#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 3.59 -4.50 1.61 3.41 -1.26 -4.89 113.62 111.59 2dm2 n SER 2 Ca 0.00 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 2dm2 n SER 2 Cb 0.00 -1.53 -0.01 0.00 -0.26 0.00 0.00 64.21 62.41 2dm2 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dm2 s SER 3 N 6.67 6.85 0.07 4.04 0.01 -1.26 -4.92 113.70 125.16 2dm2 s SER 3 Ca 0.96 -2.47 -0.26 0.00 1.31 0.00 0.00 55.95 55.49 2dm2 s SER 3 Cb -0.40 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.46 2dm2 s SER 3 CO 0.39 -1.01 0.77 -0.83 0.41 0.00 0.00 173.24 172.97 2dm2 s GLY 4 N 3.60 -0.52 0.03 3.44 0.00 -1.26 -5.17 107.32 107.43 2dm2 s GLY 4 Ca 0.44 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.96 2dm2 s GLY 4 CO -0.01 0.26 -0.01 -1.35 0.00 0.00 0.00 173.10 171.98 2dm2 s SER 5 N -2.60 5.01 -0.20 1.64 1.04 -1.26 -5.02 113.70 112.30 2dm2 s SER 5 Ca 0.03 -0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.51 2dm2 s SER 5 Cb -0.01 -1.25 0.40 0.00 0.10 0.00 0.00 66.02 65.26 2dm2 s SER 5 CO -0.10 0.25 1.24 -0.24 0.98 0.00 0.00 173.24 175.36 2dm2 n SER 6 N 1.18 1.98 -1.22 7.02 2.88 -1.26 -4.64 113.62 119.56 2dm2 n SER 6 Ca -0.14 -3.70 0.04 0.00 -1.33 0.00 0.00 58.87 53.75 2dm2 n SER 6 Cb 0.52 -0.52 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 2dm2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm2 n GLY 7 N -1.17 2.63 3.78 0.46 0.00 -1.26 -5.09 105.19 104.53 2dm2 n GLY 7 Ca 0.20 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.36 2.46 0.71 4.61 0.00 -1.26 -4.20 121.76 122.72 2dm2 s ALA 8 Ca 0.36 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 2dm2 s ALA 8 Cb 0.38 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.26 2dm2 s ALA 8 CO -0.13 -1.41 1.10 -1.25 0.00 0.00 0.00 175.76 174.08 2dm2 s PRO 9 N -4.60 2.58 -0.03 0.00 0.04 -1.26 -4.31 135.00 127.41 2dm2 s PRO 9 Ca 0.62 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 2dm2 s PRO 9 Cb -0.17 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2dm2 s PRO 9 CO 0.49 -1.41 0.67 -0.59 0.04 0.00 0.00 177.00 176.20 2dm2 s PHE 10 N -2.57 -0.64 -0.47 0.56 -0.12 -1.21 -4.76 117.98 108.76 2dm2 s PHE 10 Ca 0.65 1.05 -0.20 0.00 -0.05 0.00 0.00 56.93 58.37 2dm2 s PHE 10 Cb -0.19 0.42 0.04 0.00 -0.63 0.00 0.00 43.02 42.65 2dm2 s PHE 10 CO 0.48 -0.63 0.66 -0.06 -0.05 0.00 0.00 175.22 175.62 2dm2 s PHE 11 N -1.42 3.03 0.17 3.49 0.08 -1.26 0.14 117.98 122.22 2dm2 s PHE 11 Ca -0.10 -0.22 -0.07 0.00 0.12 0.00 0.00 56.93 56.66 2dm2 s PHE 11 Cb -0.00 -3.47 0.05 0.00 -0.57 0.00 0.00 43.02 39.03 2dm2 s PHE 11 CO 0.08 -0.97 1.52 0.93 -0.10 0.00 0.00 175.22 176.68 2dm2 h GLU 12 N 8.96 0.82 -3.39 0.44 3.07 -1.48 -3.39 114.58 119.60 2dm2 h GLU 12 Ca -0.26 -0.42 -0.62 0.00 -0.50 0.00 0.00 59.36 57.56 2dm2 h GLU 12 Cb 1.09 0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.61 2dm2 h GLU 12 CO 0.93 1.05 -0.72 1.41 -1.40 0.00 0.00 179.01 180.29 2dm2 s MET 13 N -4.37 1.33 0.25 2.33 0.00 -1.25 -4.97 119.30 112.62 2dm2 s MET 13 Ca -0.10 -1.92 -0.30 0.00 0.00 0.00 0.00 55.69 53.37 2dm2 s MET 13 Cb 0.12 -2.56 -0.14 0.00 0.00 0.00 0.00 34.83 32.24 2dm2 s MET 13 CO 0.86 -1.09 1.20 1.63 0.00 0.00 0.00 175.02 177.62 2dm2 n LYS 14 N 3.81 1.61 -1.51 4.11 4.01 -1.26 -4.12 118.16 124.80 2dm2 n LYS 14 Ca 0.05 0.57 -0.55 0.00 -0.51 0.00 0.00 58.31 57.87 2dm2 n LYS 14 Cb 0.36 -2.08 -0.08 0.00 -0.51 0.00 0.00 35.03 32.72 2dm2 n LYS 14 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2dm2 n LEU 15 N 1.62 1.95 -4.80 -0.35 4.77 -1.26 -4.91 117.00 114.02 2dm2 n LEU 15 Ca 0.11 0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 56.49 2dm2 n LEU 15 Cb 0.31 -1.15 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 2dm2 n LEU 15 CO 0.61 -0.63 0.71 -0.75 -1.33 0.00 0.00 177.39 176.00 2dm2 s LYS 16 N 5.19 2.65 -0.18 3.23 2.20 -1.26 -4.80 119.74 126.77 2dm2 s LYS 16 Ca 1.08 0.98 -0.07 0.00 -0.36 0.00 0.00 55.97 57.59 2dm2 s LYS 16 Cb -1.06 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 2dm2 s LYS 16 CO 0.59 -1.31 0.06 -1.01 -0.36 0.00 0.00 175.35 173.32 2dm2 s HIS 17 N -3.02 3.25 -0.01 4.03 3.76 -1.26 -4.79 115.29 117.25 2dm2 s HIS 17 Ca 0.59 0.08 0.06 0.00 -0.15 0.00 0.00 55.06 55.64 2dm2 s HIS 17 Cb -0.15 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2dm2 s HIS 17 CO 0.55 0.17 -0.18 0.71 -0.85 0.00 0.00 174.74 175.14 2dm2 s TYR 18 N 0.34 1.60 -0.18 1.40 2.02 -1.26 -5.09 117.35 116.17 2dm2 s TYR 18 Ca 0.03 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 2dm2 s TYR 18 Cb -0.12 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 2dm2 s TYR 18 CO 0.00 -0.02 -0.08 0.21 -1.57 0.00 0.00 175.55 174.09 2dm2 s LYS 19 N -0.45 3.39 0.34 -0.62 2.36 -1.26 -3.51 119.74 119.98 2dm2 s LYS 19 Ca 0.07 -0.64 0.04 0.00 -2.55 0.00 0.00 55.97 52.89 2dm2 s LYS 19 Cb -0.07 -2.85 -0.02 0.00 -1.05 0.00 0.00 37.83 33.84 2dm2 s LYS 19 CO -0.01 -0.02 0.34 0.96 1.55 0.00 0.00 175.35 178.18 2dm2 s ILE 20 N 0.99 0.00 0.50 5.43 -4.36 -0.47 -5.01 121.20 118.28 2dm2 s ILE 20 Ca -0.01 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 2dm2 s ILE 20 Cb -0.15 -2.55 0.04 0.00 1.25 0.00 0.00 42.46 41.05 2dm2 s ILE 20 CO -0.00 0.00 0.63 -0.36 0.24 0.00 0.00 174.94 175.44 2dm2 s PHE 21 N -3.30 2.08 0.11 1.37 0.08 -1.26 -2.75 117.98 114.31 2dm2 s PHE 21 Ca 0.38 -0.59 -0.31 0.00 0.12 0.00 0.00 56.93 56.52 2dm2 s PHE 21 Cb 0.01 -2.24 -0.08 0.00 -0.57 0.00 0.00 43.02 40.15 2dm2 s PHE 21 CO 0.26 -0.70 1.45 -2.00 -0.10 0.00 0.00 175.22 174.13 2dm2 s GLU 22 N -4.45 4.28 0.00 0.44 2.12 0.18 -2.69 118.70 118.58 2dm2 s GLU 22 Ca 0.55 2.15 0.00 0.00 0.36 0.00 0.00 54.97 58.03 2dm2 s GLU 22 Cb -0.07 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2dm2 s GLU 22 CO 0.34 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 2dm2 n GLY 23 N 3.61 2.96 3.77 -1.50 0.00 0.83 -4.60 105.19 110.27 2dm2 n GLY 23 Ca 0.13 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 4.28 0.80 1.61 -1.94 -1.10 -4.06 119.30 118.89 2dm2 s MET 24 Ca 0.00 2.30 -0.11 0.00 -1.71 0.00 0.00 55.69 56.17 2dm2 s MET 24 Cb 0.00 -3.03 0.07 0.00 2.01 0.00 0.00 34.83 33.88 2dm2 s MET 24 CO 0.00 -0.28 1.09 -1.25 -0.01 0.00 0.00 175.02 174.57 2dm2 s PRO 25 N -1.89 2.06 0.04 2.03 0.04 -1.26 -3.72 135.00 132.31 2dm2 s PRO 25 Ca 0.50 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2dm2 s PRO 25 Cb -0.41 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2dm2 s PRO 25 CO 0.55 -1.76 -0.04 0.54 0.04 0.00 0.00 177.00 176.33 2dm2 s VAL 26 N -2.91 0.27 -0.03 -0.36 0.11 -0.94 -4.99 120.40 111.55 2dm2 s VAL 26 Ca 0.62 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2dm2 s VAL 26 Cb -0.17 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2dm2 s VAL 26 CO 0.56 -0.68 0.00 -0.89 -3.33 0.00 0.00 175.10 170.76 2dm2 s THR 27 N -2.46 0.17 -0.28 5.04 2.01 -1.26 -1.63 115.64 117.23 2dm2 s THR 27 Ca -0.05 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.09 2dm2 s THR 27 Cb -0.03 -0.28 0.08 0.00 0.01 0.00 0.00 72.50 72.28 2dm2 s THR 27 CO -0.04 0.16 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.65 2dm2 s PHE 28 N 1.16 3.14 -0.07 4.92 0.08 0.33 -4.99 117.98 122.55 2dm2 s PHE 28 Ca -0.08 -2.39 -0.02 0.00 0.12 0.00 0.00 56.93 54.56 2dm2 s PHE 28 Cb -0.13 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.11 2dm2 s PHE 28 CO -0.02 -0.88 0.02 0.99 -0.10 0.00 0.00 175.22 175.23 2dm2 s THR 29 N 1.13 4.46 -0.11 0.64 2.01 -1.26 -1.12 115.64 121.39 2dm2 s THR 29 Ca -0.00 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.52 2dm2 s THR 29 Cb -0.19 -2.91 0.06 0.00 0.01 0.00 0.00 72.50 69.46 2dm2 s THR 29 CO -0.08 0.56 0.57 0.00 -0.69 0.00 0.00 174.62 174.98 2dm2 s ARG 31 N -0.60 2.81 -0.03 0.00 0.52 -1.26 -2.67 118.95 117.72 2dm2 s ARG 31 Ca -0.07 -1.03 -0.12 0.00 -0.52 0.00 0.00 55.73 53.99 2dm2 s ARG 31 Cb -0.03 -3.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 2dm2 s ARG 31 CO 0.05 -0.52 0.33 0.08 0.02 0.00 0.00 175.30 175.26 2dm2 s VAL 32 N 1.39 5.18 0.51 3.52 1.01 -1.26 -1.10 120.40 129.65 2dm2 s VAL 32 Ca -0.00 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.64 2dm2 s VAL 32 Cb -0.18 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2dm2 s VAL 32 CO 0.00 0.56 0.39 0.00 0.00 0.00 0.00 175.10 176.06 2dm2 s ALA 33 N -1.10 4.29 0.00 5.51 0.00 0.12 -4.92 121.76 125.66 2dm2 s ALA 33 Ca 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2dm2 s ALA 33 Cb -0.15 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.20 2dm2 s ALA 33 CO 0.11 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2dm2 n GLY 34 N -1.69 1.92 3.16 0.00 0.00 -1.26 -3.34 105.19 103.98 2dm2 n GLY 34 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.08 1.15 1.03 1.61 4.22 -1.26 -4.24 114.94 117.37 2dm2 s ASN 35 Ca 0.00 -0.92 -0.13 0.00 -2.14 0.00 0.00 52.86 49.67 2dm2 s ASN 35 Cb 0.00 0.07 0.20 0.00 1.28 0.00 0.00 41.25 42.81 2dm2 s ASN 35 CO 0.00 -0.40 1.09 -2.16 -2.04 0.00 0.00 177.10 173.59 2dm2 s PRO 36 N -3.40 0.20 -0.75 3.55 0.04 -1.26 -4.68 135.00 128.70 2dm2 s PRO 36 Ca 0.08 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.37 2dm2 s PRO 36 Cb 0.02 -1.72 -0.18 0.00 0.04 0.00 0.00 34.50 32.66 2dm2 s PRO 36 CO -0.03 -2.87 1.93 1.17 0.04 0.00 0.00 177.00 177.24 2dm2 n LYS 37 N -4.26 0.00 -1.77 4.56 3.00 -1.26 -4.83 118.16 113.61 2dm2 n LYS 37 Ca 0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.03 2dm2 n LYS 37 Cb 0.58 -1.04 0.05 0.00 0.00 0.00 0.00 35.03 34.61 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 6.42 2.81 0.58 1.64 0.04 -1.26 -5.01 135.00 140.22 2dm2 s PRO 38 Ca 1.01 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.27 2dm2 s PRO 38 Cb -0.88 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 2dm2 s PRO 38 CO 0.38 -1.24 1.11 0.15 0.04 0.00 0.00 177.00 177.44 2dm2 s LYS 39 N -4.08 3.23 -0.07 4.56 1.02 -1.07 -4.81 119.74 118.52 2dm2 s LYS 39 Ca 0.67 1.48 0.02 0.00 0.02 0.00 0.00 55.97 58.16 2dm2 s LYS 39 Cb -0.21 -2.00 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 2dm2 s LYS 39 CO 0.41 -0.92 -0.14 0.42 -0.92 0.00 0.00 175.35 174.21 2dm2 s ILE 40 N -2.04 1.25 -0.06 2.17 -1.09 -1.26 -2.38 121.20 117.80 2dm2 s ILE 40 Ca 0.69 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2dm2 s ILE 40 Cb -0.21 -1.13 0.01 0.00 -1.58 0.00 0.00 42.46 39.55 2dm2 s ILE 40 CO 0.32 0.38 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.97 2dm2 s TYR 41 N 0.64 1.49 -0.22 3.97 1.51 -0.95 -5.02 117.35 118.76 2dm2 s TYR 41 Ca -0.15 -0.53 -0.08 0.00 -1.01 0.00 0.00 57.07 55.30 2dm2 s TYR 41 Cb -0.16 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 2dm2 s TYR 41 CO 0.04 -0.26 0.09 -1.58 -1.11 0.00 0.00 175.55 172.74 2dm2 s TRP 42 N 0.55 3.20 -0.06 2.71 0.52 -1.26 -2.22 118.94 122.38 2dm2 s TRP 42 Ca -0.13 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 55.99 2dm2 s TRP 42 Cb -0.15 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 2dm2 s TRP 42 CO 0.04 -0.06 -0.23 -0.06 0.02 0.00 0.00 176.95 176.65 2dm2 s PHE 43 N 1.04 2.28 -0.05 -1.98 0.08 0.78 -2.96 117.98 117.17 2dm2 s PHE 43 Ca 0.05 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.43 2dm2 s PHE 43 Cb -0.14 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 2dm2 s PHE 43 CO 0.03 -0.22 -0.11 -1.59 -0.10 0.00 0.00 175.22 173.23 2dm2 s LYS 44 N -0.08 1.39 -1.16 0.44 0.00 -0.73 -0.01 119.74 119.60 2dm2 s LYS 44 Ca -0.05 -0.38 -0.02 0.00 0.00 0.00 0.00 55.97 55.52 2dm2 s LYS 44 Cb -0.14 -1.21 0.02 0.00 0.00 0.00 0.00 37.83 36.50 2dm2 s LYS 44 CO 0.04 0.08 0.05 -0.25 0.00 0.00 0.00 175.35 175.27 2dm2 n ASP 45 N 3.55 0.47 -3.16 0.03 8.00 -1.25 0.11 116.55 124.29 2dm2 n ASP 45 Ca -0.21 -0.93 -0.16 0.00 0.71 0.00 0.00 54.79 54.20 2dm2 n ASP 45 Cb 0.53 -1.16 0.08 0.00 -0.02 0.00 0.00 41.12 40.54 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm2 n GLY 46 N -2.02 -0.28 3.16 0.44 0.00 -1.26 -5.03 105.19 100.20 2dm2 n GLY 46 Ca -0.20 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.29 0.72 -0.12 1.61 -0.14 0.30 -5.16 119.74 111.66 2dm2 s LYS 47 Ca 0.05 -0.96 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 2dm2 s LYS 47 Cb -0.02 0.28 -0.04 0.00 -1.68 0.00 0.00 37.83 36.37 2dm2 s LYS 47 CO 0.65 -0.20 0.13 -1.14 -0.76 0.00 0.00 175.35 174.03 2dm2 s GLN 48 N -3.54 3.40 -0.07 1.68 0.74 -1.26 -1.77 119.66 118.84 2dm2 s GLN 48 Ca 0.03 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.28 2dm2 s GLN 48 Cb 0.04 -3.15 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 2dm2 s GLN 48 CO -0.09 0.77 -0.04 0.42 -0.55 0.00 0.00 175.29 175.80 2dm2 s ILE 49 N -1.01 3.93 0.18 -2.34 1.01 -1.16 -4.96 121.20 116.85 2dm2 s ILE 49 Ca 0.15 -0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.25 2dm2 s ILE 49 Cb -0.12 -2.63 -0.07 0.00 0.01 0.00 0.00 42.46 39.64 2dm2 s ILE 49 CO 0.04 0.59 0.58 -0.55 0.00 0.00 0.00 174.94 175.60 2dm2 s SER 50 N -0.89 6.81 0.09 3.58 0.15 -1.26 -4.80 113.70 117.38 2dm2 s SER 50 Ca 0.13 1.10 -0.16 0.00 0.70 0.00 0.00 55.95 57.73 2dm2 s SER 50 Cb -0.11 -2.30 -0.10 0.00 -1.71 0.00 0.00 66.02 61.81 2dm2 s SER 50 CO 0.02 0.05 1.41 1.55 1.20 0.00 0.00 173.24 177.46 2dm2 h PRO 51 N 3.29 0.64 -1.20 5.44 0.13 -1.98 -3.12 132.00 135.19 2dm2 h PRO 51 Ca -0.48 -0.34 -0.36 0.00 -0.87 0.00 0.00 66.00 63.95 2dm2 h PRO 51 Cb 1.19 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2dm2 h PRO 51 CO 0.66 0.94 0.47 1.63 -0.23 0.00 0.00 178.00 181.47 2dm2 n LYS 52 N -4.32 1.89 -2.72 0.86 4.01 -1.26 -4.42 118.16 112.20 2dm2 n LYS 52 Ca -0.04 -1.91 -0.35 0.00 -0.51 0.00 0.00 58.31 55.50 2dm2 n LYS 52 Cb 0.45 -1.75 -0.06 0.00 -0.51 0.00 0.00 35.03 33.17 2dm2 n LYS 52 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2dm2 s SER 53 N -0.36 6.93 -0.13 4.39 0.15 -1.18 -5.00 113.70 118.50 2dm2 s SER 53 Ca 0.37 1.83 -0.16 0.00 0.70 0.00 0.00 55.95 58.69 2dm2 s SER 53 Cb 0.30 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.91 2dm2 s SER 53 CO 0.03 -0.37 0.39 0.44 1.20 0.00 0.00 173.24 174.94 2dm2 h ASP 54 N 2.30 0.00 -0.29 5.45 3.32 -1.92 -3.37 116.42 121.91 2dm2 h ASP 54 Ca -0.48 -0.53 0.07 0.00 0.02 0.00 0.00 57.03 56.11 2dm2 h ASP 54 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 2dm2 h ASP 54 CO 0.62 0.80 -0.26 -0.74 -1.72 0.00 0.00 179.24 177.94 2dm2 h HIS 55 N -1.00 -0.71 -2.63 4.55 2.76 -1.97 -3.42 115.15 112.74 2dm2 h HIS 55 Ca -0.01 0.04 -0.50 0.00 -2.20 0.00 0.00 60.37 57.70 2dm2 h HIS 55 Cb 0.57 0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 2dm2 h HIS 55 CO 0.14 -0.34 -0.34 0.71 -1.30 0.00 0.00 177.93 176.80 2dm2 s TYR 56 N -6.06 3.48 -0.22 5.26 2.02 -1.26 -3.87 117.35 116.70 2dm2 s TYR 56 Ca -0.15 0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2dm2 s TYR 56 Cb 0.13 -1.77 0.07 0.00 -0.40 0.00 0.00 41.96 39.99 2dm2 s TYR 56 CO 0.68 0.35 0.06 0.99 -1.57 0.00 0.00 175.55 176.06 2dm2 s THR 57 N -1.99 0.48 -0.27 -0.71 2.01 -0.44 -4.40 115.64 110.32 2dm2 s THR 57 Ca 0.37 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 2dm2 s THR 57 Cb -0.10 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 2dm2 s THR 57 CO 0.31 -0.35 0.23 -0.63 -0.69 0.00 0.00 174.62 173.49 2dm2 s ILE 58 N 1.86 5.28 -0.04 1.82 1.01 -1.26 -1.20 121.20 128.67 2dm2 s ILE 58 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.95 2dm2 s ILE 58 Cb -0.17 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.76 2dm2 s ILE 58 CO -0.14 0.24 -0.02 -1.10 0.00 0.00 0.00 174.94 173.92 2dm2 s GLN 59 N 1.75 0.54 -0.05 2.79 -0.21 -0.86 -4.99 119.66 118.63 2dm2 s GLN 59 Ca 0.09 0.00 0.04 0.00 0.02 0.00 0.00 55.36 55.51 2dm2 s GLN 59 Cb -0.16 -0.66 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 2dm2 s GLN 59 CO 0.10 -0.12 -0.16 1.03 -2.12 0.00 0.00 175.29 174.02 2dm2 s ARG 60 N 1.03 2.46 0.83 2.91 0.52 -1.26 -1.23 118.95 124.22 2dm2 s ARG 60 Ca -0.10 -0.72 -0.12 0.00 -0.52 0.00 0.00 55.73 54.27 2dm2 s ARG 60 Cb -0.14 -2.34 0.11 0.00 0.52 0.00 0.00 34.95 33.10 2dm2 s ARG 60 CO -0.01 0.61 1.20 0.34 0.02 0.00 0.00 175.30 177.46 2dm2 s ASP 61 N -0.70 4.21 0.36 0.23 2.15 -1.06 -4.85 116.67 117.00 2dm2 s ASP 61 Ca 0.11 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.74 2dm2 s ASP 61 Cb -0.11 -1.02 0.68 0.00 -0.30 0.00 0.00 42.92 42.17 2dm2 s ASP 61 CO 0.00 -2.07 2.02 -0.07 -0.17 0.00 0.00 175.17 174.88 2dm2 h LEU 62 N -1.15 0.68 -1.18 -1.34 3.38 -2.00 -0.72 115.31 112.98 2dm2 h LEU 62 Ca -0.45 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2dm2 h LEU 62 Cb 1.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2dm2 h LEU 62 CO 0.59 0.49 -0.17 0.44 0.09 0.00 0.00 178.44 179.88 2dm2 h ASP 63 N 0.80 0.00 0.00 -0.43 5.19 -2.04 -3.46 116.42 116.48 2dm2 h ASP 63 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2dm2 h ASP 63 Cb -0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2dm2 h ASP 63 CO -0.05 0.17 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 2dm2 n GLY 64 N 0.12 0.95 3.29 2.75 0.00 -0.28 -5.04 105.19 106.99 2dm2 n GLY 64 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.84 4.75 0.35 2.61 2.01 -1.25 -4.08 115.64 118.17 2dm2 s THR 65 Ca 0.00 -1.49 -0.28 0.00 0.31 0.00 0.00 61.69 60.23 2dm2 s THR 65 Cb 0.00 -4.00 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 2dm2 s THR 65 CO 0.00 -0.72 1.28 0.00 -0.69 0.00 0.00 174.62 174.49 2dm2 s SER 67 N -0.60 1.30 -0.22 0.00 1.04 -0.36 -2.30 113.70 112.56 2dm2 s SER 67 Ca 0.51 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 2dm2 s SER 67 Cb -0.38 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2dm2 s SER 67 CO 0.50 -0.31 0.29 -0.22 0.98 0.00 0.00 173.24 174.48 2dm2 s LEU 68 N 2.32 4.14 0.19 2.42 2.96 -0.28 -2.03 118.68 128.40 2dm2 s LEU 68 Ca 0.06 0.33 0.10 0.00 -0.22 0.00 0.00 54.13 54.40 2dm2 s LEU 68 Cb -0.15 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2dm2 s LEU 68 CO -0.11 -0.01 -0.17 -2.28 -1.32 0.00 0.00 176.35 172.46 2dm2 s HIS 69 N 1.16 2.46 -0.19 5.38 5.65 -0.34 -0.51 115.29 128.89 2dm2 s HIS 69 Ca 0.14 -0.29 -0.05 0.00 0.25 0.00 0.00 55.06 55.11 2dm2 s HIS 69 Cb -0.14 -1.20 0.07 0.00 -1.18 0.00 0.00 32.58 30.13 2dm2 s HIS 69 CO 0.06 0.51 0.12 0.99 -0.65 0.00 0.00 174.74 175.77 2dm2 s THR 70 N -1.71 -0.14 0.38 0.89 2.01 -0.65 -1.32 115.64 115.10 2dm2 s THR 70 Ca 0.23 -0.22 0.23 0.00 0.31 0.00 0.00 61.69 62.24 2dm2 s THR 70 Cb -0.08 -0.64 0.23 0.00 0.01 0.00 0.00 72.50 72.02 2dm2 s THR 70 CO 0.12 -0.32 1.99 0.00 -0.69 0.00 0.00 174.62 175.73 2dm2 h THR 71 N 6.40 0.77 -3.08 -0.82 1.03 -1.88 -2.50 112.91 112.83 2dm2 h THR 71 Ca -0.16 -0.75 -0.27 0.00 -0.01 0.00 0.00 66.41 65.22 2dm2 h THR 71 Cb 1.14 1.46 -0.34 0.00 -1.07 0.00 0.00 68.15 69.33 2dm2 h THR 71 CO 0.30 0.18 -0.61 0.00 -0.01 0.00 0.00 175.52 175.39 2dm2 s ALA 72 N -4.18 -0.24 -0.10 0.00 0.00 -1.26 -4.37 121.76 111.60 2dm2 s ALA 72 Ca -0.03 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.59 2dm2 s ALA 72 Cb 0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2dm2 s ALA 72 CO 0.63 -0.49 -0.14 -1.54 0.00 0.00 0.00 175.76 174.22 2dm2 s SER 73 N 2.09 3.97 0.41 0.00 1.04 -1.24 -4.97 113.70 114.99 2dm2 s SER 73 Ca 0.00 -0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.20 2dm2 s SER 73 Cb -0.12 -1.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.56 2dm2 s SER 73 CO -0.06 0.22 0.01 0.42 0.98 0.00 0.00 173.24 174.81 2dm2 s THR 74 N 0.02 1.94 0.26 2.02 -4.23 -1.26 -0.12 115.64 114.27 2dm2 s THR 74 Ca -0.04 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 2dm2 s THR 74 Cb -0.14 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 70.95 2dm2 s THR 74 CO 0.04 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 175.81 2dm2 h LEU 75 N 1.79 0.47 -0.37 4.79 4.07 -1.95 -1.20 115.31 122.91 2dm2 h LEU 75 Ca -0.44 0.09 0.03 0.00 0.08 0.00 0.00 57.88 57.64 2dm2 h LEU 75 Cb 1.24 0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.97 2dm2 h LEU 75 CO 0.80 0.20 0.18 -0.78 -1.08 0.00 0.00 178.44 177.76 2dm2 h ASP 76 N 0.58 0.26 -1.03 -0.43 3.58 -1.98 -2.10 116.42 115.30 2dm2 h ASP 76 Ca 0.44 0.02 0.31 0.00 0.42 0.00 0.00 57.03 58.22 2dm2 h ASP 76 Cb 0.62 -0.03 -0.14 0.00 1.72 0.00 0.00 39.33 41.50 2dm2 h ASP 76 CO -0.36 0.19 0.60 0.44 -2.88 0.00 0.00 179.24 177.23 2dm2 h ASP 77 N 0.37 0.53 -2.53 2.28 5.19 -1.61 -3.41 116.42 117.22 2dm2 h ASP 77 Ca 0.16 0.17 -0.52 0.00 -0.62 0.00 0.00 57.03 56.21 2dm2 h ASP 77 Cb 0.07 0.10 0.23 0.00 0.18 0.00 0.00 39.33 39.91 2dm2 h ASP 77 CO -0.11 -0.07 -1.28 -0.90 -3.12 0.00 0.00 179.24 173.76 2dm2 n ASP 78 N -4.95 -3.33 0.00 6.45 5.75 -0.79 -4.82 116.55 114.86 2dm2 n ASP 78 Ca 0.31 0.16 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 2dm2 n ASP 78 Cb 0.96 -0.96 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 2.38 0.50 2.68 6.12 0.00 -1.26 -4.80 105.19 110.80 2dm2 n GLY 79 Ca 0.02 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 3.79 -0.63 1.61 2.20 -1.26 -3.47 114.94 113.18 2dm2 s ASN 80 Ca 0.00 -1.46 -0.28 0.00 -0.94 0.00 0.00 52.86 50.18 2dm2 s ASN 80 Cb 0.00 -0.70 0.03 0.00 -2.00 0.00 0.00 41.25 38.58 2dm2 s ASN 80 CO 0.00 -0.41 1.27 -0.31 -2.94 0.00 0.00 177.10 174.70 2dm2 s TYR 81 N 1.77 2.44 -0.17 1.54 1.51 -1.21 -3.81 117.35 119.43 2dm2 s TYR 81 Ca 0.08 0.28 -0.10 0.00 -1.01 0.00 0.00 57.07 56.33 2dm2 s TYR 81 Cb -0.17 -4.53 -0.05 0.00 -0.11 0.00 0.00 41.96 37.11 2dm2 s TYR 81 CO -0.27 -1.82 0.17 0.99 -1.11 0.00 0.00 175.55 173.52 2dm2 s THR 82 N 5.44 5.40 -0.24 -0.71 2.01 0.99 -2.60 115.64 125.94 2dm2 s THR 82 Ca 0.42 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.72 2dm2 s THR 82 Cb -0.08 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 68.98 2dm2 s THR 82 CO 0.22 0.48 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.99 2dm2 s ILE 83 N -0.00 2.27 -0.16 1.82 2.07 0.16 -0.15 121.20 127.20 2dm2 s ILE 83 Ca 0.12 -1.33 -0.07 0.00 -1.41 0.00 0.00 60.65 57.96 2dm2 s ILE 83 Cb -0.12 -2.20 -0.04 0.00 0.13 0.00 0.00 42.46 40.24 2dm2 s ILE 83 CO 0.01 0.17 0.07 -0.32 -1.91 0.00 0.00 174.94 172.96 2dm2 s MET 84 N 1.20 3.79 -0.00 3.50 -2.45 -0.94 -3.25 119.30 121.14 2dm2 s MET 84 Ca -0.03 -0.31 0.05 0.00 -1.25 0.00 0.00 55.69 54.15 2dm2 s MET 84 Cb -0.17 -3.17 -0.03 0.00 1.25 0.00 0.00 34.83 32.71 2dm2 s MET 84 CO -0.07 0.41 -0.15 0.00 1.05 0.00 0.00 175.02 176.25 2dm2 s ALA 85 N -0.00 2.67 -0.13 4.11 0.00 -1.07 -2.23 121.76 125.10 2dm2 s ALA 85 Ca 0.06 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2dm2 s ALA 85 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 2dm2 s ALA 85 CO 0.01 0.57 -0.07 0.00 0.00 0.00 0.00 175.76 176.27 2dm2 s ALA 86 N -0.85 2.90 -0.05 0.00 0.00 -1.00 -3.51 121.76 119.24 2dm2 s ALA 86 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 2dm2 s ALA 86 Cb -0.11 -1.41 0.01 0.00 0.00 0.00 0.00 23.12 21.62 2dm2 s ALA 86 CO 0.04 0.29 0.18 1.21 0.00 0.00 0.00 175.76 177.48 2dm2 s ASN 87 N 0.13 -0.14 0.00 0.00 2.47 -1.06 -2.59 114.94 113.75 2dm2 s ASN 87 Ca -0.03 0.23 0.08 0.00 0.42 0.00 0.00 52.86 53.56 2dm2 s ASN 87 Cb -0.14 0.34 0.51 0.00 -1.45 0.00 0.00 41.25 40.51 2dm2 s ASN 87 CO 0.03 -0.15 0.95 -0.81 -3.72 0.00 0.00 177.10 173.40 2dm2 n PRO 88 N 2.55 0.49 0.00 0.43 -0.04 -1.26 -1.84 135.00 135.33 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2dm2 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dm2 n GLN 89 N -0.77 2.54 0.00 0.54 1.13 -1.26 -5.09 117.38 114.46 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 -0.60 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 0.41 3.26 3.01 1.08 0.00 -0.77 -4.04 105.19 108.15 2dm2 n GLY 90 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.04 1.64 0.33 1.61 3.52 -1.26 -2.56 118.95 120.19 2dm2 s ARG 91 Ca 0.00 -0.39 0.08 0.00 -0.13 0.00 0.00 55.73 55.29 2dm2 s ARG 91 Cb 0.00 -1.37 -0.06 0.00 -1.56 0.00 0.00 34.95 31.95 2dm2 s ARG 91 CO 0.00 0.01 -0.06 0.96 -0.81 0.00 0.00 175.30 175.40 2dm2 s ILE 92 N 0.71 1.97 0.09 4.11 -4.36 -1.23 -5.03 121.20 117.46 2dm2 s ILE 92 Ca -0.14 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.01 2dm2 s ILE 92 Cb -0.16 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.92 2dm2 s ILE 92 CO 0.03 -0.19 0.23 -0.94 0.24 0.00 0.00 174.94 174.30 2dm2 s SER 93 N -3.56 0.05 -0.09 4.36 1.04 -1.26 -2.58 113.70 111.65 2dm2 s SER 93 Ca 0.32 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.90 2dm2 s SER 93 Cb 0.04 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.63 2dm2 s SER 93 CO 0.15 -0.73 0.95 0.00 0.98 0.00 0.00 173.24 174.60 2dm2 s THR 95 N -2.08 0.11 0.26 0.00 -1.32 -1.26 -0.67 115.64 110.68 2dm2 s THR 95 Ca 0.02 -1.95 0.01 0.00 -1.21 0.00 0.00 61.69 58.57 2dm2 s THR 95 Cb -0.01 -2.21 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 2dm2 s THR 95 CO -0.03 -0.30 0.12 -0.83 -2.21 0.00 0.00 174.62 171.37 2dm2 s GLY 96 N -3.10 1.78 -0.03 6.08 0.00 -1.07 -4.81 107.32 106.17 2dm2 s GLY 96 Ca 0.29 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 43.28 2dm2 s GLY 96 CO 0.05 -1.56 -0.25 -1.60 0.00 0.00 0.00 173.10 169.75 2dm2 s ARG 97 N -3.99 2.20 0.13 2.90 6.06 -1.26 -3.29 118.95 121.70 2dm2 s ARG 97 Ca 0.37 -0.90 0.09 0.00 -2.50 0.00 0.00 55.73 52.80 2dm2 s ARG 97 Cb 0.07 -2.09 -0.04 0.00 0.06 0.00 0.00 34.95 32.95 2dm2 s ARG 97 CO 0.15 0.55 -0.22 -0.51 -2.50 0.00 0.00 175.30 172.76 2dm2 s LEU 98 N -0.58 2.35 -0.25 -0.88 1.43 -1.23 -4.12 118.68 115.40 2dm2 s LEU 98 Ca 0.09 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.42 2dm2 s LEU 98 Cb -0.10 -1.00 0.07 0.00 0.03 0.00 0.00 46.19 45.19 2dm2 s LEU 98 CO -0.00 0.08 0.02 -0.04 0.23 0.00 0.00 176.35 176.64 2dm2 s MET 99 N -2.21 1.07 -0.14 1.70 -1.94 -1.23 -4.52 119.30 112.04 2dm2 s MET 99 Ca 0.12 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 2dm2 s MET 99 Cb -0.09 -2.32 -0.01 0.00 2.01 0.00 0.00 34.83 34.42 2dm2 s MET 99 CO 0.06 -0.73 -0.14 0.08 -0.01 0.00 0.00 175.02 174.28 2dm2 s VAL 100 N 1.57 2.87 -0.13 -6.03 1.01 -1.25 -1.36 120.40 117.09 2dm2 s VAL 100 Ca 0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2dm2 s VAL 100 Cb -0.18 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2dm2 s VAL 100 CO -0.12 0.52 -0.04 -1.10 0.00 0.00 0.00 175.10 174.36 2dm2 s GLN 101 N 0.53 3.37 -0.29 2.72 -0.21 -1.11 -4.86 119.66 119.81 2dm2 s GLN 101 Ca -0.09 -0.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.49 2dm2 s GLN 101 Cb -0.16 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.01 2dm2 s GLN 101 CO 0.04 0.39 1.92 0.00 -2.12 0.00 0.00 175.29 175.53 2dm2 s ALA 102 N -0.06 2.84 -0.26 6.09 0.00 -1.26 0.52 121.76 129.63 2dm2 s ALA 102 Ca 0.01 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.48 2dm2 s ALA 102 Cb -0.13 -4.03 -0.09 0.00 0.00 0.00 0.00 23.12 18.88 2dm2 s ALA 102 CO 0.03 -2.65 0.27 1.55 0.00 0.00 0.00 175.76 174.95 2dm2 n VAL 103 N 7.50 0.00 -4.00 0.00 3.14 -1.26 -4.91 118.33 118.80 2dm2 n VAL 103 Ca 0.25 -0.29 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 2dm2 n VAL 103 Cb 0.46 0.84 -0.11 0.00 -1.06 0.00 0.00 33.84 33.97 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 -1.95 0.28 -0.04 6.55 2.20 -1.26 -5.04 114.94 115.68 2dm2 s ASN 104 Ca 0.01 -0.58 -0.01 0.00 -0.94 0.00 0.00 52.86 51.34 2dm2 s ASN 104 Cb 0.05 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.39 2dm2 s ASN 104 CO 0.29 -0.36 0.04 -0.44 -2.94 0.00 0.00 177.10 173.69 2dm2 s SER 105 N -1.74 5.42 1.17 3.54 0.01 -1.26 -5.08 113.70 115.77 2dm2 s SER 105 Ca -0.12 0.12 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 2dm2 s SER 105 Cb -0.06 -1.52 0.20 0.00 0.21 0.00 0.00 66.02 64.85 2dm2 s SER 105 CO -0.03 0.32 0.43 0.61 0.41 0.00 0.00 173.24 174.98 2dm2 n GLY 106 N 1.60 -2.52 0.25 3.44 0.00 -1.26 -4.93 105.19 101.78 2dm2 n GLY 106 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.50 0.89 -5.67 1.61 0.13 -1.99 -3.43 132.00 121.04 2dm2 h PRO 107 Ca -0.54 -0.47 -0.59 0.00 -0.87 0.00 0.00 66.00 63.53 2dm2 h PRO 107 Cb 1.31 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 2dm2 h PRO 107 CO 0.39 1.11 0.05 -1.54 -0.23 0.00 0.00 178.00 177.79 2dm2 s SER 108 N -6.77 6.68 -0.83 1.44 1.04 -1.26 -4.95 113.70 109.05 2dm2 s SER 108 Ca -0.11 0.82 -0.24 0.00 0.48 0.00 0.00 55.95 56.89 2dm2 s SER 108 Cb 0.11 -2.33 -0.19 0.00 0.10 0.00 0.00 66.02 63.70 2dm2 s SER 108 CO 0.87 -0.21 2.46 -1.54 0.98 0.00 0.00 173.24 175.80 2dm2 n SER 109 N 4.75 0.70 0.00 7.02 3.41 -1.26 -5.17 113.62 123.08 2dm2 n SER 109 Ca -0.03 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 2dm2 n SER 109 Cb 0.50 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2dm2 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49