#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 6.08 0.55 1.61 0.01 -1.26 -5.06 113.70 115.63 2dm2 s SER 2 Ca 0.00 0.07 -0.21 0.00 1.31 0.00 0.00 55.95 57.12 2dm2 s SER 2 Cb 0.00 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 2dm2 s SER 2 CO 0.00 -0.03 1.27 -0.24 0.41 0.00 0.00 173.24 174.65 2dm2 n SER 3 N 4.84 2.25 -4.15 2.44 2.88 -1.26 -4.97 113.62 115.65 2dm2 n SER 3 Ca -0.14 0.95 -0.38 0.00 -1.33 0.00 0.00 58.87 57.97 2dm2 n SER 3 Cb 0.52 -1.53 -0.09 0.00 -0.75 0.00 0.00 64.21 62.36 2dm2 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm2 s GLY 4 N -0.96 2.23 -0.18 0.46 0.00 -1.26 -5.04 107.32 102.58 2dm2 s GLY 4 Ca 0.72 -2.84 -0.15 0.00 0.00 0.00 0.00 44.72 42.44 2dm2 s GLY 4 CO 0.49 1.10 0.46 -0.56 0.00 0.00 0.00 173.10 174.59 2dm2 s SER 5 N 1.72 -0.50 -0.83 1.64 0.01 -1.26 -5.11 113.70 109.38 2dm2 s SER 5 Ca 0.11 0.94 -0.16 0.00 1.31 0.00 0.00 55.95 58.15 2dm2 s SER 5 Cb -0.22 0.93 0.17 0.00 0.21 0.00 0.00 66.02 67.11 2dm2 s SER 5 CO -0.03 -0.17 0.88 -0.44 0.41 0.00 0.00 173.24 173.89 2dm2 s SER 6 N 0.43 6.62 -0.00 2.44 0.01 -1.26 -4.86 113.70 117.08 2dm2 s SER 6 Ca -0.02 -2.26 -0.19 0.00 1.31 0.00 0.00 55.95 54.79 2dm2 s SER 6 Cb -0.04 -2.29 -0.32 0.00 0.21 0.00 0.00 66.02 63.57 2dm2 s SER 6 CO -0.02 -0.83 0.97 1.23 0.41 0.00 0.00 173.24 175.00 2dm2 h GLY 7 N 9.07 0.50 -1.85 3.44 0.00 -1.96 -3.45 103.07 108.81 2dm2 h GLY 7 Ca 0.06 -1.21 -0.51 0.00 0.00 0.00 0.00 47.33 45.68 2dm2 h GLY 7 CO 0.94 1.06 0.40 0.00 0.00 0.00 0.00 176.54 178.93 2dm2 s ALA 8 N -2.60 2.54 0.66 3.60 0.00 -1.26 -4.03 121.76 120.67 2dm2 s ALA 8 Ca -0.11 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 2dm2 s ALA 8 Cb 0.03 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 2dm2 s ALA 8 CO 0.89 -1.10 1.11 -1.25 0.00 0.00 0.00 175.76 175.40 2dm2 s PRO 9 N -3.77 2.81 -0.24 0.00 0.04 -1.26 -4.46 135.00 128.11 2dm2 s PRO 9 Ca 0.70 1.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 2dm2 s PRO 9 Cb -0.22 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.44 2dm2 s PRO 9 CO 0.36 -1.25 0.59 -0.59 0.04 0.00 0.00 177.00 176.15 2dm2 s PHE 10 N -2.34 -0.87 -0.52 0.56 -0.71 -1.22 -4.78 117.98 108.11 2dm2 s PHE 10 Ca 0.67 1.80 -0.27 0.00 -1.04 0.00 0.00 56.93 58.09 2dm2 s PHE 10 Cb -0.21 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.06 2dm2 s PHE 10 CO 0.41 -0.44 1.77 -0.06 -1.34 0.00 0.00 175.22 175.57 2dm2 s PHE 11 N 1.40 1.80 0.23 3.49 0.08 -1.26 -1.11 117.98 122.62 2dm2 s PHE 11 Ca -0.09 0.71 0.00 0.00 0.12 0.00 0.00 56.93 57.67 2dm2 s PHE 11 Cb -0.06 -4.14 0.25 0.00 -0.57 0.00 0.00 43.02 38.50 2dm2 s PHE 11 CO -0.15 -2.44 1.60 0.93 -0.10 0.00 0.00 175.22 175.06 2dm2 h GLU 12 N 13.75 0.47 -2.78 0.44 4.39 0.18 -3.37 114.58 127.66 2dm2 h GLU 12 Ca -0.28 -0.25 -0.60 0.00 0.34 0.00 0.00 59.36 58.56 2dm2 h GLU 12 Cb 1.15 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.42 2dm2 h GLU 12 CO 1.15 0.82 -0.78 1.41 -1.16 0.00 0.00 179.01 180.46 2dm2 s MET 13 N -4.15 1.43 1.08 2.33 1.75 -1.16 -4.90 119.30 115.68 2dm2 s MET 13 Ca -0.07 -2.36 -0.21 0.00 -1.25 0.00 0.00 55.69 51.81 2dm2 s MET 13 Cb 0.12 -2.25 0.04 0.00 2.84 0.00 0.00 34.83 35.58 2dm2 s MET 13 CO 0.81 -1.27 -0.36 1.63 -0.65 0.00 0.00 175.02 175.18 2dm2 n LYS 14 N 2.91 -1.29 -2.49 4.11 4.76 -1.26 -3.22 118.16 121.68 2dm2 n LYS 14 Ca 0.19 -0.37 -0.40 0.00 -2.87 0.00 0.00 58.31 54.86 2dm2 n LYS 14 Cb 0.39 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 32.03 2dm2 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dm2 s LEU 15 N 1.07 4.56 0.56 -0.35 1.43 -1.26 -4.77 118.68 119.91 2dm2 s LEU 15 Ca 0.50 2.25 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 2dm2 s LEU 15 Cb -0.06 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.57 2dm2 s LEU 15 CO 0.63 -0.13 0.79 -0.54 0.23 0.00 0.00 176.35 177.34 2dm2 s LYS 16 N -1.41 2.54 -0.35 1.70 3.01 -1.26 -5.00 119.74 118.97 2dm2 s LYS 16 Ca 0.44 -0.71 -0.10 0.00 -1.01 0.00 0.00 55.97 54.59 2dm2 s LYS 16 Cb -0.32 -2.46 0.01 0.00 -1.01 0.00 0.00 37.83 34.06 2dm2 s LYS 16 CO 0.40 -0.74 0.19 -1.01 0.51 0.00 0.00 175.35 174.70 2dm2 s HIS 17 N -2.80 3.21 -0.04 3.18 3.76 -1.26 -4.75 115.29 116.59 2dm2 s HIS 17 Ca 0.57 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.79 2dm2 s HIS 17 Cb -0.10 -2.41 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 2dm2 s HIS 17 CO 0.39 -0.55 -0.24 0.71 -0.85 0.00 0.00 174.74 174.20 2dm2 s TYR 18 N 1.59 2.42 -0.30 1.40 2.02 -1.26 -5.11 117.35 118.11 2dm2 s TYR 18 Ca 0.03 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2dm2 s TYR 18 Cb -0.18 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 39.89 2dm2 s TYR 18 CO 0.07 -0.08 -0.02 0.21 -1.57 0.00 0.00 175.55 174.15 2dm2 s LYS 19 N -0.44 2.22 0.35 -0.62 2.20 -1.26 -3.63 119.74 118.55 2dm2 s LYS 19 Ca 0.05 -1.40 0.07 0.00 -0.36 0.00 0.00 55.97 54.32 2dm2 s LYS 19 Cb -0.12 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.04 2dm2 s LYS 19 CO 0.01 -0.67 -0.02 0.96 -0.36 0.00 0.00 175.35 175.27 2dm2 s ILE 20 N 1.15 1.82 0.54 5.43 -4.36 -0.93 -5.02 121.20 119.83 2dm2 s ILE 20 Ca -0.04 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 2dm2 s ILE 20 Cb -0.20 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 40.81 2dm2 s ILE 20 CO -0.04 -0.12 0.76 -0.36 0.24 0.00 0.00 174.94 175.42 2dm2 s PHE 21 N -2.87 2.67 0.21 1.37 0.40 -1.26 -3.01 117.98 115.49 2dm2 s PHE 21 Ca 0.33 -0.14 -0.32 0.00 -0.60 0.00 0.00 56.93 56.21 2dm2 s PHE 21 Cb 0.06 -2.69 -0.12 0.00 0.51 0.00 0.00 43.02 40.78 2dm2 s PHE 21 CO 0.16 -0.89 1.71 -1.91 0.70 0.00 0.00 175.22 174.99 2dm2 n GLU 22 N -2.30 2.75 0.00 0.44 0.00 -0.55 -1.81 120.64 119.18 2dm2 n GLU 22 Ca 0.09 0.99 0.00 0.00 0.00 0.00 0.00 57.16 58.24 2dm2 n GLU 22 Cb 0.60 -2.83 0.00 0.00 0.00 0.00 0.00 31.44 29.21 2dm2 n GLU 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dm2 n GLY 23 N 3.80 2.71 3.77 8.31 0.00 0.63 -4.64 105.19 119.76 2dm2 n GLY 23 Ca 0.15 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 4.25 0.88 1.61 -1.94 -0.75 -3.98 119.30 119.36 2dm2 s MET 24 Ca 0.00 2.37 -0.11 0.00 -1.71 0.00 0.00 55.69 56.23 2dm2 s MET 24 Cb 0.00 -3.05 0.12 0.00 2.01 0.00 0.00 34.83 33.91 2dm2 s MET 24 CO 0.00 -0.37 1.09 -1.25 -0.01 0.00 0.00 175.02 174.48 2dm2 s PRO 25 N -1.48 1.43 -0.02 2.03 0.04 -1.26 -4.18 135.00 131.56 2dm2 s PRO 25 Ca 0.53 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 2dm2 s PRO 25 Cb -0.43 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2dm2 s PRO 25 CO 0.54 -2.14 0.19 0.54 0.04 0.00 0.00 177.00 176.16 2dm2 s VAL 26 N -2.93 0.06 -0.04 -0.36 0.11 -1.11 -4.96 120.40 111.17 2dm2 s VAL 26 Ca 0.63 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 2dm2 s VAL 26 Cb -0.18 -0.44 -0.00 0.00 -1.53 0.00 0.00 36.38 34.23 2dm2 s VAL 26 CO 0.57 -0.27 -0.16 -0.89 -3.33 0.00 0.00 175.10 171.01 2dm2 s THR 27 N -1.05 1.32 -0.28 5.04 2.01 -1.26 -2.24 115.64 119.18 2dm2 s THR 27 Ca -0.11 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2dm2 s THR 27 Cb -0.06 -1.13 0.08 0.00 0.01 0.00 0.00 72.50 71.40 2dm2 s THR 27 CO 0.02 0.38 0.03 -0.36 -0.69 0.00 0.00 174.62 174.00 2dm2 s PHE 28 N -0.01 2.26 -0.19 4.92 0.08 -0.70 -5.00 117.98 119.33 2dm2 s PHE 28 Ca -0.02 -1.89 -0.10 0.00 0.12 0.00 0.00 56.93 55.05 2dm2 s PHE 28 Cb -0.10 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 2dm2 s PHE 28 CO 0.01 -0.83 0.12 0.99 -0.10 0.00 0.00 175.22 175.42 2dm2 s THR 29 N 1.43 5.33 -0.11 0.64 2.01 -1.26 -1.96 115.64 121.72 2dm2 s THR 29 Ca 0.04 0.16 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 2dm2 s THR 29 Cb -0.18 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2dm2 s THR 29 CO -0.14 0.45 0.28 0.00 -0.69 0.00 0.00 174.62 174.52 2dm2 s ARG 31 N 0.59 3.60 -0.13 0.00 3.52 -1.20 -0.74 118.95 124.59 2dm2 s ARG 31 Ca -0.04 -0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 2dm2 s ARG 31 Cb -0.05 -3.20 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 2dm2 s ARG 31 CO -0.03 -0.13 -0.01 0.08 -0.81 0.00 0.00 175.30 174.39 2dm2 s VAL 32 N 1.41 4.16 0.54 7.11 1.01 -1.21 0.91 120.40 134.34 2dm2 s VAL 32 Ca 0.05 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2dm2 s VAL 32 Cb -0.15 -2.80 0.07 0.00 0.00 0.00 0.00 36.38 33.50 2dm2 s VAL 32 CO 0.02 0.53 0.72 0.00 0.00 0.00 0.00 175.10 176.36 2dm2 s ALA 33 N -0.08 4.65 0.00 5.51 0.00 -0.26 -4.84 121.76 126.75 2dm2 s ALA 33 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.99 2dm2 s ALA 33 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2dm2 s ALA 33 CO 0.02 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2dm2 n GLY 34 N -2.13 3.16 2.90 0.00 0.00 -1.26 -3.40 105.19 104.46 2dm2 n GLY 34 Ca 0.13 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 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 0.66 1.14 1.61 2.47 -1.26 -3.75 114.94 115.82 2dm2 s ASN 35 Ca 0.00 -0.09 -0.17 0.00 0.42 0.00 0.00 52.86 53.02 2dm2 s ASN 35 Cb 0.00 -0.23 0.26 0.00 -1.45 0.00 0.00 41.25 39.83 2dm2 s ASN 35 CO 0.00 -0.01 1.10 -2.16 -3.72 0.00 0.00 177.10 172.31 2dm2 s PRO 36 N 0.49 -0.73 -0.26 0.43 0.04 -1.26 -4.94 135.00 128.76 2dm2 s PRO 36 Ca -0.06 0.11 -0.38 0.00 0.04 0.00 0.00 61.00 60.72 2dm2 s PRO 36 Cb -0.09 -1.64 -0.14 0.00 0.04 0.00 0.00 34.50 32.68 2dm2 s PRO 36 CO -0.00 -3.42 1.90 1.63 0.04 0.00 0.00 177.00 177.14 2dm2 n LYS 37 N -4.59 1.34 -1.83 4.56 5.02 -1.25 -4.91 118.16 116.51 2dm2 n LYS 37 Ca 0.10 0.47 -0.33 0.00 -2.02 0.00 0.00 58.31 56.53 2dm2 n LYS 37 Cb 0.59 -2.30 0.04 0.00 -0.02 0.00 0.00 35.03 33.33 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 4.41 2.88 -0.41 1.97 0.04 -1.26 -4.96 135.00 137.68 2dm2 s PRO 38 Ca 1.00 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 63.17 2dm2 s PRO 38 Cb -0.94 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 31.65 2dm2 s PRO 38 CO 0.59 -1.19 1.41 0.15 0.04 0.00 0.00 177.00 178.00 2dm2 s LYS 39 N -3.99 3.59 0.10 4.56 1.02 -0.57 -4.75 119.74 119.69 2dm2 s LYS 39 Ca 0.68 0.95 -0.25 0.00 0.02 0.00 0.00 55.97 57.37 2dm2 s LYS 39 Cb -0.21 -4.02 -0.07 0.00 -0.52 0.00 0.00 37.83 33.02 2dm2 s LYS 39 CO 0.40 -1.55 0.76 0.42 -0.92 0.00 0.00 175.35 174.46 2dm2 s ILE 40 N 5.40 4.58 -0.04 2.17 -1.09 -1.26 -1.76 121.20 129.19 2dm2 s ILE 40 Ca 0.61 1.64 -0.02 0.00 -2.23 0.00 0.00 60.65 60.66 2dm2 s ILE 40 Cb -0.14 -4.11 0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2dm2 s ILE 40 CO 0.32 0.44 0.06 -0.31 -1.23 0.00 0.00 174.94 174.22 2dm2 s TYR 41 N -0.57 0.04 -0.06 3.97 2.02 -0.50 -5.02 117.35 117.23 2dm2 s TYR 41 Ca 0.37 0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 57.17 2dm2 s TYR 41 Cb -0.22 -0.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 2dm2 s TYR 41 CO 0.24 -0.17 0.39 -1.58 -1.57 0.00 0.00 175.55 172.86 2dm2 s TRP 42 N 1.92 3.62 -0.11 2.71 0.52 -1.26 -1.52 118.94 124.81 2dm2 s TRP 42 Ca 0.02 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.03 2dm2 s TRP 42 Cb -0.12 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 29.86 2dm2 s TRP 42 CO -0.03 0.46 -0.19 -0.06 0.02 0.00 0.00 176.95 177.15 2dm2 s PHE 43 N -0.38 2.27 -0.18 -1.98 0.40 0.32 -3.42 117.98 115.01 2dm2 s PHE 43 Ca 0.22 -1.04 0.01 0.00 -0.60 0.00 0.00 56.93 55.52 2dm2 s PHE 43 Cb -0.15 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.82 2dm2 s PHE 43 CO 0.10 -0.48 -0.18 0.21 0.70 0.00 0.00 175.22 175.57 2dm2 s LYS 44 N 0.74 3.04 -1.24 0.44 2.47 -0.42 -1.49 119.74 123.28 2dm2 s LYS 44 Ca -0.11 -0.81 -0.09 0.00 -1.56 0.00 0.00 55.97 53.40 2dm2 s LYS 44 Cb -0.16 -2.61 0.07 0.00 -1.46 0.00 0.00 37.83 33.68 2dm2 s LYS 44 CO 0.02 -0.19 0.44 -3.47 0.16 0.00 0.00 175.35 172.31 2dm2 n ASP 45 N 4.58 -3.47 -1.74 1.43 2.03 -1.24 -0.44 116.55 117.71 2dm2 n ASP 45 Ca -0.21 -0.36 -0.09 0.00 0.52 0.00 0.00 54.79 54.65 2dm2 n ASP 45 Cb 0.50 -2.89 0.03 0.00 -0.72 0.00 0.00 41.12 38.04 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 -1.11 0.34 3.03 0.27 0.00 -1.26 -5.05 105.19 101.41 2dm2 n GLY 46 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -5.39 0.19 0.39 1.61 1.02 0.42 -5.15 119.74 112.83 2dm2 s LYS 47 Ca 0.20 0.29 -0.25 0.00 0.02 0.00 0.00 55.97 56.23 2dm2 s LYS 47 Cb -0.09 0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 2dm2 s LYS 47 CO 0.28 -0.06 1.18 -1.14 -0.92 0.00 0.00 175.35 174.69 2dm2 s GLN 48 N 0.37 4.08 0.06 1.68 -0.44 -1.26 -1.30 119.66 122.84 2dm2 s GLN 48 Ca -0.02 1.86 0.07 0.00 -2.50 0.00 0.00 55.36 54.77 2dm2 s GLN 48 Cb -0.04 -2.71 -0.03 0.00 -1.64 0.00 0.00 33.01 28.59 2dm2 s GLN 48 CO -0.02 -0.30 -0.16 0.42 0.50 0.00 0.00 175.29 175.73 2dm2 s ILE 49 N -1.39 2.95 -0.05 -2.34 1.01 -1.22 -4.92 121.20 115.24 2dm2 s ILE 49 Ca 0.56 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2dm2 s ILE 49 Cb -0.31 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2dm2 s ILE 49 CO 0.39 0.27 0.25 -0.55 0.00 0.00 0.00 174.94 175.30 2dm2 s SER 50 N -1.66 6.53 0.18 3.58 0.15 -1.26 -4.85 113.70 116.36 2dm2 s SER 50 Ca 0.16 0.63 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 2dm2 s SER 50 Cb -0.11 -2.12 0.06 0.00 -1.71 0.00 0.00 66.02 62.15 2dm2 s SER 50 CO 0.07 0.34 1.52 1.55 1.20 0.00 0.00 173.24 177.92 2dm2 h PRO 51 N 4.59 0.77 0.00 5.44 0.13 -1.97 -2.72 132.00 138.24 2dm2 h PRO 51 Ca -0.53 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 2dm2 h PRO 51 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dm2 h PRO 51 CO 0.61 1.04 0.00 1.63 -0.23 0.00 0.00 178.00 181.05 2dm2 n LYS 52 N -4.04 0.80 -1.90 0.86 4.76 -1.26 -4.55 118.16 112.84 2dm2 n LYS 52 Ca -0.02 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 2dm2 n LYS 52 Cb 0.54 -1.39 0.05 0.00 -1.84 0.00 0.00 35.03 32.39 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 -1.82 4.95 -0.16 4.39 0.15 -1.03 -4.98 113.70 115.21 2dm2 s SER 53 Ca 0.30 2.45 -0.25 0.00 0.70 0.00 0.00 55.95 59.15 2dm2 s SER 53 Cb 0.14 -2.60 -0.22 0.00 -1.71 0.00 0.00 66.02 61.62 2dm2 s SER 53 CO 0.23 -1.76 0.54 -2.24 1.20 0.00 0.00 173.24 171.22 2dm2 h ASP 54 N 0.70 0.00 0.00 5.45 2.03 -1.89 -3.40 116.42 119.32 2dm2 h ASP 54 Ca -0.50 -0.78 0.00 0.00 -0.73 0.00 0.00 57.03 55.01 2dm2 h ASP 54 Cb 1.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.81 2dm2 h ASP 54 CO 0.54 1.14 0.00 1.57 -1.03 0.00 0.00 179.24 181.46 2dm2 n HIS 55 N -4.56 0.00 -3.45 4.15 -0.00 -1.26 -4.45 115.22 105.65 2dm2 n HIS 55 Ca -0.17 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.63 2dm2 n HIS 55 Cb 0.52 -0.50 -0.06 0.00 -0.12 0.00 0.00 29.99 29.84 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 -2.99 3.67 -0.31 1.57 2.02 -1.26 -4.10 117.35 115.95 2dm2 s TYR 56 Ca 0.00 0.97 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 2dm2 s TYR 56 Cb 0.00 -2.36 0.09 0.00 -0.40 0.00 0.00 41.96 39.28 2dm2 s TYR 56 CO 0.00 0.52 -0.01 0.99 -1.57 0.00 0.00 175.55 175.48 2dm2 s THR 57 N -0.63 2.26 -0.37 -0.71 2.01 -0.62 -4.48 115.64 113.11 2dm2 s THR 57 Ca 0.24 -2.08 -0.17 0.00 0.31 0.00 0.00 61.69 60.00 2dm2 s THR 57 Cb -0.16 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.80 2dm2 s THR 57 CO 0.13 -0.39 0.43 -0.63 -0.69 0.00 0.00 174.62 173.46 2dm2 s ILE 58 N 0.98 5.10 0.14 1.82 1.01 -1.26 -2.20 121.20 126.79 2dm2 s ILE 58 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2dm2 s ILE 58 Cb -0.19 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2dm2 s ILE 58 CO -0.07 -0.23 0.02 -1.10 0.00 0.00 0.00 174.94 173.56 2dm2 s GLN 59 N 2.16 2.51 -0.09 2.79 -0.21 -1.06 -4.99 119.66 120.77 2dm2 s GLN 59 Ca 0.14 -0.98 -0.04 0.00 0.02 0.00 0.00 55.36 54.49 2dm2 s GLN 59 Cb -0.16 -2.46 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2dm2 s GLN 59 CO 0.13 0.49 0.08 1.03 -2.12 0.00 0.00 175.29 174.90 2dm2 s ARG 60 N -2.74 3.24 0.57 2.91 0.52 -1.26 -3.19 118.95 119.00 2dm2 s ARG 60 Ca 0.27 -0.27 0.06 0.00 -0.52 0.00 0.00 55.73 55.27 2dm2 s ARG 60 Cb -0.10 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.41 2dm2 s ARG 60 CO 0.19 0.74 0.49 -0.25 0.02 0.00 0.00 175.30 176.49 2dm2 n ASP 61 N 1.95 2.70 -0.05 0.23 8.00 -1.25 -5.00 116.55 123.13 2dm2 n ASP 61 Ca -0.19 -2.88 -0.14 0.00 0.71 0.00 0.00 54.79 52.29 2dm2 n ASP 61 Cb 0.54 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.46 2dm2 n ASP 61 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2dm2 h LEU 62 N 0.00 0.47 -2.73 0.64 3.38 -2.00 -3.11 115.31 111.97 2dm2 h LEU 62 Ca -0.34 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 56.96 2dm2 h LEU 62 Cb 1.31 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2dm2 h LEU 62 CO 0.53 0.93 0.16 0.47 0.09 0.00 0.00 178.44 180.62 2dm2 n ASP 63 N -4.44 4.21 -4.25 -0.43 8.00 -1.26 -4.81 116.55 113.57 2dm2 n ASP 63 Ca -0.07 -2.48 -0.34 0.00 0.71 0.00 0.00 54.79 52.61 2dm2 n ASP 63 Cb 0.44 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 40.72 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 0.47 -0.33 3.32 0.44 0.00 -1.17 -4.69 105.19 103.23 2dm2 n GLY 64 Ca 0.13 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.62 4.76 0.50 2.61 2.01 -1.26 -3.30 115.64 117.34 2dm2 s THR 65 Ca 0.47 -1.28 -0.23 0.00 0.31 0.00 0.00 61.69 60.97 2dm2 s THR 65 Cb -0.27 -3.90 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 2dm2 s THR 65 CO 0.95 -0.58 1.33 0.00 -0.69 0.00 0.00 174.62 175.64 2dm2 s SER 67 N -0.92 1.31 -0.20 0.00 1.04 -1.19 -1.57 113.70 112.17 2dm2 s SER 67 Ca 0.67 -0.15 -0.13 0.00 0.48 0.00 0.00 55.95 56.82 2dm2 s SER 67 Cb -0.39 0.36 -0.05 0.00 0.10 0.00 0.00 66.02 66.05 2dm2 s SER 67 CO 0.47 -0.32 0.24 -0.22 0.98 0.00 0.00 173.24 174.40 2dm2 s LEU 68 N 2.32 4.18 0.05 2.42 2.96 -0.83 -2.58 118.68 127.21 2dm2 s LEU 68 Ca 0.06 0.34 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2dm2 s LEU 68 Cb -0.15 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 2dm2 s LEU 68 CO -0.11 0.07 -0.22 -2.28 -1.32 0.00 0.00 176.35 172.49 2dm2 s HIS 69 N 0.79 2.45 -0.26 5.38 5.65 -0.94 -1.71 115.29 126.65 2dm2 s HIS 69 Ca 0.13 -0.32 -0.02 0.00 0.25 0.00 0.00 55.06 55.10 2dm2 s HIS 69 Cb -0.13 -1.42 0.08 0.00 -1.18 0.00 0.00 32.58 29.93 2dm2 s HIS 69 CO 0.04 0.22 0.07 0.99 -0.65 0.00 0.00 174.74 175.40 2dm2 s THR 70 N -0.90 0.66 0.28 0.89 2.01 -0.95 -1.59 115.64 116.04 2dm2 s THR 70 Ca 0.14 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2dm2 s THR 70 Cb -0.10 -1.36 0.10 0.00 0.01 0.00 0.00 72.50 71.15 2dm2 s THR 70 CO 0.04 -0.49 1.76 0.00 -0.69 0.00 0.00 174.62 175.25 2dm2 h THR 71 N 6.50 1.24 -3.22 -0.82 1.03 -1.89 -2.95 112.91 112.80 2dm2 h THR 71 Ca -0.15 -1.05 -0.54 0.00 -0.01 0.00 0.00 66.41 64.66 2dm2 h THR 71 Cb 1.06 1.04 -0.37 0.00 -1.07 0.00 0.00 68.15 68.80 2dm2 h THR 71 CO 0.42 0.36 -0.80 0.00 -0.01 0.00 0.00 175.52 175.48 2dm2 s ALA 72 N -4.82 1.38 -0.27 0.00 0.00 -1.26 -4.32 121.76 112.47 2dm2 s ALA 72 Ca -0.08 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2dm2 s ALA 72 Cb 0.14 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2dm2 s ALA 72 CO 0.80 -0.53 -0.03 -1.54 0.00 0.00 0.00 175.76 174.46 2dm2 s SER 73 N 1.68 4.60 0.19 0.00 1.04 -1.26 -4.99 113.70 114.97 2dm2 s SER 73 Ca 0.04 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.39 2dm2 s SER 73 Cb -0.13 -1.70 -0.06 0.00 0.10 0.00 0.00 66.02 64.23 2dm2 s SER 73 CO -0.08 -0.19 0.43 0.42 0.98 0.00 0.00 173.24 174.80 2dm2 s THR 74 N 1.31 5.11 0.32 2.02 -4.23 -1.26 -0.27 115.64 118.65 2dm2 s THR 74 Ca -0.02 0.05 0.22 0.00 -1.18 0.00 0.00 61.69 60.76 2dm2 s THR 74 Cb -0.18 -3.65 0.35 0.00 1.34 0.00 0.00 72.50 70.36 2dm2 s THR 74 CO -0.03 -0.06 1.21 0.18 -0.54 0.00 0.00 174.62 175.39 2dm2 n LEU 75 N -0.20 0.20 -0.08 4.79 4.77 -1.26 0.23 117.00 125.46 2dm2 n LEU 75 Ca -0.02 1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 57.01 2dm2 n LEU 75 Cb 0.52 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2dm2 n LEU 75 CO 0.48 -1.26 0.88 0.44 -1.33 0.00 0.00 177.39 176.60 2dm2 h ASP 76 N 0.00 0.35 -1.55 -1.43 5.19 -1.99 -2.65 116.42 114.35 2dm2 h ASP 76 Ca 0.67 -0.16 0.45 0.00 -0.62 0.00 0.00 57.03 57.37 2dm2 h ASP 76 Cb 2.04 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 41.40 2dm2 h ASP 76 CO -0.44 0.42 1.21 -0.67 -3.12 0.00 0.00 179.24 176.64 2dm2 n ASP 77 N -4.78 0.00 -4.69 6.45 2.03 0.63 -4.32 116.55 111.88 2dm2 n ASP 77 Ca -0.03 0.82 -0.42 0.00 0.52 0.00 0.00 54.79 55.69 2dm2 n ASP 77 Cb 0.13 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.11 2dm2 n ASP 77 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2dm2 s ASP 78 N -3.76 6.53 0.00 1.67 -4.77 -1.00 -4.76 116.67 110.58 2dm2 s ASP 78 Ca -0.04 2.60 0.00 0.00 -3.30 0.00 0.00 52.55 51.81 2dm2 s ASP 78 Cb 0.21 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.47 2dm2 s ASP 78 CO 0.70 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 176.24 2dm2 n GLY 79 N 4.10 -0.35 2.83 2.12 0.00 -1.26 -5.04 105.19 107.59 2dm2 n GLY 79 Ca 0.17 0.39 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 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 1.01 -0.65 1.61 2.20 -1.26 -3.58 114.94 110.28 2dm2 s ASN 80 Ca 0.00 0.04 -0.19 0.00 -0.94 0.00 0.00 52.86 51.77 2dm2 s ASN 80 Cb 0.00 0.49 0.11 0.00 -2.00 0.00 0.00 41.25 39.85 2dm2 s ASN 80 CO 0.00 -0.30 0.79 -0.31 -2.94 0.00 0.00 177.10 174.34 2dm2 s TYR 81 N 2.36 2.99 -0.19 1.54 1.51 -1.13 -3.60 117.35 120.83 2dm2 s TYR 81 Ca 0.06 -0.99 -0.16 0.00 -1.01 0.00 0.00 57.07 54.97 2dm2 s TYR 81 Cb -0.15 -4.08 -0.04 0.00 -0.11 0.00 0.00 41.96 37.59 2dm2 s TYR 81 CO -0.11 -1.36 0.41 0.99 -1.11 0.00 0.00 175.55 174.37 2dm2 s THR 82 N 2.78 5.19 -0.26 -0.71 2.01 -0.56 -2.93 115.64 121.17 2dm2 s THR 82 Ca 0.15 0.73 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 2dm2 s THR 82 Cb -0.21 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.58 2dm2 s THR 82 CO 0.05 0.26 0.01 -0.51 -0.69 0.00 0.00 174.62 173.73 2dm2 s ILE 83 N 1.26 3.51 0.01 1.82 2.07 -1.21 -0.52 121.20 128.15 2dm2 s ILE 83 Ca 0.20 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 2dm2 s ILE 83 Cb -0.15 -2.75 -0.04 0.00 0.13 0.00 0.00 42.46 39.65 2dm2 s ILE 83 CO 0.08 0.20 0.07 -0.32 -1.91 0.00 0.00 174.94 173.06 2dm2 s MET 84 N 1.44 3.00 -0.01 3.50 -2.45 -0.58 -2.00 119.30 122.21 2dm2 s MET 84 Ca 0.03 -0.53 0.07 0.00 -1.25 0.00 0.00 55.69 54.00 2dm2 s MET 84 Cb -0.16 -2.82 -0.02 0.00 1.25 0.00 0.00 34.83 33.08 2dm2 s MET 84 CO -0.01 0.63 -0.23 0.00 1.05 0.00 0.00 175.02 176.47 2dm2 s ALA 85 N -1.21 1.89 -0.18 4.11 0.00 -0.24 -1.41 121.76 124.72 2dm2 s ALA 85 Ca 0.24 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 2dm2 s ALA 85 Cb -0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2dm2 s ALA 85 CO 0.15 0.46 -0.05 0.00 0.00 0.00 0.00 175.76 176.32 2dm2 s ALA 86 N -0.58 2.87 -0.03 0.00 0.00 -0.72 -3.11 121.76 120.19 2dm2 s ALA 86 Ca 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 2dm2 s ALA 86 Cb -0.09 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.44 2dm2 s ALA 86 CO -0.00 -0.10 0.10 1.21 0.00 0.00 0.00 175.76 176.97 2dm2 s ASN 87 N 0.91 -0.07 0.00 0.00 2.47 -1.20 -1.51 114.94 115.54 2dm2 s ASN 87 Ca -0.01 0.10 0.09 0.00 0.42 0.00 0.00 52.86 53.47 2dm2 s ASN 87 Cb -0.15 0.21 0.56 0.00 -1.45 0.00 0.00 41.25 40.43 2dm2 s ASN 87 CO 0.01 -0.11 1.00 -0.81 -3.72 0.00 0.00 177.10 173.47 2dm2 n PRO 88 N 2.67 0.49 0.00 0.43 -0.04 -1.26 -1.89 135.00 135.40 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 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.80 5.20 0.00 0.54 1.13 -1.26 -5.09 117.38 117.11 2dm2 n GLN 89 Ca 0.07 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 2dm2 n GLN 89 Cb 0.03 -0.47 0.00 0.00 0.11 0.00 0.00 30.24 29.91 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 0.76 3.80 3.43 1.08 0.00 -0.79 -4.21 105.19 109.25 2dm2 n GLY 90 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.73 2.67 0.19 1.61 3.52 -1.26 -3.26 118.95 120.69 2dm2 s ARG 91 Ca 0.00 -0.72 0.04 0.00 -0.13 0.00 0.00 55.73 54.92 2dm2 s ARG 91 Cb 0.00 -2.40 -0.05 0.00 -1.56 0.00 0.00 34.95 30.94 2dm2 s ARG 91 CO 0.00 0.52 -0.06 0.96 -0.81 0.00 0.00 175.30 175.91 2dm2 s ILE 92 N -0.47 1.15 -0.04 4.11 -4.36 -1.18 -5.01 121.20 115.40 2dm2 s ILE 92 Ca 0.06 -2.06 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 2dm2 s ILE 92 Cb -0.12 -2.10 0.02 0.00 1.25 0.00 0.00 42.46 41.51 2dm2 s ILE 92 CO 0.02 -0.53 0.27 -0.94 0.24 0.00 0.00 174.94 173.99 2dm2 s SER 93 N -3.25 -0.18 0.42 4.36 1.04 -1.26 -1.08 113.70 113.75 2dm2 s SER 93 Ca 0.23 0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.89 2dm2 s SER 93 Cb 0.04 0.38 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 2dm2 s SER 93 CO 0.05 -0.32 0.02 0.00 0.98 0.00 0.00 173.24 173.97 2dm2 s THR 95 N -2.84 0.35 0.16 0.00 2.01 -1.26 -3.29 115.64 110.78 2dm2 s THR 95 Ca 0.28 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.25 2dm2 s THR 95 Cb 0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 2dm2 s THR 95 CO 0.14 0.14 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.25 2dm2 s GLY 96 N 0.46 1.22 0.06 4.40 0.00 -1.15 -4.78 107.32 107.52 2dm2 s GLY 96 Ca -0.05 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.22 2dm2 s GLY 96 CO -0.01 -1.58 -0.12 -1.60 0.00 0.00 0.00 173.10 169.80 2dm2 s ARG 97 N -3.34 0.73 -0.02 2.90 6.06 -1.26 -2.82 118.95 121.20 2dm2 s ARG 97 Ca 0.16 -0.84 0.03 0.00 -2.50 0.00 0.00 55.73 52.58 2dm2 s ARG 97 Cb -0.01 -0.66 -0.00 0.00 0.06 0.00 0.00 34.95 34.33 2dm2 s ARG 97 CO 0.04 0.15 -0.09 -0.51 -2.50 0.00 0.00 175.30 172.39 2dm2 s LEU 98 N -1.55 1.88 -0.36 -0.88 1.43 -1.23 -4.49 118.68 113.47 2dm2 s LEU 98 Ca -0.04 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2dm2 s LEU 98 Cb -0.09 -0.51 0.08 0.00 0.03 0.00 0.00 46.19 45.69 2dm2 s LEU 98 CO 0.01 0.08 0.12 -0.04 0.23 0.00 0.00 176.35 176.76 2dm2 s MET 99 N 0.03 2.24 -0.21 1.70 -1.94 -1.24 -4.27 119.30 115.62 2dm2 s MET 99 Ca -0.00 -1.53 -0.05 0.00 -1.71 0.00 0.00 55.69 52.39 2dm2 s MET 99 Cb -0.06 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 2dm2 s MET 99 CO 0.00 -0.85 0.01 0.08 -0.01 0.00 0.00 175.02 174.24 2dm2 s VAL 100 N 1.22 3.99 -0.26 -6.03 1.01 -1.25 -2.20 120.40 116.88 2dm2 s VAL 100 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 2dm2 s VAL 100 Cb -0.21 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 2dm2 s VAL 100 CO -0.02 0.42 0.04 -1.10 0.00 0.00 0.00 175.10 174.44 2dm2 s GLN 101 N 1.07 3.37 -0.20 2.72 -1.52 -1.16 -4.87 119.66 119.07 2dm2 s GLN 101 Ca 0.02 -0.66 -0.35 0.00 -1.95 0.00 0.00 55.36 52.43 2dm2 s GLN 101 Cb -0.14 -3.26 -0.11 0.00 -0.22 0.00 0.00 33.01 29.28 2dm2 s GLN 101 CO 0.02 -0.28 1.98 0.00 -0.25 0.00 0.00 175.29 176.75 2dm2 n ALA 102 N 4.87 0.88 0.00 6.09 0.00 -1.26 -1.48 120.51 129.61 2dm2 n ALA 102 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2dm2 n ALA 102 Cb 0.50 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 5.87 0.00 -3.67 0.00 3.14 -1.26 -4.90 118.33 117.51 2dm2 n VAL 103 Ca 0.29 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.47 2dm2 n VAL 103 Cb 0.27 -0.79 -0.18 0.00 -1.06 0.00 0.00 33.84 32.09 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 -3.22 1.13 0.25 6.55 3.84 -1.26 -4.97 114.94 117.26 2dm2 s ASN 104 Ca 0.00 0.09 -0.10 0.00 0.21 0.00 0.00 52.86 53.06 2dm2 s ASN 104 Cb 0.00 -0.12 -0.01 0.00 -0.55 0.00 0.00 41.25 40.57 2dm2 s ASN 104 CO 0.00 -0.25 0.42 -0.94 -2.79 0.00 0.00 177.10 173.54 2dm2 s SER 105 N 2.18 0.06 0.84 -4.21 1.04 -1.26 -4.94 113.70 107.40 2dm2 s SER 105 Ca 0.05 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2dm2 s SER 105 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dm2 s SER 105 CO -0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2dm2 n GLY 106 N -0.38 -0.79 0.19 7.32 0.00 -1.26 -4.18 105.19 106.08 2dm2 n GLY 106 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2dm2 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm2 h PRO 107 N 0.00 0.59 -6.04 1.61 0.13 -2.07 -3.44 132.00 122.77 2dm2 h PRO 107 Ca 0.00 -0.31 -0.80 0.00 -0.87 0.00 0.00 66.00 64.02 2dm2 h PRO 107 Cb 0.02 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.16 2dm2 h PRO 107 CO 0.00 0.91 0.93 0.43 -0.23 0.00 0.00 178.00 180.03 2dm2 n SER 108 N -4.36 1.51 -4.46 1.44 7.64 -1.26 -4.89 113.62 109.25 2dm2 n SER 108 Ca -0.05 1.00 -0.43 0.00 1.01 0.00 0.00 58.87 60.40 2dm2 n SER 108 Cb 0.44 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 2dm2 n SER 108 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm2 s SER 109 N 4.08 6.10 0.00 6.43 1.04 -1.26 -4.63 113.70 125.46 2dm2 s SER 109 Ca 1.07 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 56.58 2dm2 s SER 109 Cb -1.34 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 62.63 2dm2 s SER 109 CO 0.72 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 175.10