#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm2 s SER 2 N 0.00 4.60 0.00 1.61 0.01 -1.26 -5.06 113.70 113.60 2dm2 s SER 2 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2dm2 s SER 2 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2dm2 s SER 2 CO 0.00 -0.71 0.00 -1.54 0.41 0.00 0.00 173.24 171.40 2dm2 n SER 3 N -1.43 4.40 -0.28 2.44 3.41 -1.26 -4.74 113.62 116.16 2dm2 n SER 3 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.66 2dm2 n SER 3 Cb 0.64 0.79 0.20 0.00 -0.26 0.00 0.00 64.21 65.58 2dm2 n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2dm2 h GLY 4 N 0.00 1.29 -5.51 5.00 0.00 -2.04 -3.41 103.07 98.40 2dm2 h GLY 4 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 47.33 46.75 2dm2 h GLY 4 CO 0.00 -0.01 -0.76 -1.35 0.00 0.00 0.00 176.54 174.42 2dm2 s SER 5 N -5.45 0.68 0.04 0.19 1.04 -1.26 -5.15 113.70 103.78 2dm2 s SER 5 Ca -0.12 -0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.29 2dm2 s SER 5 Cb 0.21 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2dm2 s SER 5 CO 0.78 0.04 -0.22 -0.44 0.98 0.00 0.00 173.24 174.38 2dm2 s SER 6 N 0.06 3.54 0.00 7.02 0.01 -1.26 -4.84 113.70 118.22 2dm2 s SER 6 Ca -0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2dm2 s SER 6 Cb -0.04 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2dm2 s SER 6 CO -0.00 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dm2 n GLY 7 N 1.66 0.00 3.69 3.44 0.00 -1.26 -5.10 105.19 107.62 2dm2 n GLY 7 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 1.75 0.61 4.61 0.00 -1.26 -3.65 121.76 123.83 2dm2 s ALA 8 Ca 0.00 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 2dm2 s ALA 8 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2dm2 s ALA 8 CO 0.00 -2.41 1.12 -1.25 0.00 0.00 0.00 175.76 173.22 2dm2 s PRO 9 N -4.22 3.02 -0.21 0.00 0.04 -1.25 -4.13 135.00 128.24 2dm2 s PRO 9 Ca 0.72 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 2dm2 s PRO 9 Cb -0.28 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.35 2dm2 s PRO 9 CO 0.52 -1.09 0.52 -0.59 0.04 0.00 0.00 177.00 176.40 2dm2 s PHE 10 N -2.13 -0.75 -0.53 0.56 -0.12 -1.22 -4.71 117.98 109.08 2dm2 s PHE 10 Ca 0.69 1.58 -0.28 0.00 -0.05 0.00 0.00 56.93 58.87 2dm2 s PHE 10 Cb -0.22 0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.56 2dm2 s PHE 10 CO 0.36 -0.39 1.45 -0.06 -0.05 0.00 0.00 175.22 176.53 2dm2 s PHE 11 N 1.28 2.25 0.08 3.49 0.08 -1.26 -1.92 117.98 121.97 2dm2 s PHE 11 Ca -0.08 0.52 0.21 0.00 0.12 0.00 0.00 56.93 57.70 2dm2 s PHE 11 Cb -0.06 -4.35 0.67 0.00 -0.57 0.00 0.00 43.02 38.70 2dm2 s PHE 11 CO -0.13 -2.03 1.72 0.93 -0.10 0.00 0.00 175.22 175.61 2dm2 h GLU 12 N 11.30 0.00 -3.19 0.44 5.08 -1.45 -3.43 114.58 123.31 2dm2 h GLU 12 Ca -0.27 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.85 2dm2 h GLU 12 Cb 1.10 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.03 2dm2 h GLU 12 CO 1.16 0.32 -0.58 1.41 -1.00 0.00 0.00 179.01 180.32 2dm2 s MET 13 N -3.50 0.11 0.88 2.33 0.00 -1.25 -4.96 119.30 112.91 2dm2 s MET 13 Ca 0.01 0.42 -0.12 0.00 0.00 0.00 0.00 55.69 56.01 2dm2 s MET 13 Cb 0.10 -0.17 0.16 0.00 0.00 0.00 0.00 34.83 34.92 2dm2 s MET 13 CO 0.67 -0.18 1.22 0.15 0.00 0.00 0.00 175.02 176.88 2dm2 s LYS 14 N 1.29 1.12 -0.04 4.11 -0.14 -1.26 -3.92 119.74 120.90 2dm2 s LYS 14 Ca -0.08 -0.49 -0.13 0.00 -1.36 0.00 0.00 55.97 53.91 2dm2 s LYS 14 Cb -0.11 -1.98 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 2dm2 s LYS 14 CO -0.06 -2.04 0.33 -0.51 -0.76 0.00 0.00 175.35 172.31 2dm2 s LEU 15 N -5.65 4.45 0.65 3.17 1.43 -1.26 -4.89 118.68 116.57 2dm2 s LEU 15 Ca 0.70 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2dm2 s LEU 15 Cb -0.05 -2.44 0.10 0.00 0.03 0.00 0.00 46.19 43.82 2dm2 s LEU 15 CO 0.50 0.34 0.89 -0.75 0.23 0.00 0.00 176.35 177.57 2dm2 s LYS 16 N -1.03 1.99 -0.15 1.70 2.20 -1.26 -4.81 119.74 118.38 2dm2 s LYS 16 Ca 0.21 -1.26 -0.07 0.00 -0.36 0.00 0.00 55.97 54.49 2dm2 s LYS 16 Cb -0.15 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 2dm2 s LYS 16 CO 0.11 -1.15 0.09 -1.01 -0.36 0.00 0.00 175.35 173.02 2dm2 s HIS 17 N -2.93 3.37 -0.00 4.03 3.76 -1.26 -4.50 115.29 117.76 2dm2 s HIS 17 Ca 0.64 0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 2dm2 s HIS 17 Cb -0.06 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 2dm2 s HIS 17 CO 0.42 0.40 -0.07 0.71 -0.85 0.00 0.00 174.74 175.35 2dm2 s TYR 18 N -0.23 0.63 -0.22 1.40 2.02 -1.26 -5.06 117.35 114.62 2dm2 s TYR 18 Ca 0.09 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 2dm2 s TYR 18 Cb -0.12 -0.40 0.02 0.00 -0.40 0.00 0.00 41.96 41.06 2dm2 s TYR 18 CO 0.01 -0.01 -0.10 0.21 -1.57 0.00 0.00 175.55 174.08 2dm2 s LYS 19 N -0.25 2.94 0.43 -0.62 2.20 -1.26 -1.81 119.74 121.37 2dm2 s LYS 19 Ca 0.02 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 2dm2 s LYS 19 Cb -0.03 -2.85 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2dm2 s LYS 19 CO -0.00 -0.31 0.10 0.44 -0.36 0.00 0.00 175.35 175.21 2dm2 n ILE 20 N 4.66 0.00 -3.95 5.43 -5.35 -0.24 -5.01 119.36 114.90 2dm2 n ILE 20 Ca -0.18 -2.33 -0.30 0.00 -0.27 0.00 0.00 62.75 59.68 2dm2 n ILE 20 Cb 0.48 0.72 -0.04 0.00 -1.74 0.00 0.00 39.64 39.06 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 -2.96 3.45 0.17 4.28 0.40 -1.26 -0.31 117.98 121.74 2dm2 s PHE 21 Ca 0.14 0.19 -0.34 0.00 -0.60 0.00 0.00 56.93 56.32 2dm2 s PHE 21 Cb 0.01 -1.71 -0.15 0.00 0.51 0.00 0.00 43.02 41.68 2dm2 s PHE 21 CO 0.10 0.56 1.33 -1.91 0.70 0.00 0.00 175.22 176.00 2dm2 n GLU 22 N 0.09 1.53 0.00 0.44 0.00 0.12 -0.83 120.64 121.99 2dm2 n GLU 22 Ca -0.06 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.65 2dm2 n GLU 22 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 31.44 29.80 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 2.40 3.07 3.76 8.31 0.00 -0.24 -4.71 105.19 117.78 2dm2 n GLY 23 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.30 4.50 0.63 1.61 -1.94 -0.01 -4.30 119.30 119.48 2dm2 s MET 24 Ca 0.00 1.96 -0.16 0.00 -1.71 0.00 0.00 55.69 55.78 2dm2 s MET 24 Cb 0.00 -3.11 -0.02 0.00 2.01 0.00 0.00 34.83 33.71 2dm2 s MET 24 CO 0.00 0.03 1.11 -1.25 -0.01 0.00 0.00 175.02 174.91 2dm2 s PRO 25 N -1.63 2.96 0.05 2.03 0.04 -1.26 -3.53 135.00 133.66 2dm2 s PRO 25 Ca 0.47 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.97 2dm2 s PRO 25 Cb -0.35 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2dm2 s PRO 25 CO 0.45 -1.13 -0.07 0.54 0.04 0.00 0.00 177.00 176.83 2dm2 s VAL 26 N -2.18 0.48 0.04 -0.36 0.11 -0.97 -4.97 120.40 112.54 2dm2 s VAL 26 Ca 0.68 -1.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2dm2 s VAL 26 Cb -0.21 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2dm2 s VAL 26 CO 0.37 -0.50 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.68 2dm2 s THR 27 N -1.82 0.56 -0.24 5.04 2.01 -1.26 -0.73 115.64 119.20 2dm2 s THR 27 Ca -0.07 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 2dm2 s THR 27 Cb -0.07 -0.61 0.08 0.00 0.01 0.00 0.00 72.50 71.91 2dm2 s THR 27 CO -0.01 -0.33 0.09 -0.36 -0.69 0.00 0.00 174.62 173.33 2dm2 s PHE 28 N -1.26 0.61 -0.10 4.92 0.08 0.14 -4.96 117.98 117.41 2dm2 s PHE 28 Ca -0.08 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.00 2dm2 s PHE 28 Cb -0.09 -0.97 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 2dm2 s PHE 28 CO 0.00 -0.70 0.35 0.99 -0.10 0.00 0.00 175.22 175.77 2dm2 s THR 29 N 2.00 5.22 -0.13 0.64 2.01 -1.26 -1.12 115.64 123.00 2dm2 s THR 29 Ca 0.05 0.69 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 2dm2 s THR 29 Cb -0.16 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.71 2dm2 s THR 29 CO -0.21 0.45 0.34 0.00 -0.69 0.00 0.00 174.62 174.51 2dm2 s ARG 31 N 0.32 3.23 -0.10 0.00 0.52 -1.25 -2.96 118.95 118.70 2dm2 s ARG 31 Ca -0.01 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2dm2 s ARG 31 Cb -0.03 -3.94 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 2dm2 s ARG 31 CO -0.01 -0.87 0.08 0.08 0.02 0.00 0.00 175.30 174.60 2dm2 s VAL 32 N 2.37 4.94 0.52 3.52 1.01 -1.25 -1.03 120.40 130.48 2dm2 s VAL 32 Ca 0.16 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2dm2 s VAL 32 Cb -0.16 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.11 2dm2 s VAL 32 CO 0.15 0.61 0.30 0.00 0.00 0.00 0.00 175.10 176.16 2dm2 s ALA 33 N -0.97 4.26 0.00 5.51 0.00 -0.81 -4.77 121.76 124.98 2dm2 s ALA 33 Ca 0.14 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2dm2 s ALA 33 Cb -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2dm2 s ALA 33 CO 0.03 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2dm2 n GLY 34 N -1.60 2.12 3.29 0.00 0.00 -1.26 -3.44 105.19 104.30 2dm2 n GLY 34 Ca -0.05 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.07 -0.19 1.14 1.61 2.20 -1.24 -4.49 114.94 113.91 2dm2 s ASN 35 Ca 0.00 -0.22 -0.17 0.00 -0.94 0.00 0.00 52.86 51.53 2dm2 s ASN 35 Cb 0.00 0.41 0.26 0.00 -2.00 0.00 0.00 41.25 39.92 2dm2 s ASN 35 CO 0.00 -0.72 1.10 -2.16 -2.94 0.00 0.00 177.10 172.39 2dm2 s PRO 36 N -3.06 -0.71 -0.77 3.55 0.04 -1.26 -4.79 135.00 128.00 2dm2 s PRO 36 Ca -0.02 0.12 -0.23 0.00 0.04 0.00 0.00 61.00 60.91 2dm2 s PRO 36 Cb 0.01 -1.64 -0.17 0.00 0.04 0.00 0.00 34.50 32.73 2dm2 s PRO 36 CO -0.07 -3.41 2.06 1.17 0.04 0.00 0.00 177.00 176.80 2dm2 n LYS 37 N -4.58 0.00 -2.25 4.56 4.81 -1.26 -4.81 118.16 114.62 2dm2 n LYS 37 Ca 0.10 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.15 2dm2 n LYS 37 Cb 0.59 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.47 2dm2 n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2dm2 s PRO 38 N 6.86 4.29 -0.01 1.64 0.04 -1.26 -4.97 135.00 141.60 2dm2 s PRO 38 Ca 1.04 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.78 2dm2 s PRO 38 Cb -0.96 -2.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 2dm2 s PRO 38 CO 0.38 -0.16 1.47 0.15 0.04 0.00 0.00 177.00 178.88 2dm2 s LYS 39 N -1.91 4.25 -0.07 4.56 -0.14 -0.82 -4.66 119.74 120.95 2dm2 s LYS 39 Ca 0.51 2.04 -0.18 0.00 -1.36 0.00 0.00 55.97 56.97 2dm2 s LYS 39 Cb -0.35 -3.67 -0.05 0.00 -1.68 0.00 0.00 37.83 32.08 2dm2 s LYS 39 CO 0.45 -0.66 0.50 0.42 -0.76 0.00 0.00 175.35 175.30 2dm2 s ILE 40 N 2.84 5.08 -0.10 2.17 -1.09 -1.26 -0.27 121.20 128.57 2dm2 s ILE 40 Ca 0.66 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 2dm2 s ILE 40 Cb -0.32 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 36.74 2dm2 s ILE 40 CO 0.27 0.39 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.97 2dm2 s TYR 41 N 0.14 1.48 -0.23 3.97 2.02 -0.11 -4.99 117.35 119.62 2dm2 s TYR 41 Ca 0.27 -0.70 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 2dm2 s TYR 41 Cb -0.16 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.16 2dm2 s TYR 41 CO 0.13 -0.46 0.13 -1.58 -1.57 0.00 0.00 175.55 172.20 2dm2 s TRP 42 N 1.46 3.25 -0.18 2.71 0.52 -1.26 -0.11 118.94 125.34 2dm2 s TRP 42 Ca 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 56.10 56.16 2dm2 s TRP 42 Cb -0.13 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 2dm2 s TRP 42 CO -0.06 -0.01 -0.02 -0.06 0.02 0.00 0.00 176.95 176.82 2dm2 s PHE 43 N 1.10 3.02 -0.43 -1.98 0.08 0.91 -2.36 117.98 118.32 2dm2 s PHE 43 Ca 0.06 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.62 2dm2 s PHE 43 Cb -0.14 -2.02 0.11 0.00 -0.57 0.00 0.00 43.02 40.40 2dm2 s PHE 43 CO 0.04 -0.18 0.26 0.21 -0.10 0.00 0.00 175.22 175.45 2dm2 s LYS 44 N 0.75 2.22 -1.41 0.44 2.36 0.53 -0.63 119.74 124.00 2dm2 s LYS 44 Ca -0.01 -1.77 -0.11 0.00 -2.55 0.00 0.00 55.97 51.53 2dm2 s LYS 44 Cb -0.14 -3.72 0.08 0.00 -1.05 0.00 0.00 37.83 33.00 2dm2 s LYS 44 CO 0.02 -1.11 0.63 -0.25 1.55 0.00 0.00 175.35 176.20 2dm2 n ASP 45 N 4.73 -4.20 -0.01 1.43 8.00 -1.12 -1.02 116.55 124.36 2dm2 n ASP 45 Ca -0.05 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.94 2dm2 n ASP 45 Cb 0.41 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 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 -1.34 0.91 3.05 0.44 0.00 -1.26 -5.08 105.19 101.92 2dm2 n GLY 46 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.01 1.20 0.12 1.61 1.02 -0.19 -5.13 119.74 115.36 2dm2 s LYS 47 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 2dm2 s LYS 47 Cb 0.00 -1.10 -0.06 0.00 -0.52 0.00 0.00 37.83 36.15 2dm2 s LYS 47 CO 0.00 0.18 1.04 -1.14 -0.92 0.00 0.00 175.35 174.51 2dm2 s GLN 48 N 0.05 4.61 -0.37 1.68 0.74 -1.26 -0.35 119.66 124.77 2dm2 s GLN 48 Ca -0.02 1.58 -0.06 0.00 0.05 0.00 0.00 55.36 56.91 2dm2 s GLN 48 Cb -0.09 -3.35 0.06 0.00 1.10 0.00 0.00 33.01 30.74 2dm2 s GLN 48 CO 0.01 0.08 0.16 0.42 -0.55 0.00 0.00 175.29 175.40 2dm2 s ILE 49 N 0.15 3.79 0.38 -2.34 1.01 -0.99 -4.93 121.20 118.26 2dm2 s ILE 49 Ca 0.50 -1.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.53 2dm2 s ILE 49 Cb -0.26 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 38.86 2dm2 s ILE 49 CO 0.31 -0.35 1.15 -0.55 0.00 0.00 0.00 174.94 175.51 2dm2 s SER 50 N 1.67 6.67 0.28 3.58 0.15 -1.26 -4.61 113.70 120.18 2dm2 s SER 50 Ca 0.01 2.31 0.06 0.00 0.70 0.00 0.00 55.95 59.03 2dm2 s SER 50 Cb -0.21 -2.61 0.40 0.00 -1.71 0.00 0.00 66.02 61.89 2dm2 s SER 50 CO 0.01 -0.57 1.66 1.55 1.20 0.00 0.00 173.24 177.09 2dm2 h PRO 51 N 2.81 0.24 0.00 5.44 0.13 -1.97 -2.77 132.00 135.88 2dm2 h PRO 51 Ca -0.48 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2dm2 h PRO 51 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dm2 h PRO 51 CO 0.63 0.66 0.00 0.87 -0.23 0.00 0.00 178.00 179.93 2dm2 h LYS 52 N 0.19 0.00 -5.48 0.86 1.57 -1.92 -3.41 116.57 108.37 2dm2 h LYS 52 Ca 0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.44 2dm2 h LYS 52 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2dm2 h LYS 52 CO 0.07 0.00 1.27 0.45 -0.57 0.00 0.00 179.45 180.67 2dm2 n SER 53 N -2.71 1.94 -0.31 0.86 2.88 -1.05 -4.77 113.62 110.47 2dm2 n SER 53 Ca 0.03 -0.70 0.29 0.00 -1.33 0.00 0.00 58.87 57.16 2dm2 n SER 53 Cb 0.38 -1.53 0.52 0.00 -0.75 0.00 0.00 64.21 62.83 2dm2 n SER 53 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dm2 n ASP 54 N 15.98 0.24 -0.08 -3.46 2.03 -1.26 0.11 116.55 130.11 2dm2 n ASP 54 Ca 0.42 1.28 -0.07 0.00 0.52 0.00 0.00 54.79 56.95 2dm2 n ASP 54 Cb 0.47 -0.63 -0.00 0.00 -0.72 0.00 0.00 41.12 40.24 2dm2 n ASP 54 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2dm2 h HIS 55 N 0.00 -0.43 -3.33 -0.67 2.76 -1.94 -3.42 115.15 108.12 2dm2 h HIS 55 Ca 0.71 0.04 -0.66 0.00 -2.20 0.00 0.00 60.37 58.26 2dm2 h HIS 55 Cb 2.05 0.24 -0.12 0.00 1.55 0.00 0.00 27.41 31.13 2dm2 h HIS 55 CO -0.01 -0.25 -0.64 0.71 -1.30 0.00 0.00 177.93 176.44 2dm2 s TYR 56 N -6.15 3.07 -0.19 5.26 2.02 0.30 -3.07 117.35 118.58 2dm2 s TYR 56 Ca -0.14 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 2dm2 s TYR 56 Cb 0.13 -1.62 0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2dm2 s TYR 56 CO 0.69 0.48 -0.00 0.99 -1.57 0.00 0.00 175.55 176.14 2dm2 s THR 57 N -1.19 0.86 -0.49 -0.71 2.01 0.27 -4.37 115.64 112.01 2dm2 s THR 57 Ca 0.23 -0.69 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 2dm2 s THR 57 Cb -0.12 -1.23 0.13 0.00 0.01 0.00 0.00 72.50 71.29 2dm2 s THR 57 CO 0.14 -0.10 0.36 -0.63 -0.69 0.00 0.00 174.62 173.71 2dm2 s ILE 58 N 1.71 4.20 0.22 1.82 1.01 -1.26 0.12 121.20 129.02 2dm2 s ILE 58 Ca -0.02 -1.91 -0.10 0.00 0.00 0.00 0.00 60.65 58.63 2dm2 s ILE 58 Cb -0.17 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.47 2dm2 s ILE 58 CO -0.07 -0.79 0.54 -1.10 0.00 0.00 0.00 174.94 173.52 2dm2 s GLN 59 N 1.21 3.80 -0.09 2.79 1.11 -0.73 -4.96 119.66 122.80 2dm2 s GLN 59 Ca 0.07 0.27 -0.00 0.00 0.01 0.00 0.00 55.36 55.71 2dm2 s GLN 59 Cb -0.25 -2.68 0.02 0.00 -1.01 0.00 0.00 33.01 29.10 2dm2 s GLN 59 CO -0.01 0.34 -0.07 -0.98 0.01 0.00 0.00 175.29 174.57 2dm2 s ARG 60 N -2.75 1.37 0.62 2.91 1.70 -1.26 -2.44 118.95 119.10 2dm2 s ARG 60 Ca 0.46 -0.22 -0.04 0.00 -0.47 0.00 0.00 55.73 55.47 2dm2 s ARG 60 Cb -0.11 -1.41 0.03 0.00 -0.57 0.00 0.00 34.95 32.88 2dm2 s ARG 60 CO 0.21 -0.21 0.90 -0.51 -1.08 0.00 0.00 175.30 174.61 2dm2 s ASP 61 N 1.52 5.23 0.01 -2.89 1.11 -0.96 -4.99 116.67 115.70 2dm2 s ASP 61 Ca 0.01 0.43 -0.15 0.00 0.18 0.00 0.00 52.55 53.02 2dm2 s ASP 61 Cb -0.13 -1.28 -0.08 0.00 1.07 0.00 0.00 42.92 42.50 2dm2 s ASP 61 CO -0.05 -1.27 1.00 -0.07 1.18 0.00 0.00 175.17 175.96 2dm2 h LEU 62 N -0.25 -0.45 -0.75 1.23 3.38 -2.01 -3.10 115.31 113.37 2dm2 h LEU 62 Ca -0.44 0.02 0.29 0.00 0.09 0.00 0.00 57.88 57.83 2dm2 h LEU 62 Cb 1.29 0.12 -0.14 0.00 0.09 0.00 0.00 40.66 42.02 2dm2 h LEU 62 CO 0.59 -0.26 0.31 0.47 0.09 0.00 0.00 178.44 179.63 2dm2 n ASP 63 N -3.72 0.18 0.00 -0.43 8.00 -1.26 -4.67 116.55 114.65 2dm2 n ASP 63 Ca -0.07 1.24 0.00 0.00 0.71 0.00 0.00 54.79 56.68 2dm2 n ASP 63 Cb 0.21 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.24 1.17 3.36 0.44 0.00 -1.17 -5.13 105.19 102.62 2dm2 n GLY 64 Ca 0.26 0.00 -0.37 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 -1.65 3.94 0.13 2.61 2.01 -1.26 -3.91 115.64 117.51 2dm2 s THR 65 Ca 0.00 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 2dm2 s THR 65 Cb 0.00 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2dm2 s THR 65 CO 0.00 0.17 0.36 0.00 -0.69 0.00 0.00 174.62 174.46 2dm2 s SER 67 N -2.37 -0.45 -0.05 0.00 0.01 -1.02 -2.30 113.70 107.51 2dm2 s SER 67 Ca 0.40 0.77 0.02 0.00 1.31 0.00 0.00 55.95 58.44 2dm2 s SER 67 Cb -0.12 0.80 -0.03 0.00 0.21 0.00 0.00 66.02 66.88 2dm2 s SER 67 CO 0.24 -0.26 -0.09 -0.22 0.41 0.00 0.00 173.24 173.32 2dm2 s LEU 68 N -0.19 3.06 -0.02 2.44 2.96 -0.27 -1.77 118.68 124.89 2dm2 s LEU 68 Ca -0.04 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2dm2 s LEU 68 Cb -0.03 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.00 2dm2 s LEU 68 CO 0.02 0.35 -0.01 -2.28 -1.32 0.00 0.00 176.35 173.11 2dm2 s HIS 69 N -0.82 0.36 -0.35 5.38 5.65 0.12 0.24 115.29 125.87 2dm2 s HIS 69 Ca 0.13 -0.04 0.01 0.00 0.25 0.00 0.00 55.06 55.41 2dm2 s HIS 69 Cb -0.11 -0.38 0.10 0.00 -1.18 0.00 0.00 32.58 31.00 2dm2 s HIS 69 CO 0.02 -0.10 0.09 0.99 -0.65 0.00 0.00 174.74 175.08 2dm2 s THR 70 N 0.71 2.68 0.46 0.89 2.01 0.09 0.94 115.64 123.42 2dm2 s THR 70 Ca -0.07 -2.11 0.24 0.00 0.31 0.00 0.00 61.69 60.06 2dm2 s THR 70 Cb -0.11 -2.86 0.43 0.00 0.01 0.00 0.00 72.50 69.98 2dm2 s THR 70 CO -0.01 -0.54 1.83 0.00 -0.69 0.00 0.00 174.62 175.21 2dm2 h THR 71 N 6.52 0.57 -3.41 -0.82 1.03 -1.81 -2.58 112.91 112.42 2dm2 h THR 71 Ca -0.10 -0.08 -0.39 0.00 -0.01 0.00 0.00 66.41 65.83 2dm2 h THR 71 Cb 1.03 0.30 -0.35 0.00 -1.07 0.00 0.00 68.15 68.07 2dm2 h THR 71 CO 0.58 0.04 -0.76 0.00 -0.01 0.00 0.00 175.52 175.37 2dm2 s ALA 72 N -5.26 0.53 -0.22 0.00 0.00 -1.26 -4.05 121.76 111.51 2dm2 s ALA 72 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 2dm2 s ALA 72 Cb 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2dm2 s ALA 72 CO 0.79 -0.19 -0.07 -1.54 0.00 0.00 0.00 175.76 174.74 2dm2 s SER 73 N 1.32 4.09 0.23 0.00 1.04 -1.23 -4.95 113.70 114.20 2dm2 s SER 73 Ca -0.05 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 55.91 2dm2 s SER 73 Cb -0.13 -1.68 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2dm2 s SER 73 CO -0.02 -0.04 0.19 0.42 0.98 0.00 0.00 173.24 174.77 2dm2 s THR 74 N 1.42 4.50 0.57 2.02 -4.23 -1.26 -1.08 115.64 117.58 2dm2 s THR 74 Ca 0.05 -1.32 0.28 0.00 -1.18 0.00 0.00 61.69 59.52 2dm2 s THR 74 Cb -0.14 -3.40 0.38 0.00 1.34 0.00 0.00 72.50 70.68 2dm2 s THR 74 CO -0.05 -0.30 1.98 -0.07 -0.54 0.00 0.00 174.62 175.64 2dm2 h LEU 75 N 1.67 0.00 -0.27 4.79 -0.00 -1.96 0.25 115.31 119.79 2dm2 h LEU 75 Ca -0.48 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.20 2dm2 h LEU 75 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2dm2 h LEU 75 CO 0.61 0.00 -0.88 0.44 -0.00 0.00 0.00 178.44 178.61 2dm2 h ASP 76 N 0.00 0.11 -0.68 -0.43 3.32 -1.97 -3.25 116.42 113.51 2dm2 h ASP 76 Ca 0.20 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2dm2 h ASP 76 Cb 0.95 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 2dm2 h ASP 76 CO -0.00 0.94 0.40 0.44 -1.72 0.00 0.00 179.24 179.30 2dm2 h ASP 77 N 0.04 0.83 -2.45 6.45 5.19 -0.89 -3.44 116.42 122.15 2dm2 h ASP 77 Ca -0.03 -0.07 -0.54 0.00 -0.62 0.00 0.00 57.03 55.78 2dm2 h ASP 77 Cb 1.53 -0.21 0.23 0.00 0.18 0.00 0.00 39.33 41.07 2dm2 h ASP 77 CO 0.12 0.66 -1.43 -0.90 -3.12 0.00 0.00 179.24 174.56 2dm2 n ASP 78 N -4.54 -4.38 0.00 6.45 5.75 -1.15 -4.77 116.55 113.91 2dm2 n ASP 78 Ca 0.06 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2dm2 n ASP 78 Cb 0.06 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 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 2.75 0.59 2.88 6.12 0.00 -1.26 -4.97 105.19 111.30 2dm2 n GLY 79 Ca 0.01 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 2dm2 n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm2 s ASN 80 N -4.00 2.93 -0.54 1.61 -0.87 -1.26 -3.13 114.94 109.68 2dm2 s ASN 80 Ca 0.00 -0.72 -0.18 0.00 -1.57 0.00 0.00 52.86 50.39 2dm2 s ASN 80 Cb 0.00 -0.92 0.09 0.00 -0.02 0.00 0.00 41.25 40.40 2dm2 s ASN 80 CO 0.00 -0.20 0.62 -0.31 -2.57 0.00 0.00 177.10 174.64 2dm2 s TYR 81 N 1.62 3.07 -0.46 2.20 1.51 0.05 -2.80 117.35 122.55 2dm2 s TYR 81 Ca -0.00 -0.85 -0.17 0.00 -1.01 0.00 0.00 57.07 55.04 2dm2 s TYR 81 Cb -0.16 -3.72 0.05 0.00 -0.11 0.00 0.00 41.96 38.02 2dm2 s TYR 81 CO -0.08 -1.11 0.45 0.99 -1.11 0.00 0.00 175.55 174.70 2dm2 s THR 82 N 2.42 5.10 -0.38 -0.71 2.01 0.20 -2.50 115.64 121.78 2dm2 s THR 82 Ca 0.11 -0.65 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 2dm2 s THR 82 Cb -0.23 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.16 2dm2 s THR 82 CO 0.08 -0.55 0.34 -0.51 -0.69 0.00 0.00 174.62 173.29 2dm2 s ILE 83 N 2.05 5.19 -0.13 1.82 2.07 -1.22 -0.06 121.20 130.93 2dm2 s ILE 83 Ca 0.09 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.02 2dm2 s ILE 83 Cb -0.20 -3.89 -0.02 0.00 0.13 0.00 0.00 42.46 38.48 2dm2 s ILE 83 CO 0.11 -0.22 -0.08 -0.32 -1.91 0.00 0.00 174.94 172.52 2dm2 s MET 84 N 1.90 3.35 0.00 3.50 -2.45 0.85 -1.62 119.30 124.84 2dm2 s MET 84 Ca 0.09 -0.58 -0.06 0.00 -1.25 0.00 0.00 55.69 53.89 2dm2 s MET 84 Cb -0.17 -2.74 -0.05 0.00 1.25 0.00 0.00 34.83 33.12 2dm2 s MET 84 CO 0.12 0.34 0.25 0.00 1.05 0.00 0.00 175.02 176.77 2dm2 s ALA 85 N 0.07 3.86 -0.17 4.11 0.00 -0.49 -0.94 121.76 128.21 2dm2 s ALA 85 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2dm2 s ALA 85 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2dm2 s ALA 85 CO 0.03 0.66 -0.03 0.00 0.00 0.00 0.00 175.76 176.42 2dm2 s ALA 86 N -1.30 2.97 -0.06 0.00 0.00 0.62 -3.07 121.76 120.91 2dm2 s ALA 86 Ca 0.27 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 2dm2 s ALA 86 Cb -0.13 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2dm2 s ALA 86 CO 0.16 0.08 0.22 1.21 0.00 0.00 0.00 175.76 177.43 2dm2 s ASN 87 N 0.60 -0.18 0.00 0.00 3.04 -1.19 -1.94 114.94 115.27 2dm2 s ASN 87 Ca -0.02 0.28 0.09 0.00 0.04 0.00 0.00 52.86 53.25 2dm2 s ASN 87 Cb -0.14 0.40 0.52 0.00 -1.54 0.00 0.00 41.25 40.48 2dm2 s ASN 87 CO 0.02 -0.18 0.97 -0.81 -3.04 0.00 0.00 177.10 174.06 2dm2 n PRO 88 N 2.47 0.49 0.00 0.43 -0.04 -1.26 -1.88 135.00 135.21 2dm2 n PRO 88 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2dm2 n PRO 88 Cb 0.58 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.78 2.70 0.00 0.54 6.02 -1.26 -4.10 117.38 120.50 2dm2 n GLN 89 Ca 0.07 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2dm2 n GLN 89 Cb 0.03 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 30.74 2dm2 n GLN 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dm2 n GLY 90 N 0.43 3.96 3.17 1.08 0.00 -0.79 -4.30 105.19 108.73 2dm2 n GLY 90 Ca 0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2dm2 n GLY 90 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dm2 s ARG 91 N -1.93 2.50 0.45 1.61 1.70 -1.26 -3.18 118.95 118.85 2dm2 s ARG 91 Ca 0.00 -0.74 0.05 0.00 -0.47 0.00 0.00 55.73 54.58 2dm2 s ARG 91 Cb 0.00 -1.97 -0.05 0.00 -0.57 0.00 0.00 34.95 32.36 2dm2 s ARG 91 CO 0.00 0.18 0.07 0.96 -1.08 0.00 0.00 175.30 175.43 2dm2 s ILE 92 N 0.31 1.79 -0.02 4.99 -4.36 -1.18 -4.97 121.20 117.77 2dm2 s ILE 92 Ca -0.14 -1.90 -0.11 0.00 -0.26 0.00 0.00 60.65 58.24 2dm2 s ILE 92 Cb -0.16 -2.69 0.02 0.00 1.25 0.00 0.00 42.46 40.87 2dm2 s ILE 92 CO 0.06 0.00 0.24 -0.94 0.24 0.00 0.00 174.94 174.54 2dm2 s SER 93 N -3.84 -0.12 0.43 4.36 1.04 -1.26 -1.39 113.70 112.91 2dm2 s SER 93 Ca 0.28 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.76 2dm2 s SER 93 Cb 0.05 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2dm2 s SER 93 CO 0.15 -0.39 0.05 0.00 0.98 0.00 0.00 173.24 174.03 2dm2 s THR 95 N -3.03 0.90 -0.14 0.00 2.01 -1.26 -3.38 115.64 110.73 2dm2 s THR 95 Ca 0.22 -1.10 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 2dm2 s THR 95 Cb 0.05 -0.88 0.05 0.00 0.01 0.00 0.00 72.50 71.73 2dm2 s THR 95 CO 0.11 -0.19 0.54 -0.83 -0.69 0.00 0.00 174.62 173.56 2dm2 s GLY 96 N -1.45 -0.40 -0.00 4.40 0.00 -1.04 -4.14 107.32 104.68 2dm2 s GLY 96 Ca -0.03 1.31 0.08 0.00 0.00 0.00 0.00 44.72 46.07 2dm2 s GLY 96 CO 0.01 1.06 -0.25 -1.60 0.00 0.00 0.00 173.10 172.32 2dm2 s ARG 97 N -0.27 1.96 0.08 2.90 6.06 -1.26 -0.77 118.95 127.64 2dm2 s ARG 97 Ca -0.04 -0.95 0.08 0.00 -2.50 0.00 0.00 55.73 52.33 2dm2 s ARG 97 Cb -0.03 -1.95 -0.03 0.00 0.06 0.00 0.00 34.95 32.99 2dm2 s ARG 97 CO 0.03 0.53 -0.23 -0.51 -2.50 0.00 0.00 175.30 172.62 2dm2 s LEU 98 N -0.75 2.24 -0.32 -0.88 1.43 -1.18 -4.01 118.68 115.21 2dm2 s LEU 98 Ca 0.10 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2dm2 s LEU 98 Cb -0.10 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.19 2dm2 s LEU 98 CO -0.00 0.14 0.05 -0.04 0.23 0.00 0.00 176.35 176.73 2dm2 s MET 99 N -1.58 1.27 -0.26 1.70 -1.94 -0.75 -3.98 119.30 113.77 2dm2 s MET 99 Ca 0.09 -1.49 -0.11 0.00 -1.71 0.00 0.00 55.69 52.46 2dm2 s MET 99 Cb -0.10 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.97 2dm2 s MET 99 CO 0.03 -0.90 0.18 0.08 -0.01 0.00 0.00 175.02 174.40 2dm2 s VAL 100 N 1.20 5.33 -0.22 -6.03 1.01 -1.26 -1.08 120.40 119.35 2dm2 s VAL 100 Ca 0.08 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2dm2 s VAL 100 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2dm2 s VAL 100 CO -0.13 0.29 0.10 -1.58 0.00 0.00 0.00 175.10 173.78 2dm2 s GLN 101 N 1.43 3.93 0.29 2.72 2.00 0.57 -4.87 119.66 125.74 2dm2 s GLN 101 Ca 0.08 -0.35 -0.30 0.00 -2.00 0.00 0.00 55.36 52.79 2dm2 s GLN 101 Cb -0.15 -3.36 -0.12 0.00 0.80 0.00 0.00 33.01 30.18 2dm2 s GLN 101 CO 0.08 0.08 1.50 0.00 -0.50 0.00 0.00 175.29 176.45 2dm2 n ALA 102 N 4.15 1.98 -3.66 1.58 0.00 -1.26 0.11 120.51 123.42 2dm2 n ALA 102 Ca -0.16 0.38 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 2dm2 n ALA 102 Cb 0.52 -2.38 -0.17 0.00 0.00 0.00 0.00 19.45 17.42 2dm2 n ALA 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dm2 s VAL 103 N -0.28 0.17 -0.27 0.00 0.11 -1.26 -4.77 120.40 114.10 2dm2 s VAL 103 Ca 0.63 -0.39 -0.32 0.00 -2.93 0.00 0.00 61.98 58.96 2dm2 s VAL 103 Cb -0.54 -0.81 -0.09 0.00 -1.53 0.00 0.00 36.38 33.41 2dm2 s VAL 103 CO 0.52 -0.30 2.18 0.59 -3.33 0.00 0.00 175.10 174.76 2dm2 n ASN 104 N 5.18 2.71 -3.64 3.54 4.13 -1.26 -4.87 115.26 121.05 2dm2 n ASN 104 Ca -0.08 0.37 -0.07 0.00 1.68 0.00 0.00 54.58 56.48 2dm2 n ASN 104 Cb 0.48 -1.40 -0.07 0.00 -1.54 0.00 0.00 39.78 37.25 2dm2 n ASN 104 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dm2 s SER 105 N 7.50 -0.36 0.00 6.41 1.04 -1.26 -5.18 113.70 121.84 2dm2 s SER 105 Ca 1.05 0.69 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2dm2 s SER 105 Cb -0.62 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dm2 s SER 105 CO 0.43 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dm2 n GLY 106 N 2.18 2.90 3.58 7.32 0.00 -1.26 -5.14 105.19 114.78 2dm2 n GLY 106 Ca -0.12 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.76 -1.44 -0.08 1.61 0.04 -1.26 -5.08 135.00 127.03 2dm2 s PRO 107 Ca 0.00 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 60.86 2dm2 s PRO 107 Cb 0.00 -1.58 0.04 0.00 0.04 0.00 0.00 34.50 33.01 2dm2 s PRO 107 CO 0.00 -3.84 0.15 0.45 0.04 0.00 0.00 177.00 173.80 2dm2 s SER 108 N -3.97 0.62 0.32 6.66 0.15 -1.26 -5.16 113.70 111.07 2dm2 s SER 108 Ca 0.72 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.79 2dm2 s SER 108 Cb -0.08 0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 64.41 2dm2 s SER 108 CO 0.56 -0.23 -0.10 -0.55 1.20 0.00 0.00 173.24 174.12 2dm2 s SER 109 N 2.10 3.83 0.00 5.45 0.15 -1.26 -5.38 113.70 118.58 2dm2 s SER 109 Ca 0.01 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2dm2 s SER 109 Cb -0.12 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 2dm2 s SER 109 CO -0.06 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.86