0.00 41.96 40.67 2dm2 s TYR 18 CO 0.16 0.02 -0.06 0.21 -1.57 0.00 0.00 175.55 174.30 2dm2 s LYS 19 N -0.82 1.66 0.44 -0.62 2.20 -1.26 -3.30 119.74 118.04 2dm2 s LYS 19 Ca 0.03 -0.92 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 2dm2 s LYS 19 Cb -0.07 -2.51 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 2dm2 s LYS 19 CO 0.01 -0.56 0.12 0.96 -0.36 0.00 0.00 175.35 175.52 2dm2 s ILE 20 N 1.42 0.63 0.39 5.43 -4.36 -1.08 -5.02 121.20 118.62 2dm2 s ILE 20 Ca -0.05 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 2dm2 s ILE 20 Cb -0.18 -2.27 -0.00 0.00 1.25 0.00 0.00 42.46 41.25 2dm2 s ILE 20 CO -0.07 0.00 0.56 -0.36 0.24 0.00 0.00 174.94 175.31 2dm2 s PHE 21 N -3.14 3.12 0.21 1.37 0.40 -1.26 -3.13 117.98 115.56 2dm2 s PHE 21 Ca 0.19 -0.06 -0.32 0.00 -0.60 0.00 0.00 56.93 56.14 2dm2 s PHE 21 Cb 0.02 -2.16 -0.13 0.00 0.51 0.00 0.00 43.02 41.26 2dm2 s PHE 21 CO 0.13 -0.19 1.58 -1.91 0.70 0.00 0.00 175.22 175.52 2dm2 n GLU 22 N -1.84 2.36 0.00 0.44 2.13 0.81 -1.95 120.64 122.60 2dm2 n GLU 22 Ca 0.01 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.68 2dm2 n GLU 22 Cb 0.58 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 3.04 2.49 3.63 8.31 0.00 0.13 -4.71 105.19 118.08 2dm2 n GLY 23 Ca 0.14 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 1.65 -1.26 1.61 2.81 -0.82 -3.70 117.12 117.41 2dm2 n MET 24 Ca 0.00 0.58 -0.31 0.00 -1.81 0.00 0.00 57.70 56.16 2dm2 n MET 24 Cb 0.00 -2.04 0.10 0.00 -0.71 0.00 0.00 33.22 30.57 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 -1.65 2.16 -0.04 0.03 0.04 -1.26 -4.06 135.00 130.23 2dm2 s PRO 25 Ca 0.58 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 2dm2 s PRO 25 Cb -0.65 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.02 2dm2 s PRO 25 CO 0.61 -1.70 0.25 0.54 0.04 0.00 0.00 177.00 176.74 2dm2 s VAL 26 N -2.91 0.05 -0.02 -0.36 0.11 -0.96 -5.01 120.40 111.30 2dm2 s VAL 26 Ca 0.61 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 2dm2 s VAL 26 Cb -0.17 -0.50 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2dm2 s VAL 26 CO 0.56 -0.22 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.17 2dm2 s THR 27 N -0.91 0.50 -0.29 5.04 2.01 -1.26 -1.58 115.64 119.14 2dm2 s THR 27 Ca -0.10 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.71 2dm2 s THR 27 Cb -0.05 -0.46 0.08 0.00 0.01 0.00 0.00 72.50 72.09 2dm2 s THR 27 CO 0.02 0.17 0.00 -0.36 -0.69 0.00 0.00 174.62 173.76 2dm2 s PHE 28 N 0.21 2.99 -0.10 4.92 0.40 -0.47 -4.98 117.98 120.94 2dm2 s PHE 28 Ca -0.02 -2.36 -0.12 0.00 -0.60 0.00 0.00 56.93 53.83 2dm2 s PHE 28 Cb -0.07 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2dm2 s PHE 28 CO -0.00 -0.88 0.27 0.99 0.70 0.00 0.00 175.22 176.30 2dm2 s THR 29 N 1.18 5.29 -0.17 0.64 2.01 -1.26 -0.90 115.64 122.43 2dm2 s THR 29 Ca 0.03 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 62.45 2dm2 s THR 29 Cb -0.19 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.80 2dm2 s THR 29 CO -0.10 0.52 0.41 0.00 -0.69 0.00 0.00 174.62 174.76 2dm2 s ARG 31 N 1.23 4.02 -0.12 0.00 0.52 -1.25 -2.25 118.95 121.10 2dm2 s ARG 31 Ca -0.08 -0.27 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 2dm2 s ARG 31 Cb -0.08 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 2dm2 s ARG 31 CO -0.11 -0.05 -0.05 0.08 0.02 0.00 0.00 175.30 175.19 2dm2 s VAL 32 N 1.39 3.85 0.48 3.52 1.01 -1.25 -1.98 120.40 127.43 2dm2 s VAL 32 Ca 0.08 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2dm2 s VAL 32 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2dm2 s VAL 32 CO 0.07 0.54 0.38 0.00 0.00 0.00 0.00 175.10 176.10 2dm2 s ALA 33 N -0.11 4.20 0.00 5.51 0.00 -0.98 -4.80 121.76 125.58 2dm2 s ALA 33 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.34 2dm2 s ALA 33 Cb -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.17 2dm2 s ALA 33 CO 0.03 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2dm2 n GLY 34 N -1.64 3.46 2.98 0.00 0.00 -1.26 -3.54 105.19 105.18 2dm2 n GLY 34 Ca 0.01 -1.57 -0.18 0.00 0.00 0.00 0.00 46.02 44.28 2dm2 n GLY 34 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dm2 s ASN 35 N 0.00 0.84 1.14 1.61 2.47 -1.25 -4.04 114.94 115.71 2dm2 s ASN 35 Ca 0.00 -0.13 -0.12 0.00 0.42 0.00 0.00 52.86 53.04 2dm2 s ASN 35 Cb 0.00 -0.14 0.17 0.00 -1.45 0.00 0.00 41.25 39.83 2dm2 s ASN 35 CO 0.00 0.07 0.62 -0.81 -3.72 0.00 0.00 177.10 173.25 2dm2 n PRO 36 N 3.07 -2.23 -1.56 0.43 -0.04 -1.26 -4.86 135.00 128.56 2dm2 n PRO 36 Ca -0.15 -0.99 -0.54 0.00 -0.04 0.00 0.00 63.50 61.78 2dm2 n PRO 36 Cb 0.57 -0.92 -0.07 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.39 1.10 -1.58 0.54 0.00 -1.26 -4.91 118.16 108.66 2dm2 n LYS 37 Ca 0.09 0.36 -0.32 0.00 0.00 0.00 0.00 58.31 58.43 2dm2 n LYS 37 Cb 0.33 -2.24 0.06 0.00 0.00 0.00 0.00 35.03 33.19 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 4.92 2.60 -0.35 1.64 0.04 -1.26 -4.98 135.00 137.62 2dm2 s PRO 38 Ca 1.05 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 2dm2 s PRO 38 Cb -0.99 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 31.63 2dm2 s PRO 38 CO 0.58 -1.39 0.98 0.15 0.04 0.00 0.00 177.00 177.35 2dm2 s LYS 39 N -4.38 3.94 0.06 4.56 1.02 -0.69 -4.79 119.74 119.46 2dm2 s LYS 39 Ca 0.65 0.78 -0.20 0.00 0.02 0.00 0.00 55.97 57.21 2dm2 s LYS 39 Cb -0.19 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 33.28 2dm2 s LYS 39 CO 0.47 -0.91 0.60 0.42 -0.92 0.00 0.00 175.35 175.01 2dm2 s ILE 40 N 3.52 4.75 -0.05 2.17 -1.09 -1.26 -1.85 121.20 127.39 2dm2 s ILE 40 Ca 0.41 1.29 -0.02 0.00 -2.23 0.00 0.00 60.65 60.09 2dm2 s ILE 40 Cb -0.12 -3.94 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2dm2 s ILE 40 CO 0.17 0.50 0.08 -0.31 -1.23 0.00 0.00 174.94 174.16 2dm2 s TYR 41 N -0.80 -0.00 -0.20 3.97 2.02 -1.15 -5.03 117.35 116.16 2dm2 s TYR 41 Ca 0.31 0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 57.25 2dm2 s TYR 41 Cb -0.20 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 2dm2 s TYR 41 CO 0.19 -0.20 0.12 -1.58 -1.57 0.00 0.00 175.55 172.51 2dm2 s TRP 42 N 2.12 3.38 0.27 2.71 0.52 -1.26 -2.57 118.94 124.11 2dm2 s TRP 42 Ca 0.03 0.28 0.12 0.00 0.02 0.00 0.00 56.10 56.55 2dm2 s TRP 42 Cb -0.12 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.01 2dm2 s TRP 42 CO -0.04 0.27 -0.19 -0.06 0.02 0.00 0.00 176.95 176.95 2dm2 s PHE 43 N 0.35 2.23 -0.07 -1.98 0.08 0.77 -2.89 117.98 116.46 2dm2 s PHE 43 Ca 0.07 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2dm2 s PHE 43 Cb -0.11 -0.97 0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2dm2 s PHE 43 CO -0.02 0.68 0.04 0.21 -0.10 0.00 0.00 175.22 176.03 2dm2 s LYS 44 N -3.53 0.24 -0.19 0.44 2.36 0.80 -2.70 119.74 117.17 2dm2 s LYS 44 Ca 0.29 0.19 -0.02 0.00 -2.55 0.00 0.00 55.97 53.87 2dm2 s LYS 44 Cb -0.04 -0.90 0.02 0.00 -1.05 0.00 0.00 37.83 35.86 2dm2 s LYS 44 CO 0.14 -0.37 0.06 -3.47 1.55 0.00 0.00 175.35 173.26 2dm2 n ASP 45 N 5.22 -0.99 -0.30 1.43 2.03 -1.21 0.91 116.55 123.64 2dm2 n ASP 45 Ca -0.05 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2dm2 n ASP 45 Cb 0.50 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 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 -0.51 0.86 3.16 0.27 0.00 -1.26 -5.10 105.19 102.61 2dm2 n GLY 46 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.22 0.68 0.15 1.61 1.02 0.26 -5.16 119.74 116.08 2dm2 s LYS 47 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 55.97 55.06 2dm2 s LYS 47 Cb 0.00 0.28 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 2dm2 s LYS 47 CO 0.00 -0.19 0.62 -1.14 -0.92 0.00 0.00 175.35 173.72 2dm2 s GLN 48 N -2.85 4.16 -0.08 1.68 0.74 -1.26 -0.14 119.66 121.90 2dm2 s GLN 48 Ca -0.03 0.71 0.03 0.00 0.05 0.00 0.00 55.36 56.13 2dm2 s GLN 48 Cb 0.00 -3.03 -0.01 0.00 1.10 0.00 0.00 33.01 31.07 2dm2 s GLN 48 CO -0.06 0.51 -0.19 0.42 -0.55 0.00 0.00 175.29 175.43 2dm2 s ILE 49 N -1.35 2.59 0.30 -2.34 1.01 -1.14 -4.89 121.20 115.38 2dm2 s ILE 49 Ca 0.36 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 2dm2 s ILE 49 Cb -0.17 -2.01 -0.09 0.00 0.01 0.00 0.00 42.46 40.19 2dm2 s ILE 49 CO 0.20 0.56 0.97 -0.55 0.00 0.00 0.00 174.94 176.12 2dm2 s SER 50 N -0.06 7.37 0.12 3.58 0.15 -1.26 -4.80 113.70 118.80 2dm2 s SER 50 Ca -0.05 1.94 -0.13 0.00 0.70 0.00 0.00 55.95 58.42 2dm2 s SER 50 Cb -0.14 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.51 2dm2 s SER 50 CO 0.04 -0.05 1.45 1.55 1.20 0.00 0.00 173.24 177.44 2dm2 h PRO 51 N 3.48 0.84 -1.06 5.44 0.13 -1.98 -3.06 132.00 135.80 2dm2 h PRO 51 Ca -0.46 -0.45 -0.29 0.00 -0.87 0.00 0.00 66.00 63.93 2dm2 h PRO 51 Cb 1.20 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.18 2dm2 h PRO 51 CO 0.66 1.08 0.37 1.63 -0.23 0.00 0.00 178.00 181.52 2dm2 n LYS 52 N -4.15 1.71 -1.88 0.86 4.76 -1.26 -4.26 118.16 113.94 2dm2 n LYS 52 Ca -0.03 -1.65 -0.33 0.00 -2.87 0.00 0.00 58.31 53.44 2dm2 n LYS 52 Cb 0.52 -1.64 0.03 0.00 -1.84 0.00 0.00 35.03 32.09 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 -0.22 5.43 0.00 4.39 0.15 -1.16 -4.98 113.70 117.32 2dm2 s SER 53 Ca 0.31 1.90 0.07 0.00 0.70 0.00 0.00 55.95 58.92 2dm2 s SER 53 Cb 0.26 -2.54 -0.24 0.00 -1.71 0.00 0.00 66.02 61.79 2dm2 s SER 53 CO 0.05 -1.41 0.84 -0.78 1.20 0.00 0.00 173.24 173.14 2dm2 h ASP 54 N 0.18 0.11 0.04 5.45 1.82 -1.92 -3.41 116.42 118.69 2dm2 h ASP 54 Ca -0.47 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 55.99 2dm2 h ASP 54 Cb 1.23 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2dm2 h ASP 54 CO 0.56 1.15 -0.02 -0.74 -1.61 0.00 0.00 179.24 178.58 2dm2 h HIS 55 N 0.02 -0.05 -3.40 0.28 2.76 -1.95 -3.45 115.15 109.37 2dm2 h HIS 55 Ca -0.22 -0.00 -0.59 0.00 -2.20 0.00 0.00 60.37 57.37 2dm2 h HIS 55 Cb 1.95 0.02 -0.09 0.00 1.55 0.00 0.00 27.41 30.84 2dm2 h HIS 55 CO 0.02 -0.03 -0.07 0.71 -1.30 0.00 0.00 177.93 177.26 2dm2 s TYR 56 N -1.71 3.44 -0.37 5.26 2.02 -1.26 -4.30 117.35 120.43 2dm2 s TYR 56 Ca -0.01 0.86 -0.08 0.00 -0.37 0.00 0.00 57.07 57.47 2dm2 s TYR 56 Cb 0.00 -2.63 0.05 0.00 -0.40 0.00 0.00 41.96 38.97 2dm2 s TYR 56 CO 0.02 0.02 0.16 0.99 -1.57 0.00 0.00 175.55 175.18 2dm2 s THR 57 N 1.17 4.05 -0.33 -0.71 2.01 -0.69 -4.21 115.64 116.93 2dm2 s THR 57 Ca 0.26 -1.14 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 2dm2 s THR 57 Cb -0.15 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 2dm2 s THR 57 CO 0.10 -0.27 0.49 -0.63 -0.69 0.00 0.00 174.62 173.62 2dm2 s ILE 58 N 1.44 5.05 0.00 1.82 1.01 -1.26 -1.79 121.20 127.46 2dm2 s ILE 58 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2dm2 s ILE 58 Cb -0.20 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 2dm2 s ILE 58 CO 0.03 -0.14 -0.15 -1.10 0.00 0.00 0.00 174.94 173.59 2dm2 s GLN 59 N 2.33 2.31 0.02 2.79 -0.21 -0.22 -4.98 119.66 121.70 2dm2 s GLN 59 Ca 0.18 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.73 2dm2 s GLN 59 Cb -0.16 -2.31 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2dm2 s GLN 59 CO 0.12 0.58 -0.03 0.50 -2.12 0.00 0.00 175.29 174.34 2dm2 s ARG 60 N -1.17 0.28 0.58 2.91 3.52 -1.26 -1.25 118.95 122.56 2dm2 s ARG 60 Ca 0.14 -0.50 0.08 0.00 -0.13 0.00 0.00 55.73 55.32 2dm2 s ARG 60 Cb -0.11 0.02 0.08 0.00 -1.56 0.00 0.00 34.95 33.38 2dm2 s ARG 60 CO 0.04 -0.02 0.65 0.34 -0.81 0.00 0.00 175.30 175.50 2dm2 s ASP 61 N -1.15 4.84 0.36 -2.12 2.15 -1.19 -4.94 116.67 114.62 2dm2 s ASP 61 Ca -0.12 -1.08 0.09 0.00 0.43 0.00 0.00 52.55 51.88 2dm2 s ASP 61 Cb -0.08 0.49 0.68 0.00 -0.30 0.00 0.00 42.92 43.71 2dm2 s ASP 61 CO -0.01 -1.32 1.84 -0.07 -0.17 0.00 0.00 175.17 175.44 2dm2 h LEU 62 N 0.36 0.21 -1.05 -1.34 3.38 -2.02 -2.22 115.31 112.63 2dm2 h LEU 62 Ca -0.32 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 2dm2 h LEU 62 Cb 1.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2dm2 h LEU 62 CO 0.47 0.46 -0.26 0.44 0.09 0.00 0.00 178.44 179.64 2dm2 h ASP 63 N 0.19 0.00 0.00 -0.43 5.19 -2.01 -3.46 116.42 115.90 2dm2 h ASP 63 Ca 0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2dm2 h ASP 63 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2dm2 h ASP 63 CO 0.04 0.26 0.00 0.61 -3.12 0.00 0.00 179.24 177.02 2dm2 n GLY 64 N 0.20 1.48 3.55 2.75 0.00 -0.83 -4.99 105.19 107.34 2dm2 n GLY 64 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.76 0.23 2.61 2.01 -1.26 -3.87 115.64 117.12 2dm2 s THR 65 Ca 0.00 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 61.99 2dm2 s THR 65 Cb 0.00 -4.92 -0.09 0.00 0.01 0.00 0.00 72.50 67.50 2dm2 s THR 65 CO 0.00 -1.85 0.88 0.00 -0.69 0.00 0.00 174.62 172.96 2dm2 s SER 67 N -1.26 -0.45 0.13 0.00 1.04 -0.38 -1.50 113.70 111.27 2dm2 s SER 67 Ca 0.41 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.75 2dm2 s SER 67 Cb -0.24 0.84 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2dm2 s SER 67 CO 0.29 -0.16 0.05 -0.22 0.98 0.00 0.00 173.24 174.18 2dm2 s LEU 68 N 0.45 3.58 0.02 2.42 2.96 -0.08 -1.05 118.68 126.98 2dm2 s LEU 68 Ca -0.02 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2dm2 s LEU 68 Cb -0.04 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 2dm2 s LEU 68 CO -0.02 0.12 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.82 2dm2 s HIS 69 N -1.54 0.34 -0.24 5.38 5.65 -0.74 -1.37 115.29 122.76 2dm2 s HIS 69 Ca 0.28 -0.54 -0.03 0.00 0.25 0.00 0.00 55.06 55.02 2dm2 s HIS 69 Cb -0.11 -0.23 0.11 0.00 -1.18 0.00 0.00 32.58 31.17 2dm2 s HIS 69 CO 0.20 -0.18 0.24 0.99 -0.65 0.00 0.00 174.74 175.35 2dm2 s THR 70 N -1.52 -0.33 0.24 0.89 2.01 -0.61 -1.71 115.64 114.61 2dm2 s THR 70 Ca -0.14 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2dm2 s THR 70 Cb -0.09 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.63 2dm2 s THR 70 CO -0.01 -0.35 1.66 0.00 -0.69 0.00 0.00 174.62 175.23 2dm2 h THR 71 N 6.30 1.28 -3.39 -0.82 1.03 -1.86 -2.54 112.91 112.89 2dm2 h THR 71 Ca -0.16 -1.36 -0.62 0.00 -0.01 0.00 0.00 66.41 64.26 2dm2 h THR 71 Cb 1.11 1.33 -0.37 0.00 -1.07 0.00 0.00 68.15 69.16 2dm2 h THR 71 CO 0.32 0.44 -0.81 0.00 -0.01 0.00 0.00 175.52 175.45 2dm2 s ALA 72 N -4.49 2.00 -0.42 0.00 0.00 -1.26 -4.24 121.76 113.35 2dm2 s ALA 72 Ca -0.08 -1.19 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2dm2 s ALA 72 Cb 0.13 -1.26 0.10 0.00 0.00 0.00 0.00 23.12 22.09 2dm2 s ALA 72 CO 0.82 -0.77 0.24 -1.54 0.00 0.00 0.00 175.76 174.50 2dm2 s SER 73 N 1.40 5.44 0.22 0.00 1.04 -1.24 -4.98 113.70 115.58 2dm2 s SER 73 Ca -0.01 -1.83 -0.01 0.00 0.48 0.00 0.00 55.95 54.59 2dm2 s SER 73 Cb -0.16 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 2dm2 s SER 73 CO -0.08 -0.56 0.42 0.42 0.98 0.00 0.00 173.24 174.42 2dm2 s THR 74 N 1.27 5.17 0.40 2.02 -4.23 -1.26 -0.69 115.64 118.32 2dm2 s THR 74 Ca 0.05 -0.32 0.24 0.00 -1.18 0.00 0.00 61.69 60.49 2dm2 s THR 74 Cb -0.24 -3.74 0.42 0.00 1.34 0.00 0.00 72.50 70.28 2dm2 s THR 74 CO -0.02 -0.22 1.63 -0.07 -0.54 0.00 0.00 174.62 175.40 2dm2 h LEU 75 N 1.87 0.33 -0.63 4.79 -0.00 -1.97 1.02 115.31 120.71 2dm2 h LEU 75 Ca -0.48 0.18 -0.04 0.00 -0.00 0.00 0.00 57.88 57.53 2dm2 h LEU 75 Cb 1.19 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 41.98 2dm2 h LEU 75 CO 0.67 -0.22 0.22 0.44 -0.00 0.00 0.00 178.44 179.55 2dm2 h ASP 76 N 0.13 0.90 -0.74 -0.43 3.32 -1.99 -2.84 116.42 114.76 2dm2 h ASP 76 Ca 0.80 -0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.74 2dm2 h ASP 76 Cb 2.27 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 41.52 2dm2 h ASP 76 CO -0.54 0.85 0.40 0.44 -1.72 0.00 0.00 179.24 178.67 2dm2 h ASP 77 N 0.89 0.56 -2.62 6.45 3.32 0.71 -3.43 116.42 122.31 2dm2 h ASP 77 Ca 0.21 0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.74 2dm2 h ASP 77 Cb 0.26 -0.06 0.21 0.00 0.22 0.00 0.00 39.33 39.96 2dm2 h ASP 77 CO -0.01 0.33 -1.03 -0.90 -1.72 0.00 0.00 179.24 175.91 2dm2 n ASP 78 N -4.80 -3.34 0.00 6.45 5.75 -1.07 -4.82 116.55 114.72 2dm2 n ASP 78 Ca 0.11 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 2dm2 n ASP 78 Cb 0.25 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 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 2.37 -0.00 2.61 6.12 0.00 -1.25 -5.03 105.19 110.01 2dm2 n GLY 79 Ca 0.05 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 2.54 0.44 1.61 -0.87 -1.26 -2.85 114.94 110.55 2dm2 s ASN 80 Ca 0.00 -0.72 -0.15 0.00 -1.57 0.00 0.00 52.86 50.43 2dm2 s ASN 80 Cb 0.00 -0.28 -0.08 0.00 -0.02 0.00 0.00 41.25 40.87 2dm2 s ASN 80 CO 0.00 -0.36 0.88 -0.31 -2.57 0.00 0.00 177.10 174.74 2dm2 s TYR 81 N 2.12 3.43 -0.03 2.20 1.51 -0.81 -3.35 117.35 122.41 2dm2 s TYR 81 Ca 0.03 1.31 -0.02 0.00 -1.01 0.00 0.00 57.07 57.38 2dm2 s TYR 81 Cb -0.16 -2.65 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 2dm2 s TYR 81 CO -0.13 -0.19 0.08 0.99 -1.11 0.00 0.00 175.55 175.19 2dm2 s THR 82 N -2.41 -0.01 -0.05 -0.71 2.01 -1.10 -0.19 115.64 113.18 2dm2 s THR 82 Ca 0.56 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.61 2dm2 s THR 82 Cb -0.10 -0.12 0.03 0.00 0.01 0.00 0.00 72.50 72.31 2dm2 s THR 82 CO 0.27 0.02 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.70 2dm2 s ILE 83 N 0.29 0.40 -0.07 1.82 2.07 -1.23 -0.16 121.20 124.32 2dm2 s ILE 83 Ca -0.02 0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.28 2dm2 s ILE 83 Cb -0.03 -0.49 -0.00 0.00 0.13 0.00 0.00 42.46 42.06 2dm2 s ILE 83 CO -0.01 0.22 -0.22 -0.32 -1.91 0.00 0.00 174.94 172.70 2dm2 s MET 84 N 1.36 2.45 0.09 3.50 -2.45 -1.06 -0.82 119.30 122.36 2dm2 s MET 84 Ca -0.04 -0.80 0.02 0.00 -1.25 0.00 0.00 55.69 53.61 2dm2 s MET 84 Cb -0.13 -2.01 -0.04 0.00 1.25 0.00 0.00 34.83 33.89 2dm2 s MET 84 CO -0.02 0.28 0.16 0.00 1.05 0.00 0.00 175.02 176.48 2dm2 s ALA 85 N 0.07 3.80 -0.12 4.11 0.00 -0.29 -2.92 121.76 126.40 2dm2 s ALA 85 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2dm2 s ALA 85 Cb -0.14 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.34 2dm2 s ALA 85 CO 0.05 0.74 -0.19 0.00 0.00 0.00 0.00 175.76 176.36 2dm2 s ALA 86 N -1.51 2.35 -0.07 0.00 0.00 -0.77 -3.14 121.76 118.63 2dm2 s ALA 86 Ca 0.32 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.22 2dm2 s ALA 86 Cb -0.12 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.01 2dm2 s ALA 86 CO 0.25 0.20 0.24 1.21 0.00 0.00 0.00 175.76 177.66 2dm2 s ASN 87 N 0.47 -0.20 0.00 0.00 2.47 -1.20 -1.71 114.94 114.77 2dm2 s ASN 87 Ca -0.13 0.32 0.08 0.00 0.42 0.00 0.00 52.86 53.55 2dm2 s ASN 87 Cb -0.17 0.43 0.48 0.00 -1.45 0.00 0.00 41.25 40.54 2dm2 s ASN 87 CO 0.06 -0.18 0.93 -0.81 -3.72 0.00 0.00 177.10 173.37 2dm2 n PRO 88 N 2.46 0.49 0.00 0.43 -0.04 -1.26 -1.81 135.00 135.27 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 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.76 0.93 0.00 0.54 1.13 -1.26 -5.10 117.38 112.86 2dm2 n GLN 89 Ca 0.06 -0.24 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 2dm2 n GLN 89 Cb 0.03 -0.70 0.00 0.00 0.11 0.00 0.00 30.24 29.68 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 0.20 4.23 3.40 1.08 0.00 -0.75 -4.30 105.19 109.05 2dm2 n GLY 90 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.82 1.43 0.24 1.61 1.70 -1.26 -3.27 118.95 116.57 2dm2 s ARG 91 Ca 0.00 -1.39 0.01 0.00 -0.47 0.00 0.00 55.73 53.87 2dm2 s ARG 91 Cb 0.00 -1.88 -0.04 0.00 -0.57 0.00 0.00 34.95 32.46 2dm2 s ARG 91 CO 0.00 0.44 0.15 0.96 -1.08 0.00 0.00 175.30 175.76 2dm2 s ILE 92 N -1.22 0.12 0.11 4.99 -4.36 -1.19 -5.00 121.20 114.66 2dm2 s ILE 92 Ca 0.16 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.45 2dm2 s ILE 92 Cb -0.09 -2.52 -0.00 0.00 1.25 0.00 0.00 42.46 41.09 2dm2 s ILE 92 CO 0.07 0.00 0.23 -0.94 0.24 0.00 0.00 174.94 174.54 2dm2 s SER 93 N -3.24 0.07 0.34 4.36 1.04 -1.26 -1.13 113.70 113.88 2dm2 s SER 93 Ca 0.39 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 56.16 2dm2 s SER 93 Cb 0.06 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2dm2 s SER 93 CO 0.15 -0.79 0.16 0.00 0.98 0.00 0.00 173.24 173.74 2dm2 s THR 95 N -3.44 -0.45 0.28 0.00 2.01 -1.26 -3.56 115.64 109.21 2dm2 s THR 95 Ca 0.32 0.05 0.07 0.00 0.31 0.00 0.00 61.69 62.44 2dm2 s THR 95 Cb 0.04 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 2dm2 s THR 95 CO 0.18 -0.06 0.24 -0.83 -0.69 0.00 0.00 174.62 173.45 2dm2 s GLY 96 N 2.44 1.53 0.02 4.40 0.00 0.73 -4.84 107.32 111.60 2dm2 s GLY 96 Ca 0.06 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.30 2dm2 s GLY 96 CO -0.12 -1.49 -0.04 -1.60 0.00 0.00 0.00 173.10 169.84 2dm2 s ARG 97 N -3.90 0.36 -0.02 2.90 6.06 -1.26 -1.93 118.95 121.17 2dm2 s ARG 97 Ca 0.36 -0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.03 2dm2 s ARG 97 Cb -0.07 -0.07 0.01 0.00 0.06 0.00 0.00 34.95 34.88 2dm2 s ARG 97 CO 0.26 0.00 -0.00 -0.51 -2.50 0.00 0.00 175.30 172.54 2dm2 s LEU 98 N -1.25 1.53 -0.37 -0.88 1.43 -1.13 -4.05 118.68 113.94 2dm2 s LEU 98 Ca -0.11 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2dm2 s LEU 98 Cb -0.08 -0.15 0.09 0.00 0.03 0.00 0.00 46.19 46.08 2dm2 s LEU 98 CO -0.00 -0.05 0.13 -0.04 0.23 0.00 0.00 176.35 176.62 2dm2 s MET 99 N 0.55 2.06 -0.22 1.70 -1.94 -1.21 -3.75 119.30 116.50 2dm2 s MET 99 Ca -0.05 -1.67 -0.10 0.00 -1.71 0.00 0.00 55.69 52.15 2dm2 s MET 99 Cb -0.08 -3.44 -0.05 0.00 2.01 0.00 0.00 34.83 33.28 2dm2 s MET 99 CO -0.01 -0.93 0.15 0.08 -0.01 0.00 0.00 175.02 174.30 2dm2 s VAL 100 N 1.15 5.38 -0.26 -6.03 1.01 -1.26 -2.62 120.40 117.77 2dm2 s VAL 100 Ca 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2dm2 s VAL 100 Cb -0.21 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2dm2 s VAL 100 CO -0.04 0.39 0.03 -1.10 0.00 0.00 0.00 175.10 174.38 2dm2 s GLN 101 N 0.71 3.24 -0.19 2.72 -1.52 -1.18 -4.85 119.66 118.59 2dm2 s GLN 101 Ca 0.08 -0.74 -0.32 0.00 -1.95 0.00 0.00 55.36 52.44 2dm2 s GLN 101 Cb -0.12 -3.21 -0.09 0.00 -0.22 0.00 0.00 33.01 29.37 2dm2 s GLN 101 CO 0.01 -0.33 2.10 0.00 -0.25 0.00 0.00 175.29 176.83 2dm2 n ALA 102 N 4.83 1.37 -0.34 6.09 0.00 -1.26 -0.14 120.51 131.07 2dm2 n ALA 102 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2dm2 n ALA 102 Cb 0.49 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.24 2dm2 n ALA 102 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dm2 n VAL 103 N 6.70 0.16 -3.64 0.00 3.14 -1.26 -4.91 118.33 118.53 2dm2 n VAL 103 Ca 0.30 -0.41 -0.04 0.00 -2.96 0.00 0.00 64.34 61.23 2dm2 n VAL 103 Cb 0.35 1.17 -0.07 0.00 -1.06 0.00 0.00 33.84 34.24 2dm2 n VAL 103 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2dm2 s ASN 104 N -0.16 -0.59 0.31 6.55 2.20 -1.26 -5.04 114.94 116.95 2dm2 s ASN 104 Ca 0.00 0.96 -0.29 0.00 -0.94 0.00 0.00 52.86 52.59 2dm2 s ASN 104 Cb 0.00 1.22 -0.12 0.00 -2.00 0.00 0.00 41.25 40.36 2dm2 s ASN 104 CO 0.00 -0.15 1.49 -1.54 -2.94 0.00 0.00 177.10 173.95 2dm2 n SER 105 N 3.72 3.48 -0.80 3.54 3.41 -1.26 -5.01 113.62 120.70 2dm2 n SER 105 Ca -0.18 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2dm2 n SER 105 Cb 0.58 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 2dm2 n SER 105 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm2 n GLY 106 N 1.51 1.40 0.00 5.00 0.00 -1.26 -4.95 105.19 106.89 2dm2 n GLY 106 Ca 0.07 -1.98 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2dm2 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm2 n PRO 107 N -0.17 0.28 -1.55 1.61 -0.04 -1.26 -4.85 135.00 129.02 2dm2 n PRO 107 Ca 0.00 0.11 -0.56 0.00 -0.04 0.00 0.00 63.50 63.01 2dm2 n PRO 107 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2dm2 n PRO 107 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm2 n SER 108 N -1.21 0.89 -4.71 3.54 3.41 -1.26 -4.84 113.62 109.44 2dm2 n SER 108 Ca 0.08 1.14 -0.42 0.00 -0.26 0.00 0.00 58.87 59.41 2dm2 n SER 108 Cb 0.10 -1.06 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dm2 s SER 109 N 0.39 6.75 0.00 4.04 1.04 -1.26 -5.18 113.70 119.47 2dm2 s SER 109 Ca 0.88 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.69 2dm2 s SER 109 Cb -1.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.42 2dm2 s SER 109 CO 0.53 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.63