#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 0.35 0.12 1.61 0.15 -1.26 -5.06 113.70 109.60 2dm2 s SER 2 Ca 0.00 0.38 -0.23 0.00 0.70 0.00 0.00 55.95 56.80 2dm2 s SER 2 Cb 0.00 0.32 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2dm2 s SER 2 CO 0.00 -0.21 1.37 -0.24 1.20 0.00 0.00 173.24 175.36 2dm2 n SER 3 N 4.89 -0.77 0.00 5.45 2.88 -1.26 -4.70 113.62 120.11 2dm2 n SER 3 Ca -0.13 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2dm2 n SER 3 Cb 0.51 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2dm2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm2 n GLY 4 N -1.18 -1.81 3.81 0.46 0.00 -1.26 -5.16 105.19 100.05 2dm2 n GLY 4 Ca 0.01 0.76 -0.33 0.00 0.00 0.00 0.00 46.02 46.46 2dm2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm2 s SER 5 N 0.00 6.49 -0.28 1.61 0.15 -1.26 -5.05 113.70 115.36 2dm2 s SER 5 Ca 0.00 1.79 -0.00 0.00 0.70 0.00 0.00 55.95 58.44 2dm2 s SER 5 Cb 0.00 -2.54 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2dm2 s SER 5 CO 0.00 -0.68 0.05 -0.55 1.20 0.00 0.00 173.24 173.27 2dm2 s SER 6 N -2.31 3.94 -0.37 5.45 0.15 -1.26 -4.98 113.70 114.33 2dm2 s SER 6 Ca 0.64 -1.50 0.13 0.00 0.70 0.00 0.00 55.95 55.92 2dm2 s SER 6 Cb -0.13 -1.00 0.41 0.00 -1.71 0.00 0.00 66.02 63.60 2dm2 s SER 6 CO 0.22 -0.36 1.14 0.61 1.20 0.00 0.00 173.24 176.05 2dm2 n GLY 7 N 4.76 1.48 3.73 9.45 0.00 -1.26 -5.14 105.19 118.21 2dm2 n GLY 7 Ca -0.04 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 1.77 0.44 4.61 0.00 -1.26 -4.12 121.76 121.84 2dm2 s ALA 8 Ca 0.25 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 52.06 2dm2 s ALA 8 Cb 0.42 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 2dm2 s ALA 8 CO -0.03 -2.18 1.17 -1.25 0.00 0.00 0.00 175.76 173.47 2dm2 s PRO 9 N -4.90 3.84 -0.12 0.00 0.04 -1.26 -4.29 135.00 128.31 2dm2 s PRO 9 Ca 0.63 1.80 -0.09 0.00 0.04 0.00 0.00 61.00 63.38 2dm2 s PRO 9 Cb -0.18 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.91 2dm2 s PRO 9 CO 0.57 -0.49 0.31 -0.59 0.04 0.00 0.00 177.00 176.83 2dm2 s PHE 10 N -1.50 -0.38 -0.39 0.56 -0.12 -1.17 -4.66 117.98 110.31 2dm2 s PHE 10 Ca 0.62 0.90 -0.29 0.00 -0.05 0.00 0.00 56.93 58.11 2dm2 s PHE 10 Cb -0.29 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.22 2dm2 s PHE 10 CO 0.36 -0.22 1.55 -0.06 -0.05 0.00 0.00 175.22 176.80 2dm2 s PHE 11 N 0.73 2.18 0.12 3.49 0.08 -1.26 -0.71 117.98 122.62 2dm2 s PHE 11 Ca -0.05 0.65 -0.12 0.00 0.12 0.00 0.00 56.93 57.53 2dm2 s PHE 11 Cb -0.06 -4.25 -0.09 0.00 -0.57 0.00 0.00 43.02 38.05 2dm2 s PHE 11 CO -0.05 -2.32 1.41 0.93 -0.10 0.00 0.00 175.22 175.09 2dm2 h GLU 12 N 11.50 0.87 -3.09 0.44 4.39 -0.84 -3.39 114.58 124.47 2dm2 h GLU 12 Ca -0.30 -0.54 -0.62 0.00 0.34 0.00 0.00 59.36 58.24 2dm2 h GLU 12 Cb 1.13 0.06 -0.40 0.00 -0.10 0.00 0.00 28.75 29.43 2dm2 h GLU 12 CO 1.07 1.18 -0.70 1.41 -1.16 0.00 0.00 179.01 180.81 2dm2 s MET 13 N -4.16 1.63 0.72 2.33 1.75 -1.24 -4.96 119.30 115.38 2dm2 s MET 13 Ca -0.11 -2.37 -0.17 0.00 -1.25 0.00 0.00 55.69 51.79 2dm2 s MET 13 Cb 0.10 -2.73 -0.09 0.00 2.84 0.00 0.00 34.83 34.95 2dm2 s MET 13 CO 0.89 -1.17 0.11 1.63 -0.65 0.00 0.00 175.02 175.82 2dm2 n LYS 14 N 3.17 0.14 -2.06 4.11 4.76 -1.26 -3.83 118.16 123.19 2dm2 n LYS 14 Ca 0.10 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.20 2dm2 n LYS 14 Cb 0.34 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 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 2.65 4.39 0.00 -0.35 1.43 -1.26 -4.96 118.68 120.57 2dm2 s LEU 15 Ca 0.58 2.58 0.03 0.00 -1.03 0.00 0.00 54.13 56.29 2dm2 s LEU 15 Cb -0.35 -3.62 0.11 0.00 0.03 0.00 0.00 46.19 42.36 2dm2 s LEU 15 CO 0.65 -0.67 0.79 0.29 0.23 0.00 0.00 176.35 177.65 2dm2 n LYS 16 N 2.64 0.26 -5.01 1.70 5.02 -1.26 -4.95 118.16 116.56 2dm2 n LYS 16 Ca 0.07 -2.48 -0.32 0.00 -2.02 0.00 0.00 58.31 53.56 2dm2 n LYS 16 Cb 0.41 -0.42 -0.15 0.00 -0.02 0.00 0.00 35.03 34.84 2dm2 n LYS 16 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2dm2 s HIS 17 N -2.41 2.64 -0.04 2.13 3.76 -1.26 -4.57 115.29 115.53 2dm2 s HIS 17 Ca 0.55 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 2dm2 s HIS 17 Cb -0.04 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2dm2 s HIS 17 CO 0.36 -0.14 -0.15 0.71 -0.85 0.00 0.00 174.74 174.67 2dm2 s TYR 18 N -0.08 1.49 -0.32 1.40 2.02 -1.26 -5.12 117.35 115.49 2dm2 s TYR 18 Ca -0.04 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 2dm2 s TYR 18 Cb -0.14 -1.03 0.06 0.00 -0.40 0.00 0.00 41.96 40.45 2dm2 s TYR 18 CO 0.04 -0.16 0.04 0.21 -1.57 0.00 0.00 175.55 174.11 2dm2 s LYS 19 N 0.15 2.39 0.41 -0.62 2.20 -1.26 -3.57 119.74 119.44 2dm2 s LYS 19 Ca -0.05 -1.34 0.03 0.00 -0.36 0.00 0.00 55.97 54.26 2dm2 s LYS 19 Cb -0.11 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 2dm2 s LYS 19 CO 0.02 -0.69 0.07 0.96 -0.36 0.00 0.00 175.35 175.35 2dm2 s ILE 20 N 1.26 0.99 0.19 5.43 -4.36 -1.13 -5.04 121.20 118.54 2dm2 s ILE 20 Ca -0.03 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 2dm2 s ILE 20 Cb -0.20 -2.47 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 2dm2 s ILE 20 CO -0.01 0.00 0.26 -0.36 0.24 0.00 0.00 174.94 175.07 2dm2 s PHE 21 N -3.11 3.35 0.10 1.37 0.40 -1.26 -3.55 117.98 115.28 2dm2 s PHE 21 Ca 0.24 0.02 -0.36 0.00 -0.60 0.00 0.00 56.93 56.23 2dm2 s PHE 21 Cb 0.05 -1.57 -0.16 0.00 0.51 0.00 0.00 43.02 41.85 2dm2 s PHE 21 CO 0.12 0.50 1.43 -1.91 0.70 0.00 0.00 175.22 176.06 2dm2 n GLU 22 N -0.80 1.48 0.00 0.44 0.00 -0.37 -1.52 120.64 119.87 2dm2 n GLU 22 Ca -0.08 0.53 0.00 0.00 0.00 0.00 0.00 57.16 57.61 2dm2 n GLU 22 Cb 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 31.44 29.77 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 2.85 3.06 3.78 8.31 0.00 -0.51 -4.65 105.19 118.03 2dm2 n GLY 23 Ca 0.18 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 4.11 0.90 1.61 -1.94 -0.57 -4.02 119.30 119.39 2dm2 s MET 24 Ca 0.00 2.57 -0.12 0.00 -1.71 0.00 0.00 55.69 56.44 2dm2 s MET 24 Cb 0.00 -2.97 0.13 0.00 2.01 0.00 0.00 34.83 34.00 2dm2 s MET 24 CO 0.00 -0.54 1.09 -1.25 -0.01 0.00 0.00 175.02 174.31 2dm2 s PRO 25 N -1.98 1.20 0.04 2.03 0.04 -1.26 -3.90 135.00 131.17 2dm2 s PRO 25 Ca 0.53 0.80 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 2dm2 s PRO 25 Cb -0.47 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2dm2 s PRO 25 CO 0.62 -2.28 0.12 0.54 0.04 0.00 0.00 177.00 176.04 2dm2 s VAL 26 N -2.93 0.12 -0.04 -0.36 0.11 -1.10 -4.98 120.40 111.22 2dm2 s VAL 26 Ca 0.64 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2dm2 s VAL 26 Cb -0.18 -0.86 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2dm2 s VAL 26 CO 0.57 -0.56 0.00 -0.89 -3.33 0.00 0.00 175.10 170.89 2dm2 s THR 27 N -2.50 0.19 -0.27 5.04 2.01 -1.26 -1.95 115.64 116.89 2dm2 s THR 27 Ca -0.06 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.08 2dm2 s THR 27 Cb -0.02 -0.30 0.07 0.00 0.01 0.00 0.00 72.50 72.26 2dm2 s THR 27 CO -0.04 0.16 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.62 2dm2 s PHE 28 N 1.21 3.29 -0.05 4.92 0.08 -0.28 -4.94 117.98 122.21 2dm2 s PHE 28 Ca -0.07 -2.42 0.01 0.00 0.12 0.00 0.00 56.93 54.57 2dm2 s PHE 28 Cb -0.13 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2dm2 s PHE 28 CO -0.02 -0.89 -0.04 0.99 -0.10 0.00 0.00 175.22 175.17 2dm2 s THR 29 N 1.09 3.95 -0.15 0.64 2.01 -1.26 -0.15 115.64 121.77 2dm2 s THR 29 Ca -0.05 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2dm2 s THR 29 Cb -0.20 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.68 2dm2 s THR 29 CO -0.06 0.52 0.37 0.00 -0.69 0.00 0.00 174.62 174.76 2dm2 s ARG 31 N 0.70 3.45 -0.18 0.00 0.52 -1.25 -2.94 118.95 119.25 2dm2 s ARG 31 Ca -0.04 -0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.53 2dm2 s ARG 31 Cb -0.05 -3.84 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 2dm2 s ARG 31 CO -0.05 -0.55 0.09 0.08 0.02 0.00 0.00 175.30 174.89 2dm2 s VAL 32 N 1.92 5.03 0.53 3.52 1.01 -1.26 -0.07 120.40 131.08 2dm2 s VAL 32 Ca 0.10 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.21 2dm2 s VAL 32 Cb -0.17 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 32.99 2dm2 s VAL 32 CO 0.11 0.47 0.63 0.00 0.00 0.00 0.00 175.10 176.31 2dm2 s ALA 33 N 0.26 4.55 0.00 5.51 0.00 0.12 -4.91 121.76 127.28 2dm2 s ALA 33 Ca 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.17 2dm2 s ALA 33 Cb -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2dm2 s ALA 33 CO -0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2dm2 n GLY 34 N -2.00 2.27 3.10 0.00 0.00 -1.26 -3.04 105.19 104.26 2dm2 n GLY 34 Ca 0.09 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 2dm2 n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm2 s ASN 35 N 0.00 0.33 0.95 1.61 -0.87 -1.26 -4.33 114.94 111.38 2dm2 s ASN 35 Ca 0.00 -0.78 -0.12 0.00 -1.57 0.00 0.00 52.86 50.39 2dm2 s ASN 35 Cb 0.00 0.21 0.16 0.00 -0.02 0.00 0.00 41.25 41.60 2dm2 s ASN 35 CO 0.00 -0.56 1.09 -2.16 -2.57 0.00 0.00 177.10 172.90 2dm2 s PRO 36 N -3.29 0.81 -0.61 -0.60 0.04 -1.26 -4.81 135.00 125.29 2dm2 s PRO 36 Ca 0.01 0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2dm2 s PRO 36 Cb 0.03 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.66 2dm2 s PRO 36 CO -0.08 -2.50 1.63 1.17 0.04 0.00 0.00 177.00 177.26 2dm2 n LYS 37 N -4.04 0.00 -2.26 4.56 3.00 -1.26 -4.81 118.16 113.35 2dm2 n LYS 37 Ca 0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.01 2dm2 n LYS 37 Cb 0.56 -0.90 -0.01 0.00 0.00 0.00 0.00 35.03 34.69 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 5.43 3.61 0.03 1.64 0.04 -1.26 -4.99 135.00 139.51 2dm2 s PRO 38 Ca 0.83 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 2dm2 s PRO 38 Cb -0.76 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2dm2 s PRO 38 CO 0.30 -0.66 1.19 0.15 0.04 0.00 0.00 177.00 178.03 2dm2 s LYS 39 N -2.92 4.42 -0.08 4.56 1.02 -1.08 -4.71 119.74 120.94 2dm2 s LYS 39 Ca 0.67 1.74 -0.03 0.00 0.02 0.00 0.00 55.97 58.37 2dm2 s LYS 39 Cb -0.27 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2dm2 s LYS 39 CO 0.32 -0.29 0.04 0.42 -0.92 0.00 0.00 175.35 174.91 2dm2 s ILE 40 N 1.32 4.60 -0.06 2.17 -1.09 -1.26 -0.94 121.20 125.94 2dm2 s ILE 40 Ca 0.58 -0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.82 2dm2 s ILE 40 Cb -0.28 -2.97 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 2dm2 s ILE 40 CO 0.28 0.58 0.01 -0.31 -1.23 0.00 0.00 174.94 174.26 2dm2 s TYR 41 N -0.95 0.53 -0.07 3.97 2.02 -1.03 -5.02 117.35 116.81 2dm2 s TYR 41 Ca 0.15 -0.08 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 2dm2 s TYR 41 Cb -0.12 -0.68 -0.05 0.00 -0.40 0.00 0.00 41.96 40.72 2dm2 s TYR 41 CO 0.04 -0.26 0.52 -1.58 -1.57 0.00 0.00 175.55 172.69 2dm2 s TRP 42 N 1.75 3.59 -0.00 2.71 0.52 -1.26 -2.93 118.94 123.31 2dm2 s TRP 42 Ca 0.01 1.01 0.06 0.00 0.02 0.00 0.00 56.10 57.21 2dm2 s TRP 42 Cb -0.13 -2.55 -0.02 0.00 -1.15 0.00 0.00 33.47 29.62 2dm2 s TRP 42 CO -0.04 0.27 -0.19 -0.06 0.02 0.00 0.00 176.95 176.95 2dm2 s PHE 43 N 0.21 1.72 -0.25 -1.98 0.08 0.46 -3.33 117.98 114.89 2dm2 s PHE 43 Ca 0.28 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2dm2 s PHE 43 Cb -0.16 -1.09 0.07 0.00 -0.57 0.00 0.00 43.02 41.26 2dm2 s PHE 43 CO 0.13 -0.01 -0.01 0.15 -0.10 0.00 0.00 175.22 175.38 2dm2 s LYS 44 N -0.59 1.37 -1.49 0.44 -0.14 -0.13 -1.25 119.74 117.95 2dm2 s LYS 44 Ca 0.07 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 2dm2 s LYS 44 Cb -0.08 -2.51 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 2dm2 s LYS 44 CO -0.00 -0.69 0.00 -3.47 -0.76 0.00 0.00 175.35 170.43 2dm2 n ASP 45 N 4.70 -4.46 -0.05 2.83 -0.08 -1.20 -1.22 116.55 117.08 2dm2 n ASP 45 Ca -0.09 0.24 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2dm2 n ASP 45 Cb 0.44 -3.88 0.00 0.00 2.34 0.00 0.00 41.12 40.02 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm2 n GLY 46 N -0.62 1.24 3.13 0.27 0.00 -1.26 -5.10 105.19 102.85 2dm2 n GLY 46 Ca -0.17 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 2dm2 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm2 s LYS 47 N -2.20 0.76 -0.22 1.61 0.00 -0.35 -5.13 119.74 114.21 2dm2 s LYS 47 Ca 0.00 -0.84 -0.17 0.00 0.00 0.00 0.00 55.97 54.96 2dm2 s LYS 47 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 37.83 37.08 2dm2 s LYS 47 CO 0.00 0.16 0.47 -1.14 0.00 0.00 0.00 175.35 174.84 2dm2 s GLN 48 N -1.52 4.15 0.05 1.78 0.74 -1.26 -0.96 119.66 122.64 2dm2 s GLN 48 Ca -0.03 0.31 -0.20 0.00 0.05 0.00 0.00 55.36 55.49 2dm2 s GLN 48 Cb -0.09 -3.58 -0.06 0.00 1.10 0.00 0.00 33.01 30.38 2dm2 s GLN 48 CO 0.02 -0.17 0.60 0.42 -0.55 0.00 0.00 175.29 175.61 2dm2 s ILE 49 N 1.70 4.79 0.29 -2.34 1.01 -1.21 -5.00 121.20 120.43 2dm2 s ILE 49 Ca 0.21 1.27 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 2dm2 s ILE 49 Cb -0.15 -3.93 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 2dm2 s ILE 49 CO 0.09 0.49 0.94 -0.55 0.00 0.00 0.00 174.94 175.91 2dm2 s SER 50 N -0.69 7.45 0.48 3.58 0.15 -1.26 -4.88 113.70 118.53 2dm2 s SER 50 Ca 0.31 1.87 0.26 0.00 0.70 0.00 0.00 55.95 59.09 2dm2 s SER 50 Cb -0.19 -2.59 1.12 0.00 -1.71 0.00 0.00 66.02 62.65 2dm2 s SER 50 CO 0.19 0.03 1.91 1.55 1.20 0.00 0.00 173.24 178.11 2dm2 h PRO 51 N 3.57 0.00 -0.50 5.44 0.13 -1.97 -2.77 132.00 135.90 2dm2 h PRO 51 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2dm2 h PRO 51 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2dm2 h PRO 51 CO 0.66 0.17 0.11 1.63 -0.23 0.00 0.00 178.00 180.34 2dm2 n LYS 52 N -3.39 2.91 -2.54 0.86 4.76 -1.26 -4.49 118.16 115.02 2dm2 n LYS 52 Ca -0.00 -3.03 -0.43 0.00 -2.87 0.00 0.00 58.31 51.97 2dm2 n LYS 52 Cb 0.37 -1.99 -0.02 0.00 -1.84 0.00 0.00 35.03 31.54 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 -1.73 6.73 0.42 4.39 0.15 -1.05 -4.89 113.70 117.72 2dm2 s SER 53 Ca 0.48 0.95 0.22 0.00 0.70 0.00 0.00 55.95 58.30 2dm2 s SER 53 Cb 0.40 -2.54 1.19 0.00 -1.71 0.00 0.00 66.02 63.36 2dm2 s SER 53 CO 0.08 -1.07 1.78 0.44 1.20 0.00 0.00 173.24 175.67 2dm2 h ASP 54 N 8.94 0.36 0.58 5.45 5.19 -1.93 -2.03 116.42 132.99 2dm2 h ASP 54 Ca -0.23 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.22 2dm2 h ASP 54 Cb 1.08 0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.60 2dm2 h ASP 54 CO 1.06 0.06 -0.28 -0.74 -3.12 0.00 0.00 179.24 176.22 2dm2 h HIS 55 N 0.32 -0.72 -3.52 4.55 2.76 -1.94 -3.43 115.15 113.17 2dm2 h HIS 55 Ca 0.59 -0.02 -0.61 0.00 -2.20 0.00 0.00 60.37 58.13 2dm2 h HIS 55 Cb 1.65 0.24 -0.13 0.00 1.55 0.00 0.00 27.41 30.72 2dm2 h HIS 55 CO -0.00 -0.45 -0.33 0.71 -1.30 0.00 0.00 177.93 176.55 2dm2 s TYR 56 N -4.39 3.35 -0.33 5.26 2.02 -0.76 -4.05 117.35 118.45 2dm2 s TYR 56 Ca -0.11 0.44 -0.08 0.00 -0.37 0.00 0.00 57.07 56.96 2dm2 s TYR 56 Cb 0.01 -2.41 0.02 0.00 -0.40 0.00 0.00 41.96 39.19 2dm2 s TYR 56 CO 0.34 0.03 0.12 0.99 -1.57 0.00 0.00 175.55 175.46 2dm2 s THR 57 N 1.19 4.04 -0.34 -0.71 2.01 0.11 -4.06 115.64 117.88 2dm2 s THR 57 Ca 0.14 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 2dm2 s THR 57 Cb -0.14 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2dm2 s THR 57 CO 0.06 -0.09 0.17 -0.63 -0.69 0.00 0.00 174.62 173.44 2dm2 s ILE 58 N 1.47 4.54 0.29 1.82 1.01 -1.26 -1.71 121.20 127.37 2dm2 s ILE 58 Ca 0.01 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.12 2dm2 s ILE 58 Cb -0.19 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 2dm2 s ILE 58 CO 0.04 -0.08 -0.17 -1.10 0.00 0.00 0.00 174.94 173.63 2dm2 s GLN 59 N 1.58 1.70 -0.15 2.79 1.11 -1.20 -5.05 119.66 120.44 2dm2 s GLN 59 Ca 0.03 -1.80 -0.05 0.00 0.01 0.00 0.00 55.36 53.54 2dm2 s GLN 59 Cb -0.18 -1.72 -0.04 0.00 -1.01 0.00 0.00 33.01 30.06 2dm2 s GLN 59 CO 0.06 0.28 0.04 0.50 0.01 0.00 0.00 175.29 176.18 2dm2 s ARG 60 N -3.54 3.63 0.84 2.91 3.52 -1.26 -3.56 118.95 121.48 2dm2 s ARG 60 Ca 0.30 -0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.48 2dm2 s ARG 60 Cb -0.03 -3.06 0.17 0.00 -1.56 0.00 0.00 34.95 30.47 2dm2 s ARG 60 CO 0.15 0.43 1.14 -0.51 -0.81 0.00 0.00 175.30 175.71 2dm2 s ASP 61 N -0.10 3.71 0.31 -2.12 1.11 -1.17 -4.94 116.67 113.48 2dm2 s ASP 61 Ca 0.06 -0.22 0.01 0.00 0.18 0.00 0.00 52.55 52.57 2dm2 s ASP 61 Cb -0.12 0.05 0.49 0.00 1.07 0.00 0.00 42.92 44.42 2dm2 s ASP 61 CO 0.01 -2.31 1.88 -0.07 1.18 0.00 0.00 175.17 175.87 2dm2 h LEU 62 N -1.03 0.71 -3.91 1.23 3.38 -2.00 -2.20 115.31 111.50 2dm2 h LEU 62 Ca -0.38 -0.10 -0.53 0.00 0.09 0.00 0.00 57.88 56.96 2dm2 h LEU 62 Cb 1.25 -0.18 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 2dm2 h LEU 62 CO 0.36 0.67 0.67 0.47 0.09 0.00 0.00 178.44 180.70 2dm2 n ASP 63 N -4.32 4.57 -1.71 -0.43 9.92 -1.26 -4.87 116.55 118.45 2dm2 n ASP 63 Ca 0.04 -3.57 -0.14 0.00 -0.53 0.00 0.00 54.79 50.59 2dm2 n ASP 63 Cb 0.18 -0.86 -0.04 0.00 -0.64 0.00 0.00 41.12 39.76 2dm2 n ASP 63 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dm2 n GLY 64 N -1.01 0.79 3.65 0.44 0.00 -0.83 -4.89 105.19 103.34 2dm2 n GLY 64 Ca 0.58 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.34 4.51 0.32 2.61 2.01 -1.26 -4.75 115.64 116.74 2dm2 s THR 65 Ca 0.00 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.49 2dm2 s THR 65 Cb 0.00 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 68.10 2dm2 s THR 65 CO 0.00 -0.33 1.39 0.00 -0.69 0.00 0.00 174.62 174.99 2dm2 s SER 67 N -0.18 0.45 0.18 0.00 0.15 -1.23 -1.71 113.70 111.36 2dm2 s SER 67 Ca 0.53 0.41 -0.09 0.00 0.70 0.00 0.00 55.95 57.49 2dm2 s SER 67 Cb -0.42 0.82 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2dm2 s SER 67 CO 0.53 -0.27 0.48 -0.22 1.20 0.00 0.00 173.24 174.97 2dm2 s LEU 68 N 2.46 4.23 -0.01 3.45 2.96 0.79 -3.25 118.68 129.32 2dm2 s LEU 68 Ca 0.04 0.83 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 2dm2 s LEU 68 Cb -0.14 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.11 2dm2 s LEU 68 CO -0.11 0.01 0.01 -2.28 -1.32 0.00 0.00 176.35 172.65 2dm2 s HIS 69 N -1.68 0.05 -0.31 5.38 5.65 -0.69 -1.13 115.29 122.54 2dm2 s HIS 69 Ca 0.43 0.04 0.01 0.00 0.25 0.00 0.00 55.06 55.78 2dm2 s HIS 69 Cb -0.12 -0.11 0.10 0.00 -1.18 0.00 0.00 32.58 31.26 2dm2 s HIS 69 CO 0.21 -0.04 0.08 0.99 -0.65 0.00 0.00 174.74 175.34 2dm2 s THR 70 N 0.41 1.27 0.35 0.89 2.01 -0.82 -0.71 115.64 119.04 2dm2 s THR 70 Ca -0.03 -1.64 0.08 0.00 0.31 0.00 0.00 61.69 60.40 2dm2 s THR 70 Cb -0.05 -1.94 0.32 0.00 0.01 0.00 0.00 72.50 70.84 2dm2 s THR 70 CO -0.01 -0.64 1.87 0.00 -0.69 0.00 0.00 174.62 175.15 2dm2 h THR 71 N 6.53 0.84 -3.29 -0.82 1.03 -1.88 -2.91 112.91 112.42 2dm2 h THR 71 Ca -0.11 -0.25 -0.54 0.00 -0.01 0.00 0.00 66.41 65.51 2dm2 h THR 71 Cb 1.02 0.06 -0.35 0.00 -1.07 0.00 0.00 68.15 67.81 2dm2 h THR 71 CO 0.48 0.13 -0.81 0.00 -0.01 0.00 0.00 175.52 175.31 2dm2 s ALA 72 N -5.70 1.39 -0.38 0.00 0.00 -1.26 -4.12 121.76 111.69 2dm2 s ALA 72 Ca -0.10 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2dm2 s ALA 72 Cb 0.22 -0.76 0.09 0.00 0.00 0.00 0.00 23.12 22.67 2dm2 s ALA 72 CO 0.79 -0.14 0.14 -1.54 0.00 0.00 0.00 175.76 175.01 2dm2 s SER 73 N 1.15 5.14 0.52 0.00 1.04 -1.25 -4.95 113.70 115.34 2dm2 s SER 73 Ca -0.05 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.52 2dm2 s SER 73 Cb -0.14 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.21 2dm2 s SER 73 CO -0.02 -0.46 0.75 0.42 0.98 0.00 0.00 173.24 174.90 2dm2 s THR 74 N 1.15 3.25 -1.04 2.02 -4.23 -1.26 -1.42 115.64 114.11 2dm2 s THR 74 Ca 0.05 -0.54 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 2dm2 s THR 74 Cb -0.22 -3.22 0.02 0.00 1.34 0.00 0.00 72.50 70.43 2dm2 s THR 74 CO -0.04 -0.16 1.07 0.18 -0.54 0.00 0.00 174.62 175.13 2dm2 n LEU 75 N -2.28 0.00 -0.49 4.79 4.32 -1.26 -0.42 117.00 121.66 2dm2 n LEU 75 Ca 0.05 0.48 0.14 0.00 -0.02 0.00 0.00 56.01 56.66 2dm2 n LEU 75 Cb 0.59 -0.48 0.50 0.00 -1.62 0.00 0.00 43.42 42.40 2dm2 n LEU 75 CO 0.47 -0.44 0.85 -0.90 -1.22 0.00 0.00 177.39 176.15 2dm2 n ASP 76 N -1.48 1.55 -0.22 -1.43 5.68 -1.26 -3.63 116.55 115.76 2dm2 n ASP 76 Ca 0.01 -1.49 0.11 0.00 -0.50 0.00 0.00 54.79 52.91 2dm2 n ASP 76 Cb 0.03 0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 39.98 2dm2 n ASP 76 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2dm2 n ASP 77 N 0.19 1.41 -4.65 -1.12 5.68 0.44 -4.90 116.55 113.59 2dm2 n ASP 77 Ca 0.18 -1.18 -0.43 0.00 -0.50 0.00 0.00 54.79 52.87 2dm2 n ASP 77 Cb 0.37 0.72 -0.02 0.00 -1.14 0.00 0.00 41.12 41.05 2dm2 n ASP 77 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2dm2 s ASP 78 N -2.77 7.02 0.00 -1.12 -1.08 -1.24 -4.85 116.67 112.64 2dm2 s ASP 78 Ca 0.13 1.30 0.00 0.00 -0.52 0.00 0.00 52.55 53.46 2dm2 s ASP 78 Cb 0.17 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2dm2 s ASP 78 CO 0.73 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 176.27 2dm2 n GLY 79 N 3.54 1.00 2.79 2.66 0.00 -1.26 -5.02 105.19 108.90 2dm2 n GLY 79 Ca 0.12 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 2.00 1.13 0.53 1.61 2.20 -1.26 -3.66 114.94 117.49 2dm2 s ASN 80 Ca 0.00 0.05 -0.17 0.00 -0.94 0.00 0.00 52.86 51.79 2dm2 s ASN 80 Cb 0.00 0.27 -0.07 0.00 -2.00 0.00 0.00 41.25 39.45 2dm2 s ASN 80 CO 0.00 -0.28 1.01 -0.31 -2.94 0.00 0.00 177.10 174.58 2dm2 s TYR 81 N 2.29 3.21 -0.18 1.54 1.51 0.44 -3.24 117.35 122.93 2dm2 s TYR 81 Ca 0.04 1.51 -0.04 0.00 -1.01 0.00 0.00 57.07 57.57 2dm2 s TYR 81 Cb -0.14 -2.91 0.09 0.00 -0.11 0.00 0.00 41.96 38.89 2dm2 s TYR 81 CO -0.08 -0.65 0.27 0.99 -1.11 0.00 0.00 175.55 174.96 2dm2 s THR 82 N -2.42 -0.41 0.08 -0.71 2.01 -0.38 -0.56 115.64 113.26 2dm2 s THR 82 Ca 0.62 0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.77 2dm2 s THR 82 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2dm2 s THR 82 CO 0.29 -0.05 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.47 2dm2 s ILE 83 N 2.40 2.72 -0.08 1.82 2.07 -1.09 -0.40 121.20 128.65 2dm2 s ILE 83 Ca 0.05 -1.38 -0.07 0.00 -1.41 0.00 0.00 60.65 57.85 2dm2 s ILE 83 Cb -0.14 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.28 2dm2 s ILE 83 CO -0.11 0.22 0.20 -0.32 -1.91 0.00 0.00 174.94 173.02 2dm2 s MET 84 N -1.77 0.22 0.00 3.50 -2.45 -1.15 0.21 119.30 117.86 2dm2 s MET 84 Ca 0.16 0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.92 2dm2 s MET 84 Cb -0.10 0.08 -0.04 0.00 1.25 0.00 0.00 34.83 36.02 2dm2 s MET 84 CO 0.07 -0.04 -0.02 0.00 1.05 0.00 0.00 175.02 176.08 2dm2 s ALA 85 N 0.24 3.21 -0.19 4.11 0.00 -0.45 -2.45 121.76 126.24 2dm2 s ALA 85 Ca -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2dm2 s ALA 85 Cb -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2dm2 s ALA 85 CO -0.01 0.64 0.02 0.00 0.00 0.00 0.00 175.76 176.41 2dm2 s ALA 86 N -1.07 3.16 -0.06 0.00 0.00 -0.12 -3.21 121.76 120.46 2dm2 s ALA 86 Ca 0.19 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 2dm2 s ALA 86 Cb -0.11 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.22 2dm2 s ALA 86 CO 0.10 0.01 0.22 1.21 0.00 0.00 0.00 175.76 177.30 2dm2 s ASN 87 N 0.71 -0.18 0.00 0.00 3.04 -1.21 -2.65 114.94 114.64 2dm2 s ASN 87 Ca 0.01 0.30 0.09 0.00 0.04 0.00 0.00 52.86 53.30 2dm2 s ASN 87 Cb -0.14 0.40 0.53 0.00 -1.54 0.00 0.00 41.25 40.50 2dm2 s ASN 87 CO 0.02 -0.17 0.97 -0.81 -3.04 0.00 0.00 177.10 174.07 2dm2 n PRO 88 N 2.51 0.49 0.00 0.43 -0.04 -1.26 -1.92 135.00 135.21 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 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 4.63 0.00 0.54 6.02 -1.26 -5.09 117.38 121.44 2dm2 n GLN 89 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2dm2 n GLN 89 Cb 0.03 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 30.85 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 0.67 3.94 3.19 1.08 0.00 -0.81 -4.51 105.19 108.76 2dm2 n GLY 90 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.66 3.08 0.45 1.61 1.70 -1.26 -3.35 118.95 119.52 2dm2 s ARG 91 Ca 0.00 -0.81 0.07 0.00 -0.47 0.00 0.00 55.73 54.52 2dm2 s ARG 91 Cb 0.00 -2.53 -0.01 0.00 -0.57 0.00 0.00 34.95 31.83 2dm2 s ARG 91 CO 0.00 -0.05 0.33 0.96 -1.08 0.00 0.00 175.30 175.46 2dm2 s ILE 92 N 0.93 2.29 0.16 4.99 -4.36 -1.20 -4.94 121.20 119.07 2dm2 s ILE 92 Ca -0.04 -1.48 -0.10 0.00 -0.26 0.00 0.00 60.65 58.77 2dm2 s ILE 92 Cb -0.15 -2.77 -0.00 0.00 1.25 0.00 0.00 42.46 40.79 2dm2 s ILE 92 CO -0.03 0.00 0.30 -0.94 0.24 0.00 0.00 174.94 174.51 2dm2 s SER 93 N -4.11 0.01 0.33 4.36 1.04 -1.26 -1.34 113.70 112.73 2dm2 s SER 93 Ca 0.43 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 56.06 2dm2 s SER 93 Cb -0.01 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2dm2 s SER 93 CO 0.25 -0.90 0.37 0.00 0.98 0.00 0.00 173.24 173.93 2dm2 s THR 95 N -3.28 0.13 0.09 0.00 2.01 -1.26 -2.66 115.64 110.67 2dm2 s THR 95 Ca 0.36 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2dm2 s THR 95 Cb 0.01 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 2dm2 s THR 95 CO 0.24 -0.58 0.04 -0.83 -0.69 0.00 0.00 174.62 172.80 2dm2 s GLY 96 N -1.99 0.65 0.04 4.40 0.00 0.28 -4.62 107.32 106.08 2dm2 s GLY 96 Ca -0.07 -1.25 0.02 0.00 0.00 0.00 0.00 44.72 43.43 2dm2 s GLY 96 CO -0.04 -1.26 -0.08 -1.60 0.00 0.00 0.00 173.10 170.12 2dm2 s ARG 97 N -3.97 0.55 0.03 2.90 6.06 -1.26 -0.42 118.95 122.83 2dm2 s ARG 97 Ca 0.14 -0.76 0.02 0.00 -2.50 0.00 0.00 55.73 52.63 2dm2 s ARG 97 Cb 0.07 -0.33 -0.02 0.00 0.06 0.00 0.00 34.95 34.74 2dm2 s ARG 97 CO -0.05 0.06 -0.06 -0.51 -2.50 0.00 0.00 175.30 172.24 2dm2 s LEU 98 N -1.57 2.18 -0.26 -0.88 1.43 -1.24 -4.27 118.68 114.08 2dm2 s LEU 98 Ca -0.09 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2dm2 s LEU 98 Cb -0.10 -0.14 0.07 0.00 0.03 0.00 0.00 46.19 46.05 2dm2 s LEU 98 CO 0.01 -0.15 -0.02 -0.04 0.23 0.00 0.00 176.35 176.38 2dm2 s MET 99 N -1.15 1.49 -0.16 1.70 -1.94 -1.23 -4.22 119.30 113.79 2dm2 s MET 99 Ca -0.08 -1.12 -0.04 0.00 -1.71 0.00 0.00 55.69 52.75 2dm2 s MET 99 Cb -0.08 -2.60 -0.03 0.00 2.01 0.00 0.00 34.83 34.14 2dm2 s MET 99 CO 0.00 -0.69 -0.03 0.08 -0.01 0.00 0.00 175.02 174.37 2dm2 s VAL 100 N 1.36 3.88 -0.16 -6.03 1.01 -1.26 -2.83 120.40 116.38 2dm2 s VAL 100 Ca -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 2dm2 s VAL 100 Cb -0.19 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2dm2 s VAL 100 CO -0.09 0.48 -0.13 -1.10 0.00 0.00 0.00 175.10 174.26 2dm2 s GLN 101 N 0.49 3.30 -0.27 2.72 -1.52 -1.23 -4.90 119.66 118.25 2dm2 s GLN 101 Ca -0.03 -0.71 -0.32 0.00 -1.95 0.00 0.00 55.36 52.35 2dm2 s GLN 101 Cb -0.14 -2.68 -0.08 0.00 -0.22 0.00 0.00 33.01 29.88 2dm2 s GLN 101 CO 0.03 0.05 2.19 0.00 -0.25 0.00 0.00 175.29 177.31 2dm2 n ALA 102 N 3.98 1.41 0.11 6.09 0.00 -1.26 -1.24 120.51 129.60 2dm2 n ALA 102 Ca -0.19 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.13 2dm2 n ALA 102 Cb 0.52 -2.72 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 2dm2 n ALA 102 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dm2 n VAL 103 N 7.36 0.00 -4.10 0.00 3.14 -1.26 -4.92 118.33 118.55 2dm2 n VAL 103 Ca 0.35 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 61.11 2dm2 n VAL 103 Cb 0.34 1.01 -0.15 0.00 -1.06 0.00 0.00 33.84 33.98 2dm2 n VAL 103 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2dm2 s ASN 104 N -0.96 0.58 0.04 6.55 2.47 -1.26 -5.03 114.94 117.34 2dm2 s ASN 104 Ca 0.01 -0.08 -0.04 0.00 0.42 0.00 0.00 52.86 53.17 2dm2 s ASN 104 Cb 0.02 -0.16 -0.02 0.00 -1.45 0.00 0.00 41.25 39.64 2dm2 s ASN 104 CO 0.08 0.01 0.07 -0.44 -3.72 0.00 0.00 177.10 173.09 2dm2 s SER 105 N 0.29 0.25 0.00 -4.21 0.01 -1.26 -5.13 113.70 103.65 2dm2 s SER 105 Ca -0.03 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.58 2dm2 s SER 105 Cb -0.06 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2dm2 s SER 105 CO -0.00 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2dm2 n GLY 106 N 0.60 4.00 0.09 3.44 0.00 -1.26 -5.04 105.19 107.02 2dm2 n GLY 106 Ca -0.18 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 0.17 -5.49 1.61 0.13 -2.09 -3.40 132.00 122.93 2dm2 h PRO 107 Ca 0.00 -0.09 -0.63 0.00 -0.87 0.00 0.00 66.00 64.42 2dm2 h PRO 107 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2dm2 h PRO 107 CO 0.00 0.61 0.56 -1.12 -0.23 0.00 0.00 178.00 177.82 2dm2 s SER 108 N -5.90 6.17 -0.30 1.44 0.01 -1.26 -4.91 113.70 108.96 2dm2 s SER 108 Ca -0.15 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.00 2dm2 s SER 108 Cb 0.03 -2.42 0.18 0.00 0.21 0.00 0.00 66.02 64.02 2dm2 s SER 108 CO 0.71 -1.45 1.11 -0.55 0.41 0.00 0.00 173.24 173.47 2dm2 s SER 109 N 3.67 -0.34 0.00 2.44 0.15 -1.26 -5.20 113.70 113.16 2dm2 s SER 109 Ca 0.23 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2dm2 s SER 109 Cb -0.16 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2dm2 s SER 109 CO 0.11 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.09