#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 6.07 -0.45 1.61 0.01 -1.26 -5.00 113.70 114.68 2dm2 s SER 2 Ca 0.00 0.10 -0.41 0.00 1.31 0.00 0.00 55.95 56.95 2dm2 s SER 2 Cb 0.00 -2.09 -0.17 0.00 0.21 0.00 0.00 66.02 63.97 2dm2 s SER 2 CO 0.00 0.07 2.15 -1.20 0.41 0.00 0.00 173.24 174.67 2dm2 n SER 3 N 4.24 1.20 0.00 2.44 7.64 -1.26 -4.67 113.62 123.22 2dm2 n SER 3 Ca -0.15 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2dm2 n SER 3 Cb 0.52 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 7.16 3.09 3.93 0.23 0.00 -1.26 -5.16 105.19 113.17 2dm2 n GLY 4 Ca 0.50 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 6.20 -0.26 1.61 0.01 -1.26 -5.10 113.70 114.90 2dm2 s SER 5 Ca 0.00 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.38 2dm2 s SER 5 Cb 0.00 -1.82 0.06 0.00 0.21 0.00 0.00 66.02 64.47 2dm2 s SER 5 CO 0.00 0.02 -0.10 -0.44 0.41 0.00 0.00 173.24 173.13 2dm2 s SER 6 N -3.43 4.43 0.00 2.44 0.01 -1.26 -4.91 113.70 110.99 2dm2 s SER 6 Ca 0.34 -1.34 0.03 0.00 1.31 0.00 0.00 55.95 56.29 2dm2 s SER 6 Cb -0.10 -1.57 0.05 0.00 0.21 0.00 0.00 66.02 64.61 2dm2 s SER 6 CO 0.28 -0.19 0.81 0.61 0.41 0.00 0.00 173.24 175.16 2dm2 n GLY 7 N 4.46 0.76 3.73 3.44 0.00 -1.26 -5.13 105.19 111.19 2dm2 n GLY 7 Ca -0.14 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 2.18 0.62 4.61 0.00 -1.26 -3.97 121.76 123.95 2dm2 s ALA 8 Ca 0.04 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 2dm2 s ALA 8 Cb 0.04 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2dm2 s ALA 8 CO -0.02 -1.77 1.12 -1.25 0.00 0.00 0.00 175.76 173.84 2dm2 s PRO 9 N -3.87 2.97 -0.22 0.00 0.04 -1.26 -4.32 135.00 128.35 2dm2 s PRO 9 Ca 0.74 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 2dm2 s PRO 9 Cb -0.29 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.35 2dm2 s PRO 9 CO 0.44 -1.13 0.54 -0.59 0.04 0.00 0.00 177.00 176.30 2dm2 s PHE 10 N -2.16 -0.80 -0.40 0.56 -0.12 -1.22 -4.81 117.98 109.03 2dm2 s PHE 10 Ca 0.69 1.67 -0.28 0.00 -0.05 0.00 0.00 56.93 58.95 2dm2 s PHE 10 Cb -0.22 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 2dm2 s PHE 10 CO 0.37 -0.42 1.66 -0.06 -0.05 0.00 0.00 175.22 176.72 2dm2 s PHE 11 N 1.41 2.00 0.12 3.49 0.08 -1.26 -1.22 117.98 122.61 2dm2 s PHE 11 Ca -0.09 0.65 -0.14 0.00 0.12 0.00 0.00 56.93 57.47 2dm2 s PHE 11 Cb -0.07 -4.20 -0.04 0.00 -0.57 0.00 0.00 43.02 38.15 2dm2 s PHE 11 CO -0.15 -2.52 1.51 0.93 -0.10 0.00 0.00 175.22 174.89 2dm2 h GLU 12 N 12.32 0.78 -2.96 0.44 5.08 -0.80 -3.39 114.58 126.06 2dm2 h GLU 12 Ca -0.30 -0.33 -0.61 0.00 -1.00 0.00 0.00 59.36 57.12 2dm2 h GLU 12 Cb 1.14 -0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.96 2dm2 h GLU 12 CO 1.08 0.94 -0.75 1.41 -1.00 0.00 0.00 179.01 180.70 2dm2 s MET 13 N -4.68 1.23 0.84 2.33 1.75 -1.24 -4.93 119.30 114.60 2dm2 s MET 13 Ca -0.12 -1.95 -0.15 0.00 -1.25 0.00 0.00 55.69 52.22 2dm2 s MET 13 Cb 0.10 -2.26 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 2dm2 s MET 13 CO 0.83 -1.16 0.11 1.63 -0.65 0.00 0.00 175.02 175.77 2dm2 n LYS 14 N 3.60 0.01 -1.82 4.11 4.01 -1.26 -3.82 118.16 122.98 2dm2 n LYS 14 Ca 0.09 0.03 -0.41 0.00 -0.51 0.00 0.00 58.31 57.51 2dm2 n LYS 14 Cb 0.35 -1.56 -0.02 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 1.96 4.35 0.41 -0.35 1.43 -1.26 -4.90 118.68 120.32 2dm2 s LEU 15 Ca 0.56 2.91 0.01 0.00 -1.03 0.00 0.00 54.13 56.58 2dm2 s LEU 15 Cb -0.28 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 2dm2 s LEU 15 CO 0.68 -0.87 0.61 -0.75 0.23 0.00 0.00 176.35 176.25 2dm2 s LYS 16 N -0.66 3.20 -0.27 1.70 2.20 -1.26 -4.93 119.74 119.73 2dm2 s LYS 16 Ca 0.61 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.61 2dm2 s LYS 16 Cb -0.47 -2.61 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2dm2 s LYS 16 CO 0.49 -0.11 0.28 -1.01 -0.36 0.00 0.00 175.35 174.64 2dm2 s HIS 17 N -2.45 3.24 -0.12 4.03 3.76 -1.26 -4.71 115.29 117.78 2dm2 s HIS 17 Ca 0.45 0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.67 2dm2 s HIS 17 Cb -0.10 -2.47 -0.00 0.00 1.11 0.00 0.00 32.58 31.12 2dm2 s HIS 17 CO 0.37 -0.17 -0.20 0.71 -0.85 0.00 0.00 174.74 174.60 2dm2 s TYR 18 N 1.84 2.67 -0.29 1.40 2.02 -1.26 -5.10 117.35 118.62 2dm2 s TYR 18 Ca 0.11 -1.04 -0.05 0.00 -0.37 0.00 0.00 57.07 55.72 2dm2 s TYR 18 Cb -0.16 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 2dm2 s TYR 18 CO 0.10 -0.43 0.04 0.21 -1.57 0.00 0.00 175.55 173.90 2dm2 s LYS 19 N 0.53 2.91 0.38 -0.62 2.20 -1.26 -3.71 119.74 120.18 2dm2 s LYS 19 Ca -0.12 -0.96 0.05 0.00 -0.36 0.00 0.00 55.97 54.57 2dm2 s LYS 19 Cb -0.17 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2dm2 s LYS 19 CO 0.04 -0.48 0.18 0.44 -0.36 0.00 0.00 175.35 175.18 2dm2 n ILE 20 N 4.79 0.00 -3.43 5.43 -5.35 -1.11 -5.06 119.36 114.64 2dm2 n ILE 20 Ca -0.15 -2.36 -0.19 0.00 -0.27 0.00 0.00 62.75 59.78 2dm2 n ILE 20 Cb 0.47 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.30 2dm2 n ILE 20 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2dm2 s PHE 21 N -3.14 3.04 0.20 4.28 0.40 -1.26 -3.36 117.98 118.14 2dm2 s PHE 21 Ca 0.26 -0.26 -0.32 0.00 -0.60 0.00 0.00 56.93 56.01 2dm2 s PHE 21 Cb 0.01 -2.04 -0.12 0.00 0.51 0.00 0.00 43.02 41.38 2dm2 s PHE 21 CO 0.18 -0.06 1.73 -2.00 0.70 0.00 0.00 175.22 175.77 2dm2 s GLU 22 N -4.19 4.13 0.00 0.44 -6.30 -0.84 -2.49 118.70 109.45 2dm2 s GLU 22 Ca 0.46 2.60 0.00 0.00 -2.50 0.00 0.00 54.97 55.54 2dm2 s GLU 22 Cb -0.09 -3.10 0.00 0.00 0.00 0.00 0.00 34.13 30.94 2dm2 s GLU 22 CO 0.31 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 175.24 2dm2 n GLY 23 N 3.99 3.07 3.75 -1.50 0.00 0.25 -4.76 105.19 109.99 2dm2 n GLY 23 Ca 0.16 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 2.52 -1.34 1.61 2.81 -1.04 -3.86 117.12 117.83 2dm2 n MET 24 Ca 0.00 0.88 -0.31 0.00 -1.81 0.00 0.00 57.70 56.46 2dm2 n MET 24 Cb 0.00 -2.57 0.08 0.00 -0.71 0.00 0.00 33.22 30.02 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 -2.03 2.34 0.01 0.03 0.04 -1.26 -3.85 135.00 130.28 2dm2 s PRO 25 Ca 0.54 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2dm2 s PRO 25 Cb -0.50 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2dm2 s PRO 25 CO 0.63 -1.59 -0.02 0.54 0.04 0.00 0.00 177.00 176.60 2dm2 s VAL 26 N -2.81 0.12 -0.01 -0.36 0.11 -1.15 -4.99 120.40 111.31 2dm2 s VAL 26 Ca 0.62 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2dm2 s VAL 26 Cb -0.18 -0.21 -0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2dm2 s VAL 26 CO 0.54 -0.28 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.04 2dm2 s THR 27 N -0.87 0.78 -0.29 5.04 2.01 -1.26 -1.80 115.64 119.24 2dm2 s THR 27 Ca -0.09 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.51 2dm2 s THR 27 Cb -0.06 -0.65 0.08 0.00 0.01 0.00 0.00 72.50 71.88 2dm2 s THR 27 CO -0.00 0.22 0.01 -0.36 -0.69 0.00 0.00 174.62 173.80 2dm2 s PHE 28 N -0.19 2.76 -0.14 4.92 0.08 -0.03 -4.96 117.98 120.43 2dm2 s PHE 28 Ca 0.03 -2.21 -0.07 0.00 0.12 0.00 0.00 56.93 54.80 2dm2 s PHE 28 Cb -0.04 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 2dm2 s PHE 28 CO -0.00 -0.86 0.11 0.99 -0.10 0.00 0.00 175.22 175.35 2dm2 s THR 29 N 1.26 5.25 -0.25 0.64 2.01 -1.26 -1.75 115.64 121.54 2dm2 s THR 29 Ca 0.03 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 2dm2 s THR 29 Cb -0.19 -3.31 0.07 0.00 0.01 0.00 0.00 72.50 69.09 2dm2 s THR 29 CO -0.11 0.57 0.62 0.00 -0.69 0.00 0.00 174.62 175.01 2dm2 s ARG 31 N 1.39 4.32 -0.09 0.00 0.52 -1.25 -3.48 118.95 120.36 2dm2 s ARG 31 Ca -0.08 0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.52 2dm2 s ARG 31 Cb -0.06 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 2dm2 s ARG 31 CO -0.15 0.16 -0.16 0.08 0.02 0.00 0.00 175.30 175.25 2dm2 s VAL 32 N 0.63 2.85 0.54 3.52 1.01 -1.26 -0.01 120.40 127.68 2dm2 s VAL 32 Ca 0.24 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2dm2 s VAL 32 Cb -0.15 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.16 2dm2 s VAL 32 CO 0.09 0.56 0.69 0.00 0.00 0.00 0.00 175.10 176.44 2dm2 s ALA 33 N -0.10 4.62 0.00 5.51 0.00 -0.36 -4.90 121.76 126.53 2dm2 s ALA 33 Ca -0.03 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2dm2 s ALA 33 Cb -0.14 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2dm2 s ALA 33 CO 0.04 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2dm2 n GLY 34 N -2.09 2.30 3.18 0.00 0.00 -1.26 -3.40 105.19 103.91 2dm2 n GLY 34 Ca 0.12 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 2.01 1.05 1.61 2.20 -1.25 -3.82 114.94 116.74 2dm2 s ASN 35 Ca 0.00 -0.40 -0.14 0.00 -0.94 0.00 0.00 52.86 51.38 2dm2 s ASN 35 Cb 0.00 -0.18 0.21 0.00 -2.00 0.00 0.00 41.25 39.28 2dm2 s ASN 35 CO 0.00 0.14 1.10 -2.16 -2.94 0.00 0.00 177.10 173.24 2dm2 s PRO 36 N -0.82 0.01 -0.37 3.55 0.04 -1.26 -4.88 135.00 131.28 2dm2 s PRO 36 Ca 0.05 0.37 -0.39 0.00 0.04 0.00 0.00 61.00 61.07 2dm2 s PRO 36 Cb -0.07 -1.70 -0.15 0.00 0.04 0.00 0.00 34.50 32.62 2dm2 s PRO 36 CO 0.01 -2.98 2.02 1.63 0.04 0.00 0.00 177.00 177.71 2dm2 n LYS 37 N -4.32 0.82 -1.69 4.56 5.02 -1.25 -4.90 118.16 116.39 2dm2 n LYS 37 Ca 0.07 0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 56.28 2dm2 n LYS 37 Cb 0.58 -2.09 0.05 0.00 -0.02 0.00 0.00 35.03 33.55 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dm2 s PRO 38 N 5.21 2.73 -0.14 1.97 0.04 -1.26 -4.97 135.00 138.58 2dm2 s PRO 38 Ca 1.08 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 63.19 2dm2 s PRO 38 Cb -1.10 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 2dm2 s PRO 38 CO 0.60 -1.30 1.30 0.15 0.04 0.00 0.00 177.00 177.78 2dm2 s LYS 39 N -4.20 4.24 0.02 4.56 -0.14 -0.98 -4.77 119.74 118.46 2dm2 s LYS 39 Ca 0.66 1.72 -0.07 0.00 -1.36 0.00 0.00 55.97 56.92 2dm2 s LYS 39 Cb -0.20 -3.76 -0.05 0.00 -1.68 0.00 0.00 37.83 32.14 2dm2 s LYS 39 CO 0.43 -0.69 0.29 0.42 -0.76 0.00 0.00 175.35 175.05 2dm2 s ILE 40 N 3.38 5.26 -0.10 2.17 -1.09 -1.26 -2.30 121.20 127.27 2dm2 s ILE 40 Ca 0.57 0.23 -0.04 0.00 -2.23 0.00 0.00 60.65 59.18 2dm2 s ILE 40 Cb -0.23 -3.58 0.05 0.00 -1.58 0.00 0.00 42.46 37.12 2dm2 s ILE 40 CO 0.17 0.36 0.22 -0.31 -1.23 0.00 0.00 174.94 174.15 2dm2 s TYR 41 N -1.30 -0.30 -0.27 3.97 2.02 -1.04 -5.01 117.35 115.43 2dm2 s TYR 41 Ca 0.28 0.75 -0.14 0.00 -0.37 0.00 0.00 57.07 57.58 2dm2 s TYR 41 Cb -0.13 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 2dm2 s TYR 41 CO 0.16 -0.25 0.34 -1.58 -1.57 0.00 0.00 175.55 172.65 2dm2 s TRP 42 N 1.64 3.25 -0.20 2.71 0.52 -1.26 -2.31 118.94 123.28 2dm2 s TRP 42 Ca -0.05 0.37 -0.06 0.00 0.02 0.00 0.00 56.10 56.38 2dm2 s TRP 42 Cb -0.11 -2.54 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 2dm2 s TRP 42 CO -0.08 -0.21 0.03 -0.06 0.02 0.00 0.00 176.95 176.65 2dm2 s PHE 43 N 2.00 3.11 -0.27 -1.98 0.08 0.89 -3.26 117.98 118.54 2dm2 s PHE 43 Ca 0.14 -0.26 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2dm2 s PHE 43 Cb -0.16 -2.10 0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2dm2 s PHE 43 CO 0.10 -0.12 -0.03 0.21 -0.10 0.00 0.00 175.22 175.29 2dm2 s LYS 44 N 0.85 2.66 -1.46 0.44 2.36 -0.44 -1.36 119.74 122.79 2dm2 s LYS 44 Ca 0.02 -1.10 -0.04 0.00 -2.55 0.00 0.00 55.97 52.29 2dm2 s LYS 44 Cb -0.14 -3.10 0.03 0.00 -1.05 0.00 0.00 37.83 33.58 2dm2 s LYS 44 CO 0.02 -0.50 0.55 -3.47 1.55 0.00 0.00 175.35 173.50 2dm2 n ASP 45 N 4.66 -1.25 -2.40 1.43 2.03 -1.25 -0.66 116.55 119.10 2dm2 n ASP 45 Ca -0.15 -0.97 -0.17 0.00 0.52 0.00 0.00 54.79 54.02 2dm2 n ASP 45 Cb 0.45 -3.17 0.03 0.00 -0.72 0.00 0.00 41.12 37.71 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 -1.82 -0.22 3.15 0.27 0.00 -1.26 -5.02 105.19 100.29 2dm2 n GLY 46 Ca -0.22 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2dm2 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm2 s LYS 47 N -5.50 0.77 0.03 1.61 -0.14 0.17 -5.14 119.74 111.54 2dm2 s LYS 47 Ca 0.26 -1.05 -0.21 0.00 -1.36 0.00 0.00 55.97 53.61 2dm2 s LYS 47 Cb -0.12 -0.49 -0.06 0.00 -1.68 0.00 0.00 37.83 35.48 2dm2 s LYS 47 CO 0.32 0.08 0.63 -1.14 -0.76 0.00 0.00 175.35 174.48 2dm2 s GLN 48 N -2.42 4.34 0.03 1.68 0.74 -1.26 -1.33 119.66 121.43 2dm2 s GLN 48 Ca 0.01 0.82 0.05 0.00 0.05 0.00 0.00 55.36 56.29 2dm2 s GLN 48 Cb -0.05 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2dm2 s GLN 48 CO 0.00 0.43 -0.13 0.42 -0.55 0.00 0.00 175.29 175.47 2dm2 s ILE 49 N -0.45 3.20 0.01 -2.34 1.01 -1.20 -4.93 121.20 116.50 2dm2 s ILE 49 Ca 0.32 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 2dm2 s ILE 49 Cb -0.19 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2dm2 s ILE 49 CO 0.19 0.35 0.31 -0.55 0.00 0.00 0.00 174.94 175.24 2dm2 s SER 50 N -1.48 6.57 0.23 3.58 0.15 -1.26 -4.80 113.70 116.70 2dm2 s SER 50 Ca 0.16 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dm2 s SER 50 Cb -0.11 -2.14 0.25 0.00 -1.71 0.00 0.00 66.02 62.31 2dm2 s SER 50 CO 0.07 0.27 1.60 1.55 1.20 0.00 0.00 173.24 177.92 2dm2 h PRO 51 N 4.17 0.48 0.00 5.44 0.13 -1.92 -2.93 132.00 137.37 2dm2 h PRO 51 Ca -0.51 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 64.37 2dm2 h PRO 51 Cb 1.20 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dm2 h PRO 51 CO 0.64 0.83 -0.00 0.87 -0.23 0.00 0.00 178.00 180.11 2dm2 h LYS 52 N 0.39 0.00 -4.86 0.86 1.79 -1.92 -3.33 116.57 109.51 2dm2 h LYS 52 Ca 0.03 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.97 2dm2 h LYS 52 Cb 0.93 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.68 2dm2 h LYS 52 CO 0.08 0.00 -0.53 0.45 -1.08 0.00 0.00 179.45 178.37 2dm2 n SER 53 N -3.10 -1.42 -0.02 0.86 2.88 -1.11 -4.89 113.62 106.83 2dm2 n SER 53 Ca 0.04 0.84 -0.16 0.00 -1.33 0.00 0.00 58.87 58.25 2dm2 n SER 53 Cb 0.51 -0.75 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 2dm2 n SER 53 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2dm2 h ASP 54 N 0.64 0.22 0.15 -3.46 2.03 -1.91 -3.35 116.42 110.74 2dm2 h ASP 54 Ca -0.25 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.19 2dm2 h ASP 54 Cb 1.17 -0.07 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 2dm2 h ASP 54 CO 0.44 1.06 -0.15 -0.74 -1.03 0.00 0.00 179.24 178.81 2dm2 h HIS 55 N -0.59 -0.40 -3.24 4.15 2.76 -1.94 -3.41 115.15 112.48 2dm2 h HIS 55 Ca -0.05 0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.51 2dm2 h HIS 55 Cb 1.13 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 30.10 2dm2 h HIS 55 CO 0.21 -0.23 -0.54 0.71 -1.30 0.00 0.00 177.93 176.77 2dm2 s TYR 56 N -6.13 3.30 -0.22 5.26 2.02 -1.26 -3.86 117.35 116.47 2dm2 s TYR 56 Ca -0.15 0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2dm2 s TYR 56 Cb 0.07 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2dm2 s TYR 56 CO 0.65 0.24 -0.11 0.99 -1.57 0.00 0.00 175.55 175.76 2dm2 s THR 57 N 0.21 2.70 -0.35 -0.71 2.01 -0.10 -4.13 115.64 115.26 2dm2 s THR 57 Ca 0.05 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.19 2dm2 s THR 57 Cb -0.12 -2.26 0.10 0.00 0.01 0.00 0.00 72.50 70.22 2dm2 s THR 57 CO -0.00 0.37 0.08 -0.63 -0.69 0.00 0.00 174.62 173.75 2dm2 s ILE 58 N 1.35 2.61 -0.14 1.82 1.01 -1.25 -1.32 121.20 125.28 2dm2 s ILE 58 Ca 0.03 -2.13 -0.00 0.00 0.00 0.00 0.00 60.65 58.55 2dm2 s ILE 58 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2dm2 s ILE 58 CO -0.07 -0.54 -0.13 -1.10 0.00 0.00 0.00 174.94 173.10 2dm2 s GLN 59 N 1.01 3.33 -0.24 2.79 -0.21 -1.16 -4.93 119.66 120.25 2dm2 s GLN 59 Ca 0.07 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 54.63 2dm2 s GLN 59 Cb -0.20 -2.65 -0.05 0.00 1.00 0.00 0.00 33.01 31.11 2dm2 s GLN 59 CO -0.06 0.13 0.21 1.03 -2.12 0.00 0.00 175.29 174.48 2dm2 s ARG 60 N 0.55 4.06 0.99 2.91 0.52 -1.26 -3.36 118.95 123.36 2dm2 s ARG 60 Ca -0.08 -0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 54.81 2dm2 s ARG 60 Cb -0.16 -3.57 0.19 0.00 0.52 0.00 0.00 34.95 31.93 2dm2 s ARG 60 CO 0.04 -0.02 1.08 -0.51 0.02 0.00 0.00 175.30 175.91 2dm2 s ASP 61 N 1.22 2.59 0.12 0.23 1.01 -0.64 -4.85 116.67 116.35 2dm2 s ASP 61 Ca 0.09 1.37 -0.26 0.00 0.71 0.00 0.00 52.55 54.47 2dm2 s ASP 61 Cb -0.14 -2.06 -0.06 0.00 1.01 0.00 0.00 42.92 41.67 2dm2 s ASP 61 CO 0.06 -3.18 1.64 -0.07 0.21 0.00 0.00 175.17 173.83 2dm2 h LEU 62 N -1.92 -0.75 -0.97 1.23 3.38 -1.98 -1.77 115.31 112.54 2dm2 h LEU 62 Ca -0.54 0.10 0.23 0.00 0.09 0.00 0.00 57.88 57.76 2dm2 h LEU 62 Cb 1.31 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 42.24 2dm2 h LEU 62 CO 0.55 -0.33 0.53 -2.24 0.09 0.00 0.00 178.44 177.04 2dm2 h ASP 63 N -0.41 0.58 0.00 -0.43 2.03 -2.04 -3.45 116.42 112.71 2dm2 h ASP 63 Ca 0.05 0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 2dm2 h ASP 63 Cb 0.48 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2dm2 h ASP 63 CO -0.20 0.10 0.00 0.61 -1.03 0.00 0.00 179.24 178.71 2dm2 n GLY 64 N -1.32 0.93 3.56 7.15 0.00 -0.66 -5.09 105.19 109.76 2dm2 n GLY 64 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.75 4.76 -0.20 2.61 2.01 -1.25 -4.36 115.64 117.46 2dm2 s THR 65 Ca 0.00 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 2dm2 s THR 65 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2dm2 s THR 65 CO 0.00 0.37 0.35 0.00 -0.69 0.00 0.00 174.62 174.65 2dm2 s SER 67 N 0.93 1.37 0.07 0.00 0.15 -1.21 -3.42 113.70 111.60 2dm2 s SER 67 Ca 0.17 -0.55 0.08 0.00 0.70 0.00 0.00 55.95 56.35 2dm2 s SER 67 Cb -0.14 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2dm2 s SER 67 CO 0.07 -0.10 -0.20 -0.22 1.20 0.00 0.00 173.24 173.99 2dm2 s LEU 68 N -1.55 2.55 -0.01 3.45 2.96 -0.72 -2.99 118.68 122.38 2dm2 s LEU 68 Ca -0.04 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2dm2 s LEU 68 Cb -0.09 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 2dm2 s LEU 68 CO 0.01 0.23 0.04 -2.28 -1.32 0.00 0.00 176.35 173.03 2dm2 s HIS 69 N -0.99 0.03 -0.29 5.38 5.65 -0.43 -0.85 115.29 123.79 2dm2 s HIS 69 Ca 0.15 -0.05 -0.02 0.00 0.25 0.00 0.00 55.06 55.39 2dm2 s HIS 69 Cb -0.10 -0.04 0.10 0.00 -1.18 0.00 0.00 32.58 31.35 2dm2 s HIS 69 CO 0.06 -0.09 0.10 0.99 -0.65 0.00 0.00 174.74 175.15 2dm2 s THR 70 N -0.47 0.53 0.52 0.89 2.01 -0.75 -0.93 115.64 117.44 2dm2 s THR 70 Ca -0.05 -1.11 0.28 0.00 0.31 0.00 0.00 61.69 61.12 2dm2 s THR 70 Cb -0.03 -1.38 0.45 0.00 0.01 0.00 0.00 72.50 71.55 2dm2 s THR 70 CO -0.00 -0.65 1.91 0.00 -0.69 0.00 0.00 174.62 175.19 2dm2 h THR 71 N 6.47 0.62 -3.22 -0.82 1.03 -1.88 -3.05 112.91 112.05 2dm2 h THR 71 Ca -0.16 -0.02 -0.49 0.00 -0.01 0.00 0.00 66.41 65.72 2dm2 h THR 71 Cb 1.02 0.54 -0.37 0.00 -1.07 0.00 0.00 68.15 68.27 2dm2 h THR 71 CO 0.45 0.01 -0.79 0.00 -0.01 0.00 0.00 175.52 175.18 2dm2 s ALA 72 N -5.06 1.10 -0.22 0.00 0.00 -1.26 -4.21 121.76 112.11 2dm2 s ALA 72 Ca -0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2dm2 s ALA 72 Cb 0.21 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 2dm2 s ALA 72 CO 0.76 -0.41 -0.04 -1.54 0.00 0.00 0.00 175.76 174.53 2dm2 s SER 73 N 1.76 4.32 0.40 0.00 1.04 -1.25 -4.97 113.70 115.01 2dm2 s SER 73 Ca 0.04 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.15 2dm2 s SER 73 Cb -0.13 -1.74 -0.05 0.00 0.10 0.00 0.00 66.02 64.21 2dm2 s SER 73 CO -0.07 -0.02 0.21 0.42 0.98 0.00 0.00 173.24 174.75 2dm2 s THR 74 N 1.48 2.45 0.18 2.02 -4.23 -1.26 -0.58 115.64 115.70 2dm2 s THR 74 Ca 0.06 -1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 58.79 2dm2 s THR 74 Cb -0.14 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.78 2dm2 s THR 74 CO -0.03 -0.03 1.81 -0.07 -0.54 0.00 0.00 174.62 175.76 2dm2 h LEU 75 N 1.38 0.49 -0.37 4.79 4.07 -1.94 -2.60 115.31 121.13 2dm2 h LEU 75 Ca -0.43 0.01 0.07 0.00 0.08 0.00 0.00 57.88 57.62 2dm2 h LEU 75 Cb 1.25 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 42.84 2dm2 h LEU 75 CO 0.67 0.34 -0.04 0.44 -1.08 0.00 0.00 178.44 178.77 2dm2 h ASP 76 N 0.61 -0.25 -0.87 -0.43 3.32 -1.97 -1.36 116.42 115.48 2dm2 h ASP 76 Ca 0.22 0.10 0.19 0.00 0.02 0.00 0.00 57.03 57.56 2dm2 h ASP 76 Cb 0.05 0.19 -0.11 0.00 0.22 0.00 0.00 39.33 39.68 2dm2 h ASP 76 CO -0.11 -0.08 0.39 0.44 -1.72 0.00 0.00 179.24 178.15 2dm2 h ASP 77 N 0.05 0.36 -1.97 6.45 3.32 -1.87 -3.42 116.42 119.33 2dm2 h ASP 77 Ca 0.18 0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.82 2dm2 h ASP 77 Cb 0.27 0.10 0.23 0.00 0.22 0.00 0.00 39.33 40.15 2dm2 h ASP 77 CO -0.34 0.06 -1.74 -0.90 -1.72 0.00 0.00 179.24 174.59 2dm2 n ASP 78 N -5.01 -5.64 0.00 6.45 5.75 -0.51 -4.79 116.55 112.80 2dm2 n ASP 78 Ca 0.20 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 2dm2 n ASP 78 Cb 0.58 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 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 3.31 0.36 2.70 6.12 0.00 -1.25 -4.96 105.19 111.48 2dm2 n GLY 79 Ca -0.01 -1.01 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 2.35 -0.08 1.61 2.20 -1.26 -2.48 114.94 113.28 2dm2 s ASN 80 Ca 0.00 -0.55 -0.22 0.00 -0.94 0.00 0.00 52.86 51.15 2dm2 s ASN 80 Cb 0.00 -0.42 -0.04 0.00 -2.00 0.00 0.00 41.25 38.79 2dm2 s ASN 80 CO 0.00 -0.30 0.66 -0.31 -2.94 0.00 0.00 177.10 174.21 2dm2 s TYR 81 N 1.99 3.57 -0.14 1.54 1.51 -0.86 -3.95 117.35 121.01 2dm2 s TYR 81 Ca 0.02 1.18 0.01 0.00 -1.01 0.00 0.00 57.07 57.26 2dm2 s TYR 81 Cb -0.15 -2.76 -0.01 0.00 -0.11 0.00 0.00 41.96 38.93 2dm2 s TYR 81 CO -0.07 0.10 -0.15 0.99 -1.11 0.00 0.00 175.55 175.31 2dm2 s THR 82 N 0.76 2.78 -0.23 -0.71 2.01 -0.46 -0.39 115.64 119.40 2dm2 s THR 82 Ca 0.35 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2dm2 s THR 82 Cb -0.17 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.19 2dm2 s THR 82 CO 0.17 0.52 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.03 2dm2 s ILE 83 N 0.54 2.92 0.01 1.82 2.07 -1.21 -0.08 121.20 127.27 2dm2 s ILE 83 Ca -0.10 -0.80 -0.02 0.00 -1.41 0.00 0.00 60.65 58.32 2dm2 s ILE 83 Cb -0.16 -2.38 -0.04 0.00 0.13 0.00 0.00 42.46 40.01 2dm2 s ILE 83 CO 0.04 0.35 0.18 -0.32 -1.91 0.00 0.00 174.94 173.28 2dm2 s MET 84 N 1.38 3.40 -0.06 3.50 -2.45 -0.98 -1.59 119.30 122.49 2dm2 s MET 84 Ca 0.03 -0.37 0.02 0.00 -1.25 0.00 0.00 55.69 54.12 2dm2 s MET 84 Cb -0.15 -3.06 0.01 0.00 1.25 0.00 0.00 34.83 32.89 2dm2 s MET 84 CO -0.06 0.65 -0.12 0.00 1.05 0.00 0.00 175.02 176.55 2dm2 s ALA 85 N -1.36 1.25 -0.17 4.11 0.00 0.07 -2.48 121.76 123.18 2dm2 s ALA 85 Ca 0.29 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 2dm2 s ALA 85 Cb -0.13 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2dm2 s ALA 85 CO 0.21 0.11 0.02 0.00 0.00 0.00 0.00 175.76 176.10 2dm2 s ALA 86 N 0.67 3.20 -0.06 0.00 0.00 -0.97 -2.57 121.76 122.02 2dm2 s ALA 86 Ca -0.15 -0.81 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 2dm2 s ALA 86 Cb -0.16 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 21.22 2dm2 s ALA 86 CO 0.04 0.14 0.23 1.21 0.00 0.00 0.00 175.76 177.38 2dm2 s ASN 87 N 0.46 -0.19 0.00 0.00 2.47 -1.20 -2.32 114.94 114.16 2dm2 s ASN 87 Ca -0.00 0.31 0.08 0.00 0.42 0.00 0.00 52.86 53.67 2dm2 s ASN 87 Cb -0.13 0.42 0.47 0.00 -1.45 0.00 0.00 41.25 40.55 2dm2 s ASN 87 CO 0.02 -0.18 0.92 -0.81 -3.72 0.00 0.00 177.10 173.33 2dm2 n PRO 88 N 2.49 0.49 0.00 0.43 -0.04 -1.26 -1.84 135.00 135.27 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 -1.25 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 -0.75 1.83 0.00 0.54 1.13 -1.26 -5.07 117.38 113.79 2dm2 n GLN 89 Ca 0.06 -0.19 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 2dm2 n GLN 89 Cb 0.03 -0.62 0.00 0.00 0.11 0.00 0.00 30.24 29.75 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 0.32 4.04 3.56 1.08 0.00 -0.77 -4.04 105.19 109.38 2dm2 n GLY 90 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.57 2.23 0.16 1.61 3.52 -1.26 -3.21 118.95 119.43 2dm2 s ARG 91 Ca 0.00 -0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 54.65 2dm2 s ARG 91 Cb 0.00 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 2dm2 s ARG 91 CO 0.00 0.54 0.11 0.96 -0.81 0.00 0.00 175.30 176.10 2dm2 s ILE 92 N -1.09 0.07 0.05 4.11 -4.36 -1.06 -4.98 121.20 113.93 2dm2 s ILE 92 Ca 0.19 -1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 2dm2 s ILE 92 Cb -0.11 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.45 2dm2 s ILE 92 CO 0.10 -0.30 0.25 -0.94 0.24 0.00 0.00 174.94 174.29 2dm2 s SER 93 N -3.07 -0.03 0.36 4.36 1.04 -1.26 -0.75 113.70 114.34 2dm2 s SER 93 Ca 0.28 -0.32 0.05 0.00 0.48 0.00 0.00 55.95 56.43 2dm2 s SER 93 Cb 0.07 0.33 -0.07 0.00 0.10 0.00 0.00 66.02 66.45 2dm2 s SER 93 CO 0.05 -0.61 0.04 0.00 0.98 0.00 0.00 173.24 173.69 2dm2 s THR 95 N -3.07 0.23 0.28 0.00 2.01 -1.26 -3.30 115.64 110.53 2dm2 s THR 95 Ca 0.36 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.51 2dm2 s THR 95 Cb 0.09 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2dm2 s THR 95 CO 0.16 0.10 0.02 -0.83 -0.69 0.00 0.00 174.62 173.38 2dm2 s GLY 96 N 2.02 1.70 -0.01 4.40 0.00 0.48 -4.79 107.32 111.12 2dm2 s GLY 96 Ca 0.04 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.09 2dm2 s GLY 96 CO -0.06 -1.73 -0.03 -1.60 0.00 0.00 0.00 173.10 169.69 2dm2 s ARG 97 N -3.70 0.37 0.06 2.90 6.06 -1.26 -2.03 118.95 121.35 2dm2 s ARG 97 Ca 0.32 -0.09 0.09 0.00 -2.50 0.00 0.00 55.73 53.55 2dm2 s ARG 97 Cb -0.06 -0.41 -0.03 0.00 0.06 0.00 0.00 34.95 34.51 2dm2 s ARG 97 CO 0.20 0.02 -0.24 -0.51 -2.50 0.00 0.00 175.30 172.27 2dm2 s LEU 98 N 0.28 2.19 -0.12 -0.88 1.43 -1.04 -4.28 118.68 116.26 2dm2 s LEU 98 Ca -0.03 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2dm2 s LEU 98 Cb -0.06 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.03 2dm2 s LEU 98 CO -0.00 0.21 -0.08 -0.04 0.23 0.00 0.00 176.35 176.66 2dm2 s MET 99 N -1.32 1.60 -0.08 1.70 -1.94 -1.24 -3.82 119.30 114.19 2dm2 s MET 99 Ca 0.10 -0.28 0.02 0.00 -1.71 0.00 0.00 55.69 53.82 2dm2 s MET 99 Cb -0.10 -1.63 0.01 0.00 2.01 0.00 0.00 34.83 35.13 2dm2 s MET 99 CO 0.02 -0.26 -0.14 0.08 -0.01 0.00 0.00 175.02 174.71 2dm2 s VAL 100 N 1.67 1.32 -0.13 -6.03 1.01 -1.26 -2.74 120.40 114.24 2dm2 s VAL 100 Ca 0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2dm2 s VAL 100 Cb -0.13 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2dm2 s VAL 100 CO -0.08 0.40 0.17 -1.10 0.00 0.00 0.00 175.10 174.48 2dm2 s GLN 101 N 0.66 3.68 -0.32 2.72 -1.52 -1.21 -4.86 119.66 118.82 2dm2 s GLN 101 Ca -0.14 -0.09 -0.29 0.00 -1.95 0.00 0.00 55.36 52.89 2dm2 s GLN 101 Cb -0.16 -3.25 -0.01 0.00 -0.22 0.00 0.00 33.01 29.36 2dm2 s GLN 101 CO 0.04 0.64 1.61 0.00 -0.25 0.00 0.00 175.29 177.33 2dm2 s ALA 102 N -0.65 3.06 0.00 6.09 0.00 -1.26 -1.99 121.76 127.00 2dm2 s ALA 102 Ca 0.14 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2dm2 s ALA 102 Cb -0.12 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.06 2dm2 s ALA 102 CO 0.03 -2.32 0.00 1.55 0.00 0.00 0.00 175.76 175.02 2dm2 n VAL 103 N 6.98 0.00 -2.98 0.00 3.14 -1.26 -4.91 118.33 119.30 2dm2 n VAL 103 Ca 0.19 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 61.13 2dm2 n VAL 103 Cb 0.47 -0.56 -0.02 0.00 -1.06 0.00 0.00 33.84 32.67 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 -3.67 6.80 0.07 6.55 3.04 -1.26 -5.01 114.94 121.46 2dm2 s ASN 104 Ca 0.00 -2.44 -0.30 0.00 0.04 0.00 0.00 52.86 50.16 2dm2 s ASN 104 Cb 0.00 -2.38 -0.05 0.00 -1.54 0.00 0.00 41.25 37.28 2dm2 s ASN 104 CO 0.00 -0.90 1.14 -0.55 -3.04 0.00 0.00 177.10 173.75 2dm2 s SER 105 N 3.18 7.17 -0.07 -4.21 0.15 -1.26 -5.02 113.70 113.64 2dm2 s SER 105 Ca 0.34 1.96 -0.29 0.00 0.70 0.00 0.00 55.95 58.66 2dm2 s SER 105 Cb -0.05 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.79 2dm2 s SER 105 CO -0.07 -0.38 0.90 -0.83 1.20 0.00 0.00 173.24 174.06 2dm2 s GLY 106 N 0.83 -0.41 0.86 9.45 0.00 -1.26 -5.17 107.32 111.62 2dm2 s GLY 106 Ca 0.56 1.43 -0.11 0.00 0.00 0.00 0.00 44.72 46.60 2dm2 s GLY 106 CO 0.30 0.68 1.09 2.56 0.00 0.00 0.00 173.10 177.73 2dm2 s PRO 107 N -2.11 1.58 0.15 2.90 0.04 -1.26 -4.95 135.00 131.34 2dm2 s PRO 107 Ca 0.00 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.79 2dm2 s PRO 107 Cb -0.01 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.75 2dm2 s PRO 107 CO -0.03 -2.05 1.68 1.03 0.04 0.00 0.00 177.00 177.68 2dm2 h SER 108 N -1.41 -0.28 -1.92 6.66 0.87 -2.04 -3.41 113.55 112.02 2dm2 h SER 108 Ca -0.48 0.09 -0.65 0.00 -1.23 0.00 0.00 61.79 59.53 2dm2 h SER 108 Cb 1.27 0.19 0.07 0.00 -0.44 0.00 0.00 62.40 63.49 2dm2 h SER 108 CO 0.54 -0.10 0.39 -1.20 -0.53 0.00 0.00 176.83 175.93 2dm2 n SER 109 N -5.25 1.64 0.00 6.23 7.64 -1.26 -5.33 113.62 117.29 2dm2 n SER 109 Ca 0.01 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2dm2 n SER 109 Cb 0.18 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64