#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 1.71 -3.65 1.61 7.64 -1.26 -4.84 113.62 114.82 2dm2 n SER 2 Ca 0.00 -1.10 -0.11 0.00 1.01 0.00 0.00 58.87 58.66 2dm2 n SER 2 Cb 0.00 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 61.59 2dm2 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm2 s SER 3 N 10.58 -0.24 -0.16 6.43 0.01 -1.26 -5.10 113.70 123.96 2dm2 s SER 3 Ca 0.98 -0.19 -0.13 0.00 1.31 0.00 0.00 55.95 57.92 2dm2 s SER 3 Cb -0.22 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 2dm2 s SER 3 CO 0.18 -0.77 -0.25 0.61 0.41 0.00 0.00 173.24 173.42 2dm2 n GLY 4 N 0.09 -0.77 3.27 3.44 0.00 -1.26 -5.07 105.19 104.90 2dm2 n GLY 4 Ca -0.17 -0.23 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 -5.86 0.95 0.27 1.61 1.04 -1.26 -5.18 113.70 105.28 2dm2 s SER 5 Ca -0.21 -1.49 -0.14 0.00 0.48 0.00 0.00 55.95 54.58 2dm2 s SER 5 Cb 0.03 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2dm2 s SER 5 CO 0.32 -0.87 0.56 -0.44 0.98 0.00 0.00 173.24 173.79 2dm2 s SER 6 N -3.28 -0.06 0.00 7.02 0.01 -1.26 -5.04 113.70 111.09 2dm2 s SER 6 Ca 0.38 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2dm2 s SER 6 Cb 0.06 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2dm2 s SER 6 CO 0.16 -1.24 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2dm2 n GLY 7 N -0.42 2.49 3.71 3.44 0.00 -1.26 -5.12 105.19 108.03 2dm2 n GLY 7 Ca -0.02 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 1.71 0.60 4.61 0.00 -1.26 -4.10 121.76 123.31 2dm2 s ALA 8 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 2dm2 s ALA 8 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2dm2 s ALA 8 CO 0.00 -2.33 1.12 -1.25 0.00 0.00 0.00 175.76 173.30 2dm2 s PRO 9 N -4.79 3.10 -0.27 0.00 0.04 -1.26 -4.35 135.00 127.47 2dm2 s PRO 9 Ca 0.64 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 2dm2 s PRO 9 Cb -0.20 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.45 2dm2 s PRO 9 CO 0.57 -1.03 0.63 -0.59 0.04 0.00 0.00 177.00 176.62 2dm2 s PHE 10 N -2.03 -1.06 -0.34 0.56 -0.12 -1.24 -4.87 117.98 108.88 2dm2 s PHE 10 Ca 0.70 2.05 -0.29 0.00 -0.05 0.00 0.00 56.93 59.34 2dm2 s PHE 10 Cb -0.22 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 2dm2 s PHE 10 CO 0.34 -0.54 1.66 -0.06 -0.05 0.00 0.00 175.22 176.57 2dm2 s PHE 11 N 1.94 2.02 0.16 3.49 0.08 -1.26 -1.67 117.98 122.74 2dm2 s PHE 11 Ca -0.09 0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.61 2dm2 s PHE 11 Cb -0.07 -4.16 -0.01 0.00 -0.57 0.00 0.00 43.02 38.20 2dm2 s PHE 11 CO -0.19 -2.67 1.38 0.93 -0.10 0.00 0.00 175.22 174.57 2dm2 h GLU 12 N 11.93 0.22 -2.98 0.44 5.08 -0.72 -3.40 114.58 125.15 2dm2 h GLU 12 Ca -0.32 -0.24 -0.59 0.00 -1.00 0.00 0.00 59.36 57.22 2dm2 h GLU 12 Cb 1.15 0.07 -0.40 0.00 0.50 0.00 0.00 28.75 30.07 2dm2 h GLU 12 CO 1.04 0.96 -0.78 1.41 -1.00 0.00 0.00 179.01 180.64 2dm2 s MET 13 N -3.23 0.79 1.09 2.33 1.75 -1.20 -4.90 119.30 115.93 2dm2 s MET 13 Ca -0.03 -1.40 -0.15 0.00 -1.25 0.00 0.00 55.69 52.87 2dm2 s MET 13 Cb 0.10 -1.79 0.16 0.00 2.84 0.00 0.00 34.83 36.14 2dm2 s MET 13 CO 0.83 -1.12 0.54 1.63 -0.65 0.00 0.00 175.02 176.25 2dm2 n LYS 14 N 4.22 -1.54 -2.58 4.11 4.01 -1.26 -3.44 118.16 121.68 2dm2 n LYS 14 Ca 0.05 -0.42 -0.36 0.00 -0.51 0.00 0.00 58.31 57.07 2dm2 n LYS 14 Cb 0.38 -1.96 -0.04 0.00 -0.51 0.00 0.00 35.03 32.90 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 -3.81 4.11 0.19 -0.35 1.43 -1.26 -4.85 118.68 114.13 2dm2 s LEU 15 Ca 0.62 1.99 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 2dm2 s LEU 15 Cb -0.19 -4.24 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2dm2 s LEU 15 CO 0.65 -0.49 0.09 -0.75 0.23 0.00 0.00 176.35 176.08 2dm2 s LYS 16 N -2.59 2.69 -0.24 1.70 2.20 -1.26 -4.99 119.74 117.25 2dm2 s LYS 16 Ca 0.59 -1.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.00 2dm2 s LYS 16 Cb -0.20 -2.50 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2dm2 s LYS 16 CO 0.26 0.45 0.49 -1.01 -0.36 0.00 0.00 175.35 175.17 2dm2 s HIS 17 N -1.85 3.31 -0.06 4.03 3.76 -1.26 -4.69 115.29 118.52 2dm2 s HIS 17 Ca 0.30 0.65 0.05 0.00 -0.15 0.00 0.00 55.06 55.91 2dm2 s HIS 17 Cb -0.09 -2.67 -0.00 0.00 1.11 0.00 0.00 32.58 30.93 2dm2 s HIS 17 CO 0.22 -0.19 -0.22 0.71 -0.85 0.00 0.00 174.74 174.41 2dm2 s TYR 18 N 1.98 2.18 -0.33 1.40 2.02 -1.25 -5.10 117.35 118.25 2dm2 s TYR 18 Ca 0.21 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.19 2dm2 s TYR 18 Cb -0.15 -1.46 0.07 0.00 -0.40 0.00 0.00 41.96 40.02 2dm2 s TYR 18 CO 0.09 -0.25 0.05 0.21 -1.57 0.00 0.00 175.55 174.08 2dm2 s LYS 19 N 0.06 2.16 0.54 -0.62 2.20 -1.26 -3.24 119.74 119.57 2dm2 s LYS 19 Ca -0.08 -1.51 0.02 0.00 -0.36 0.00 0.00 55.97 54.05 2dm2 s LYS 19 Cb -0.14 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2dm2 s LYS 19 CO 0.04 -0.78 0.16 0.96 -0.36 0.00 0.00 175.35 175.38 2dm2 s ILE 20 N 1.15 1.24 0.18 5.43 -4.36 -0.81 -5.00 121.20 119.03 2dm2 s ILE 20 Ca 0.00 -1.81 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2dm2 s ILE 20 Cb -0.20 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 2dm2 s ILE 20 CO -0.03 0.00 0.21 -0.36 0.24 0.00 0.00 174.94 175.00 2dm2 s PHE 21 N -2.86 3.28 0.00 1.37 0.40 -1.26 -1.28 117.98 117.63 2dm2 s PHE 21 Ca 0.13 0.01 -0.37 0.00 -0.60 0.00 0.00 56.93 56.11 2dm2 s PHE 21 Cb -0.01 -1.55 -0.15 0.00 0.51 0.00 0.00 43.02 41.82 2dm2 s PHE 21 CO 0.08 0.51 1.54 -1.91 0.70 0.00 0.00 175.22 176.14 2dm2 n GLU 22 N -0.66 1.46 0.00 0.44 4.07 0.11 -1.13 120.64 124.93 2dm2 n GLU 22 Ca -0.08 0.53 0.00 0.00 -0.06 0.00 0.00 57.16 57.55 2dm2 n GLU 22 Cb 0.55 -2.23 0.00 0.00 -0.06 0.00 0.00 31.44 29.71 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dm2 n GLY 23 N 3.27 3.06 3.77 8.31 0.00 -0.87 -4.63 105.19 118.11 2dm2 n GLY 23 Ca 0.20 -0.83 -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 1.06 0.00 0.00 0.00 173.32 174.38 2dm2 s MET 24 N 0.00 4.14 1.03 1.61 -1.94 -0.28 -4.13 119.30 119.72 2dm2 s MET 24 Ca 0.00 2.39 -0.13 0.00 -1.71 0.00 0.00 55.69 56.24 2dm2 s MET 24 Cb 0.00 -2.95 0.20 0.00 2.01 0.00 0.00 34.83 34.09 2dm2 s MET 24 CO 0.00 -0.43 1.09 -1.25 -0.01 0.00 0.00 175.02 174.42 2dm2 s PRO 25 N -2.04 0.21 -0.03 2.03 0.04 -1.26 -4.07 135.00 129.89 2dm2 s PRO 25 Ca 0.53 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.86 2dm2 s PRO 25 Cb -0.43 -1.72 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2dm2 s PRO 25 CO 0.57 -2.86 0.33 0.54 0.04 0.00 0.00 177.00 175.62 2dm2 s VAL 26 N -2.97 0.05 0.03 -0.36 0.11 -1.10 -4.98 120.40 111.18 2dm2 s VAL 26 Ca 0.66 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2dm2 s VAL 26 Cb -0.18 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2dm2 s VAL 26 CO 0.58 -0.22 -0.09 -0.89 -3.33 0.00 0.00 175.10 171.14 2dm2 s THR 27 N -1.15 0.70 -0.21 5.04 2.01 -1.26 -1.47 115.64 119.31 2dm2 s THR 27 Ca -0.12 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 2dm2 s THR 27 Cb -0.05 -0.68 0.07 0.00 0.01 0.00 0.00 72.50 71.85 2dm2 s THR 27 CO 0.04 -0.12 0.05 -0.36 -0.69 0.00 0.00 174.62 173.54 2dm2 s PHE 28 N -0.87 1.03 -0.11 4.92 0.08 0.11 -4.96 117.98 118.18 2dm2 s PHE 28 Ca -0.03 -0.95 -0.01 0.00 0.12 0.00 0.00 56.93 56.06 2dm2 s PHE 28 Cb -0.07 -1.09 -0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2dm2 s PHE 28 CO 0.01 -0.65 -0.05 0.99 -0.10 0.00 0.00 175.22 175.41 2dm2 s THR 29 N 1.85 3.86 -0.21 0.64 2.01 -1.26 -1.54 115.64 120.99 2dm2 s THR 29 Ca 0.01 -0.40 -0.17 0.00 0.31 0.00 0.00 61.69 61.44 2dm2 s THR 29 Cb -0.17 -2.63 0.06 0.00 0.01 0.00 0.00 72.50 69.77 2dm2 s THR 29 CO -0.12 0.56 0.54 0.00 -0.69 0.00 0.00 174.62 174.91 2dm2 s ARG 31 N 0.60 4.17 0.02 0.00 0.52 -1.22 -3.33 118.95 119.71 2dm2 s ARG 31 Ca -0.02 -0.21 0.07 0.00 -0.52 0.00 0.00 55.73 55.05 2dm2 s ARG 31 Cb -0.05 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2dm2 s ARG 31 CO -0.03 0.25 -0.20 0.08 0.02 0.00 0.00 175.30 175.42 2dm2 s VAL 32 N 0.49 2.60 0.46 3.52 1.01 -1.26 0.07 120.40 127.28 2dm2 s VAL 32 Ca 0.09 -1.15 0.08 0.00 0.00 0.00 0.00 61.98 60.99 2dm2 s VAL 32 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2dm2 s VAL 32 CO -0.01 0.41 0.45 0.00 0.00 0.00 0.00 175.10 175.96 2dm2 s ALA 33 N -0.83 4.25 0.00 5.51 0.00 -0.67 -4.91 121.76 125.11 2dm2 s ALA 33 Ca 0.13 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.30 2dm2 s ALA 33 Cb -0.10 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.94 2dm2 s ALA 33 CO 0.03 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.86 2dm2 n GLY 34 N -1.69 3.87 2.76 0.00 0.00 -1.26 -3.71 105.19 105.15 2dm2 n GLY 34 Ca 0.04 -1.34 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 2dm2 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s ASN 35 N 0.00 1.46 0.48 1.61 2.20 -1.26 -1.32 114.94 118.11 2dm2 s ASN 35 Ca 0.00 -0.06 -0.22 0.00 -0.94 0.00 0.00 52.86 51.64 2dm2 s ASN 35 Cb 0.00 -0.39 -0.07 0.00 -2.00 0.00 0.00 41.25 38.79 2dm2 s ASN 35 CO 0.00 -0.19 1.16 -2.16 -2.94 0.00 0.00 177.10 172.96 2dm2 s PRO 36 N 1.93 3.67 0.09 3.55 0.04 -1.26 -4.97 135.00 138.05 2dm2 s PRO 36 Ca 0.04 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 2dm2 s PRO 36 Cb -0.12 -2.31 -0.13 0.00 0.04 0.00 0.00 34.50 31.98 2dm2 s PRO 36 CO -0.05 -0.62 0.50 0.36 0.04 0.00 0.00 177.00 177.23 2dm2 n LYS 37 N -0.67 0.00 -1.18 4.56 0.00 -0.43 -4.89 118.16 115.55 2dm2 n LYS 37 Ca 0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.10 2dm2 n LYS 37 Cb 0.49 -0.82 0.16 0.00 -0.00 0.00 0.00 35.03 34.85 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 -0.47 0.84 -0.57 -1.58 0.04 -1.26 -4.97 135.00 127.03 2dm2 s PRO 38 Ca 0.51 0.67 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 2dm2 s PRO 38 Cb -0.73 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.08 2dm2 s PRO 38 CO 0.40 -2.49 0.97 0.15 0.04 0.00 0.00 177.00 176.07 2dm2 s LYS 39 N -4.95 3.31 0.14 4.56 3.01 -0.36 -4.78 119.74 120.67 2dm2 s LYS 39 Ca 0.64 -0.29 -0.27 0.00 -1.01 0.00 0.00 55.97 55.04 2dm2 s LYS 39 Cb -0.18 -4.07 -0.07 0.00 -1.01 0.00 0.00 37.83 32.49 2dm2 s LYS 39 CO 0.57 -1.56 0.84 0.42 0.51 0.00 0.00 175.35 176.14 2dm2 s ILE 40 N 4.10 4.42 -0.09 2.17 -1.09 -1.26 -2.94 121.20 126.51 2dm2 s ILE 40 Ca 0.30 1.84 -0.03 0.00 -2.23 0.00 0.00 60.65 60.53 2dm2 s ILE 40 Cb -0.13 -4.21 0.05 0.00 -1.58 0.00 0.00 42.46 36.59 2dm2 s ILE 40 CO 0.18 0.44 0.17 -0.31 -1.23 0.00 0.00 174.94 174.19 2dm2 s TYR 41 N -0.66 -0.19 0.15 3.97 2.02 -1.01 -5.01 117.35 116.60 2dm2 s TYR 41 Ca 0.40 0.63 -0.25 0.00 -0.37 0.00 0.00 57.07 57.48 2dm2 s TYR 41 Cb -0.23 -0.25 -0.08 0.00 -0.40 0.00 0.00 41.96 41.01 2dm2 s TYR 41 CO 0.27 -0.28 0.75 -1.58 -1.57 0.00 0.00 175.55 173.15 2dm2 s TRP 42 N 2.29 3.89 -0.06 2.71 0.52 -1.26 -2.70 118.94 124.33 2dm2 s TRP 42 Ca 0.03 1.58 0.00 0.00 0.02 0.00 0.00 56.10 57.73 2dm2 s TRP 42 Cb -0.12 -2.74 0.02 0.00 -1.15 0.00 0.00 33.47 29.48 2dm2 s TRP 42 CO -0.06 0.51 -0.03 -0.06 0.02 0.00 0.00 176.95 177.33 2dm2 s PHE 43 N -1.06 0.75 -0.42 -1.98 0.08 -0.51 -3.25 117.98 111.59 2dm2 s PHE 43 Ca 0.35 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 2dm2 s PHE 43 Cb -0.23 -0.75 0.07 0.00 -0.57 0.00 0.00 43.02 41.55 2dm2 s PHE 43 CO 0.25 -0.26 0.26 0.21 -0.10 0.00 0.00 175.22 175.58 2dm2 s LYS 44 N 1.37 2.68 -0.31 0.44 2.36 -0.56 -1.68 119.74 124.05 2dm2 s LYS 44 Ca -0.04 -1.38 0.00 0.00 -2.55 0.00 0.00 55.97 52.01 2dm2 s LYS 44 Cb -0.13 -3.81 0.00 0.00 -1.05 0.00 0.00 37.83 32.84 2dm2 s LYS 44 CO -0.03 -0.91 0.00 -3.47 1.55 0.00 0.00 175.35 172.49 2dm2 n ASP 45 N 4.96 -1.72 -0.24 1.43 -0.08 -1.23 -0.89 116.55 118.78 2dm2 n ASP 45 Ca -0.11 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 2dm2 n ASP 45 Cb 0.44 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 42.28 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 -0.53 0.63 3.06 0.27 0.00 -1.26 -5.11 105.19 102.26 2dm2 n GLY 46 Ca -0.04 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.68 0.37 0.39 1.61 1.02 -0.07 -5.14 119.74 117.24 2dm2 s LYS 47 Ca 0.00 0.75 -0.27 0.00 0.02 0.00 0.00 55.97 56.47 2dm2 s LYS 47 Cb 0.00 -0.11 -0.11 0.00 -0.52 0.00 0.00 37.83 37.10 2dm2 s LYS 47 CO 0.00 -0.51 1.32 0.94 -0.92 0.00 0.00 175.35 176.18 2dm2 n GLN 48 N 5.38 2.13 -4.17 1.68 -0.06 -1.26 -1.50 117.38 119.58 2dm2 n GLN 48 Ca -0.05 0.75 -0.33 0.00 -2.00 0.00 0.00 57.00 55.37 2dm2 n GLN 48 Cb 0.50 -2.42 -0.16 0.00 -4.06 0.00 0.00 30.24 24.10 2dm2 n GLN 48 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2dm2 s ILE 49 N -1.15 2.11 0.33 1.69 1.01 -1.20 -4.91 121.20 119.09 2dm2 s ILE 49 Ca 0.58 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 2dm2 s ILE 49 Cb -0.52 -1.88 -0.10 0.00 0.01 0.00 0.00 42.46 39.97 2dm2 s ILE 49 CO 0.60 0.54 0.99 -0.55 0.00 0.00 0.00 174.94 176.52 2dm2 s SER 50 N 1.24 7.18 0.48 3.58 0.15 -1.26 -4.73 113.70 120.34 2dm2 s SER 50 Ca 0.04 1.96 0.26 0.00 0.70 0.00 0.00 55.95 58.90 2dm2 s SER 50 Cb -0.13 -2.59 1.11 0.00 -1.71 0.00 0.00 66.02 62.70 2dm2 s SER 50 CO -0.11 -0.18 1.91 1.55 1.20 0.00 0.00 173.24 177.60 2dm2 h PRO 51 N 3.12 0.00 -0.91 5.44 0.13 -1.88 -2.80 132.00 135.10 2dm2 h PRO 51 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.42 2dm2 h PRO 51 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2dm2 h PRO 51 CO 0.65 0.17 0.30 1.63 -0.23 0.00 0.00 178.00 180.52 2dm2 n LYS 52 N -3.40 2.44 -2.69 0.86 5.02 -1.26 -4.06 118.16 115.08 2dm2 n LYS 52 Ca -0.00 -2.08 -0.40 0.00 -2.02 0.00 0.00 58.31 53.80 2dm2 n LYS 52 Cb 0.37 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dm2 s SER 53 N -0.55 7.56 0.07 4.39 0.15 -1.06 -4.93 113.70 119.33 2dm2 s SER 53 Ca 0.38 2.02 0.20 0.00 0.70 0.00 0.00 55.95 59.26 2dm2 s SER 53 Cb 0.31 -2.61 0.84 0.00 -1.71 0.00 0.00 66.02 62.85 2dm2 s SER 53 CO 0.09 0.09 1.64 -0.67 1.20 0.00 0.00 173.24 175.59 2dm2 n ASP 54 N 1.43 0.19 0.00 5.45 2.03 -1.26 -4.10 116.55 120.29 2dm2 n ASP 54 Ca -0.02 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2dm2 n ASP 54 Cb 0.47 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 2dm2 n ASP 54 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2dm2 n HIS 55 N -1.70 0.00 -2.71 -0.67 -0.00 -1.26 -4.97 115.22 103.91 2dm2 n HIS 55 Ca 0.04 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.80 2dm2 n HIS 55 Cb 0.24 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 2dm2 n HIS 55 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2dm2 s TYR 56 N -0.82 3.63 -0.42 1.57 2.02 -1.26 -4.30 117.35 117.76 2dm2 s TYR 56 Ca 0.00 1.67 -0.11 0.00 -0.37 0.00 0.00 57.07 58.26 2dm2 s TYR 56 Cb 0.00 -3.13 0.07 0.00 -0.40 0.00 0.00 41.96 38.50 2dm2 s TYR 56 CO 0.00 -0.06 0.27 0.99 -1.57 0.00 0.00 175.55 175.18 2dm2 s THR 57 N 1.23 4.49 -0.49 -0.71 2.01 -0.37 -4.04 115.64 117.75 2dm2 s THR 57 Ca 0.51 -1.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.19 2dm2 s THR 57 Cb -0.20 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 68.75 2dm2 s THR 57 CO 0.26 -0.45 0.39 -0.63 -0.69 0.00 0.00 174.62 173.49 2dm2 s ILE 58 N 1.49 4.50 -0.05 1.82 1.01 -1.26 -2.02 121.20 126.69 2dm2 s ILE 58 Ca 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 60.65 59.00 2dm2 s ILE 58 Cb -0.22 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2dm2 s ILE 58 CO 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 174.94 174.11 2dm2 s GLN 59 N 1.43 1.19 0.05 2.79 -2.07 -1.19 -4.85 119.66 117.01 2dm2 s GLN 59 Ca 0.05 -0.23 0.05 0.00 -1.82 0.00 0.00 55.36 53.41 2dm2 s GLN 59 Cb -0.27 -1.08 -0.04 0.00 -1.09 0.00 0.00 33.01 30.53 2dm2 s GLN 59 CO 0.00 -0.05 -0.09 0.50 -1.32 0.00 0.00 175.29 174.34 2dm2 s ARG 60 N 0.84 2.36 0.87 9.60 3.52 -1.26 -3.03 118.95 131.86 2dm2 s ARG 60 Ca -0.12 -0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.50 2dm2 s ARG 60 Cb -0.15 -2.40 0.12 0.00 -1.56 0.00 0.00 34.95 30.95 2dm2 s ARG 60 CO 0.01 0.56 1.16 -0.51 -0.81 0.00 0.00 175.30 175.71 2dm2 s ASP 61 N -1.74 3.91 0.12 -2.12 1.11 -1.17 -4.87 116.67 111.92 2dm2 s ASP 61 Ca 0.19 0.86 -0.24 0.00 0.18 0.00 0.00 52.55 53.54 2dm2 s ASP 61 Cb -0.11 -1.38 -0.07 0.00 1.07 0.00 0.00 42.92 42.43 2dm2 s ASP 61 CO 0.10 -2.29 1.67 -0.07 1.18 0.00 0.00 175.17 175.76 2dm2 h LEU 62 N -1.32 -0.46 -1.15 1.23 3.38 -2.00 -1.84 115.31 113.14 2dm2 h LEU 62 Ca -0.48 0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.76 2dm2 h LEU 62 Cb 1.33 0.20 -0.10 0.00 0.09 0.00 0.00 40.66 42.18 2dm2 h LEU 62 CO 0.63 -0.22 0.62 0.44 0.09 0.00 0.00 178.44 180.00 2dm2 h ASP 63 N -0.26 0.67 0.00 -0.43 3.32 -2.05 -3.45 116.42 114.21 2dm2 h ASP 63 Ca 0.05 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2dm2 h ASP 63 Cb 0.33 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2dm2 h ASP 63 CO -0.15 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 2dm2 n GLY 64 N -1.38 0.93 3.11 2.75 0.00 -0.69 -5.11 105.19 104.80 2dm2 n GLY 64 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 3.29 0.47 2.61 2.01 -1.25 -4.32 115.64 118.28 2dm2 s THR 65 Ca 0.00 -2.21 -0.24 0.00 0.31 0.00 0.00 61.69 59.55 2dm2 s THR 65 Cb 0.00 -3.25 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 2dm2 s THR 65 CO 0.00 -0.71 1.35 0.00 -0.69 0.00 0.00 174.62 174.57 2dm2 s SER 67 N -0.79 -0.34 -0.15 0.00 1.04 -1.17 -2.90 113.70 109.40 2dm2 s SER 67 Ca 0.64 0.75 -0.09 0.00 0.48 0.00 0.00 55.95 57.73 2dm2 s SER 67 Cb -0.40 1.49 -0.05 0.00 0.10 0.00 0.00 66.02 67.16 2dm2 s SER 67 CO 0.50 -0.26 0.15 -0.22 0.98 0.00 0.00 173.24 174.39 2dm2 s LEU 68 N 2.66 4.30 0.04 2.42 2.96 -0.59 -3.14 118.68 127.33 2dm2 s LEU 68 Ca 0.07 0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.41 2dm2 s LEU 68 Cb -0.14 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 2dm2 s LEU 68 CO -0.16 0.29 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.73 2dm2 s HIS 69 N -0.33 1.30 -0.28 5.38 5.65 -0.86 -0.71 115.29 125.44 2dm2 s HIS 69 Ca 0.12 -0.35 -0.02 0.00 0.25 0.00 0.00 55.06 55.06 2dm2 s HIS 69 Cb -0.12 -0.77 0.09 0.00 -1.18 0.00 0.00 32.58 30.60 2dm2 s HIS 69 CO 0.02 0.04 0.08 0.99 -0.65 0.00 0.00 174.74 175.22 2dm2 s THR 70 N -0.83 0.69 0.34 0.89 2.01 -0.54 -1.24 115.64 116.96 2dm2 s THR 70 Ca 0.02 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 60.94 2dm2 s THR 70 Cb -0.08 -1.44 0.29 0.00 0.01 0.00 0.00 72.50 71.28 2dm2 s THR 70 CO 0.01 -0.57 1.93 0.00 -0.69 0.00 0.00 174.62 175.30 2dm2 h THR 71 N 6.49 1.01 -3.36 -0.82 1.03 -1.88 -2.90 112.91 112.48 2dm2 h THR 71 Ca -0.15 -0.29 -0.49 0.00 -0.01 0.00 0.00 66.41 65.47 2dm2 h THR 71 Cb 1.04 0.09 -0.35 0.00 -1.07 0.00 0.00 68.15 67.86 2dm2 h THR 71 CO 0.44 0.15 -0.80 0.00 -0.01 0.00 0.00 175.52 175.30 2dm2 s ALA 72 N -5.76 1.13 -0.08 0.00 0.00 -1.26 -4.23 121.76 111.55 2dm2 s ALA 72 Ca -0.10 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.51 2dm2 s ALA 72 Cb 0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2dm2 s ALA 72 CO 0.78 -0.07 -0.13 -1.54 0.00 0.00 0.00 175.76 174.80 2dm2 s SER 73 N 1.04 4.06 0.02 0.00 1.04 -1.26 -5.00 113.70 113.60 2dm2 s SER 73 Ca -0.08 -0.24 0.07 0.00 0.48 0.00 0.00 55.95 56.18 2dm2 s SER 73 Cb -0.14 -1.19 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 2dm2 s SER 73 CO -0.01 0.27 -0.21 0.42 0.98 0.00 0.00 173.24 174.69 2dm2 s THR 74 N -0.27 1.71 0.29 2.02 -4.23 -1.26 -2.05 115.64 111.84 2dm2 s THR 74 Ca 0.02 -1.11 0.18 0.00 -1.18 0.00 0.00 61.69 59.60 2dm2 s THR 74 Cb -0.13 -1.46 0.29 0.00 1.34 0.00 0.00 72.50 72.55 2dm2 s THR 74 CO 0.03 0.31 1.13 0.18 -0.54 0.00 0.00 174.62 175.73 2dm2 n LEU 75 N 2.09 0.21 -0.00 4.79 7.99 -1.26 0.22 117.00 131.04 2dm2 n LEU 75 Ca -0.16 1.11 -0.12 0.00 -0.01 0.00 0.00 56.01 56.83 2dm2 n LEU 75 Cb 0.53 -0.54 -0.07 0.00 -0.11 0.00 0.00 43.42 43.23 2dm2 n LEU 75 CO 0.23 -1.23 0.83 -0.78 -1.51 0.00 0.00 177.39 174.93 2dm2 h ASP 76 N 0.00 0.09 -0.88 -1.43 3.58 -1.94 -2.36 116.42 113.48 2dm2 h ASP 76 Ca 0.62 -0.14 0.26 0.00 0.42 0.00 0.00 57.03 58.18 2dm2 h ASP 76 Cb 1.78 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 42.77 2dm2 h ASP 76 CO -0.46 0.21 0.77 0.44 -2.88 0.00 0.00 179.24 177.31 2dm2 h ASP 77 N -0.03 0.00 -3.91 2.28 5.19 0.23 -3.41 116.42 116.77 2dm2 h ASP 77 Ca 0.02 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.90 2dm2 h ASP 77 Cb 0.14 0.00 0.20 0.00 0.18 0.00 0.00 39.33 39.85 2dm2 h ASP 77 CO -0.00 0.00 -0.03 -0.90 -3.12 0.00 0.00 179.24 175.19 2dm2 n ASP 78 N -3.85 -0.29 0.00 6.45 5.75 -0.89 -4.80 116.55 118.92 2dm2 n ASP 78 Ca 0.19 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 2dm2 n ASP 78 Cb 1.07 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 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 0.82 0.47 2.85 6.12 0.00 -1.23 -4.97 105.19 109.24 2dm2 n GLY 79 Ca 0.11 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 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 0.91 -0.49 1.61 2.20 -1.26 -2.02 114.94 111.89 2dm2 s ASN 80 Ca 0.00 0.13 -0.23 0.00 -0.94 0.00 0.00 52.86 51.82 2dm2 s ASN 80 Cb 0.00 0.51 0.03 0.00 -2.00 0.00 0.00 41.25 39.79 2dm2 s ASN 80 CO 0.00 -0.29 0.84 -0.31 -2.94 0.00 0.00 177.10 174.40 2dm2 s TYR 81 N 2.36 2.92 -0.13 1.54 1.51 -1.23 -3.53 117.35 120.80 2dm2 s TYR 81 Ca 0.05 0.09 -0.17 0.00 -1.01 0.00 0.00 57.07 56.02 2dm2 s TYR 81 Cb -0.14 -3.82 -0.04 0.00 -0.11 0.00 0.00 41.96 37.84 2dm2 s TYR 81 CO -0.10 -1.12 0.44 0.99 -1.11 0.00 0.00 175.55 174.65 2dm2 s THR 82 N 3.51 5.21 -0.24 -0.71 2.01 -0.67 -2.71 115.64 122.03 2dm2 s THR 82 Ca 0.30 0.88 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2dm2 s THR 82 Cb -0.12 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2dm2 s THR 82 CO 0.21 0.33 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.87 2dm2 s ILE 83 N 0.63 2.51 0.09 1.82 2.07 -1.22 -1.43 121.20 125.68 2dm2 s ILE 83 Ca 0.24 -1.24 -0.03 0.00 -1.41 0.00 0.00 60.65 58.22 2dm2 s ILE 83 Cb -0.15 -2.32 -0.05 0.00 0.13 0.00 0.00 42.46 40.08 2dm2 s ILE 83 CO 0.09 0.16 0.28 -0.32 -1.91 0.00 0.00 174.94 173.24 2dm2 s MET 84 N 1.24 3.53 -0.04 3.50 -2.45 -1.10 -2.43 119.30 121.56 2dm2 s MET 84 Ca -0.02 -0.26 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 2dm2 s MET 84 Cb -0.17 -2.97 0.02 0.00 1.25 0.00 0.00 34.83 32.96 2dm2 s MET 84 CO -0.06 0.56 -0.06 0.00 1.05 0.00 0.00 175.02 176.51 2dm2 s ALA 85 N -1.55 0.70 -0.11 4.11 0.00 -0.75 -2.42 121.76 121.74 2dm2 s ALA 85 Ca 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2dm2 s ALA 85 Cb -0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2dm2 s ALA 85 CO 0.25 0.04 -0.13 0.00 0.00 0.00 0.00 175.76 175.92 2dm2 s ALA 86 N 0.65 2.65 -0.06 0.00 0.00 -1.15 -2.87 121.76 120.98 2dm2 s ALA 86 Ca -0.09 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2dm2 s ALA 86 Cb -0.12 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.84 2dm2 s ALA 86 CO 0.00 0.32 0.21 1.21 0.00 0.00 0.00 175.76 177.50 2dm2 s ASN 87 N 0.11 -0.17 0.00 0.00 3.84 -1.08 -1.23 114.94 116.41 2dm2 s ASN 87 Ca -0.06 0.28 0.08 0.00 0.21 0.00 0.00 52.86 53.37 2dm2 s ASN 87 Cb -0.15 0.38 0.48 0.00 -0.55 0.00 0.00 41.25 41.41 2dm2 s ASN 87 CO 0.05 -0.16 0.93 -0.81 -2.79 0.00 0.00 177.10 174.31 2dm2 n PRO 88 N 2.52 0.49 0.00 0.43 -0.04 -1.26 -1.85 135.00 135.29 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 -1.26 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 2.03 0.00 0.54 1.13 -1.26 -5.09 117.38 113.97 2dm2 n GLN 89 Ca 0.06 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 2dm2 n GLN 89 Cb 0.03 -0.59 0.00 0.00 0.11 0.00 0.00 30.24 29.78 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 0.34 3.38 3.31 1.08 0.00 -0.77 -4.22 105.19 108.30 2dm2 n GLY 90 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2dm2 n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dm2 s ARG 91 N -2.00 2.06 0.13 1.61 3.52 -1.26 -2.65 118.95 120.36 2dm2 s ARG 91 Ca 0.00 -0.94 -0.01 0.00 -0.13 0.00 0.00 55.73 54.65 2dm2 s ARG 91 Cb 0.00 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.34 2dm2 s ARG 91 CO 0.00 0.55 0.06 0.96 -0.81 0.00 0.00 175.30 176.06 2dm2 s ILE 92 N -0.62 0.10 0.14 4.11 -4.36 -1.14 -5.03 121.20 114.40 2dm2 s ILE 92 Ca 0.10 -1.91 -0.08 0.00 -0.26 0.00 0.00 60.65 58.50 2dm2 s ILE 92 Cb -0.10 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 2dm2 s ILE 92 CO -0.01 -0.45 0.24 -0.94 0.24 0.00 0.00 174.94 174.02 2dm2 s SER 93 N -3.05 0.09 0.28 4.36 1.04 -1.26 -1.82 113.70 113.34 2dm2 s SER 93 Ca 0.24 -0.85 -0.00 0.00 0.48 0.00 0.00 55.95 55.82 2dm2 s SER 93 Cb 0.07 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 2dm2 s SER 93 CO 0.02 -0.84 0.31 0.00 0.98 0.00 0.00 173.24 173.71 2dm2 s THR 95 N -3.64 0.09 0.21 0.00 2.01 -1.26 -3.43 115.64 109.61 2dm2 s THR 95 Ca 0.35 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2dm2 s THR 95 Cb 0.03 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.12 2dm2 s THR 95 CO 0.19 -0.40 0.03 -0.83 -0.69 0.00 0.00 174.62 172.92 2dm2 s GLY 96 N -1.34 1.45 -0.01 4.40 0.00 -1.10 -4.69 107.32 106.02 2dm2 s GLY 96 Ca -0.14 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 42.87 2dm2 s GLY 96 CO 0.01 -1.58 -0.03 -1.60 0.00 0.00 0.00 173.10 169.90 2dm2 s ARG 97 N -3.94 0.35 -0.05 2.90 6.06 -1.26 -3.49 118.95 119.52 2dm2 s ARG 97 Ca 0.29 -0.11 0.02 0.00 -2.50 0.00 0.00 55.73 53.44 2dm2 s ARG 97 Cb 0.07 -0.37 0.01 0.00 0.06 0.00 0.00 34.95 34.71 2dm2 s ARG 97 CO 0.08 0.04 -0.11 -0.51 -2.50 0.00 0.00 175.30 172.30 2dm2 s LEU 98 N 0.13 1.66 -0.30 -0.88 1.43 -0.86 -3.91 118.68 115.96 2dm2 s LEU 98 Ca -0.01 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2dm2 s LEU 98 Cb -0.04 -0.74 0.08 0.00 0.03 0.00 0.00 46.19 45.52 2dm2 s LEU 98 CO -0.00 0.04 0.01 -0.04 0.23 0.00 0.00 176.35 176.58 2dm2 s MET 99 N 0.53 1.53 -0.23 1.70 -1.94 -1.20 -3.53 119.30 116.16 2dm2 s MET 99 Ca -0.11 -1.46 -0.10 0.00 -1.71 0.00 0.00 55.69 52.31 2dm2 s MET 99 Cb -0.14 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 2dm2 s MET 99 CO 0.03 -0.81 0.13 0.08 -0.01 0.00 0.00 175.02 174.44 2dm2 s VAL 100 N 1.16 5.12 -0.36 -6.03 1.01 -1.26 -1.93 120.40 118.11 2dm2 s VAL 100 Ca 0.04 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 2dm2 s VAL 100 Cb -0.19 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2dm2 s VAL 100 CO -0.10 0.36 0.45 -1.10 0.00 0.00 0.00 175.10 174.71 2dm2 s GLN 101 N 1.01 3.52 -0.31 2.72 -0.21 -0.40 -4.82 119.66 121.17 2dm2 s GLN 101 Ca 0.06 -0.34 -0.34 0.00 0.02 0.00 0.00 55.36 54.76 2dm2 s GLN 101 Cb -0.14 -3.83 -0.10 0.00 1.00 0.00 0.00 33.01 29.94 2dm2 s GLN 101 CO 0.04 -0.63 2.18 0.00 -2.12 0.00 0.00 175.29 174.76 2dm2 n ALA 102 N 5.60 1.20 0.06 6.09 0.00 -1.26 -0.71 120.51 131.48 2dm2 n ALA 102 Ca -0.07 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.33 2dm2 n ALA 102 Cb 0.49 -2.61 0.07 0.00 0.00 0.00 0.00 19.45 17.39 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 7.21 0.58 -3.92 0.00 3.14 -1.26 -4.88 118.33 119.20 2dm2 n VAL 103 Ca 0.38 -0.79 -0.11 0.00 -2.96 0.00 0.00 64.34 60.87 2dm2 n VAL 103 Cb 0.27 0.77 -0.12 0.00 -1.06 0.00 0.00 33.84 33.70 2dm2 n VAL 103 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2dm2 s ASN 104 N -0.81 0.11 -0.16 6.55 3.84 -1.26 -5.00 114.94 118.20 2dm2 s ASN 104 Ca 0.11 -0.23 -0.04 0.00 0.21 0.00 0.00 52.86 52.92 2dm2 s ASN 104 Cb 0.07 0.06 -0.03 0.00 -0.55 0.00 0.00 41.25 40.80 2dm2 s ASN 104 CO 0.09 -0.15 -0.02 -0.55 -2.79 0.00 0.00 177.10 173.68 2dm2 s SER 105 N -0.71 4.92 0.00 -4.21 0.15 -1.26 -5.07 113.70 107.52 2dm2 s SER 105 Ca -0.08 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dm2 s SER 105 Cb -0.05 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2dm2 s SER 105 CO -0.00 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2dm2 n GLY 106 N 3.54 3.09 3.72 9.45 0.00 -1.26 -5.14 105.19 118.60 2dm2 n GLY 106 Ca -0.17 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.63 4.36 0.34 1.61 0.04 -1.26 -5.04 135.00 133.42 2dm2 s PRO 107 Ca 0.00 2.04 0.08 0.00 0.04 0.00 0.00 61.00 63.16 2dm2 s PRO 107 Cb 0.00 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 2dm2 s PRO 107 CO 0.00 -0.35 0.10 -1.54 0.04 0.00 0.00 177.00 175.25 2dm2 s SER 108 N 0.81 4.50 0.17 6.66 1.04 -1.26 -5.07 113.70 120.54 2dm2 s SER 108 Ca 0.61 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2dm2 s SER 108 Cb -0.36 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.11 2dm2 s SER 108 CO 0.33 -0.28 0.00 -0.24 0.98 0.00 0.00 173.24 174.03 2dm2 n SER 109 N -1.08 0.60 -0.82 7.02 2.88 -1.26 -5.27 113.62 115.69 2dm2 n SER 109 Ca -0.03 0.26 0.13 0.00 -1.33 0.00 0.00 58.87 57.90 2dm2 n SER 109 Cb 0.62 -0.05 0.22 0.00 -0.75 0.00 0.00 64.21 64.25 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42