#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 -0.30 -0.13 1.61 0.15 -1.26 -5.15 113.70 108.62 2dm2 s SER 2 Ca 0.00 0.57 -0.05 0.00 0.70 0.00 0.00 55.95 57.17 2dm2 s SER 2 Cb 0.00 0.59 0.06 0.00 -1.71 0.00 0.00 66.02 64.96 2dm2 s SER 2 CO 0.00 -0.12 0.28 -0.44 1.20 0.00 0.00 173.24 174.16 2dm2 s SER 3 N 0.10 0.02 -0.04 5.45 0.01 -1.26 -5.15 113.70 112.83 2dm2 s SER 3 Ca -0.01 0.62 -0.18 0.00 1.31 0.00 0.00 55.95 57.69 2dm2 s SER 3 Cb -0.02 0.65 -0.05 0.00 0.21 0.00 0.00 66.02 66.81 2dm2 s SER 3 CO 0.01 -0.21 0.51 -0.83 0.41 0.00 0.00 173.24 173.13 2dm2 s GLY 4 N 1.95 2.51 -0.23 3.44 0.00 -1.26 -4.98 107.32 108.75 2dm2 s GLY 4 Ca -0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 2dm2 s GLY 4 CO -0.09 0.63 -0.03 1.44 0.00 0.00 0.00 173.10 175.04 2dm2 n SER 5 N 2.84 1.95 -3.88 1.64 7.64 -1.26 -4.80 113.62 117.75 2dm2 n SER 5 Ca -0.08 0.28 -0.30 0.00 1.01 0.00 0.00 58.87 59.77 2dm2 n SER 5 Cb 0.51 -0.82 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 2dm2 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dm2 s SER 6 N -7.07 4.21 -0.21 6.43 0.01 -1.26 -4.93 113.70 110.88 2dm2 s SER 6 Ca -0.32 -2.60 0.14 0.00 1.31 0.00 0.00 55.95 54.47 2dm2 s SER 6 Cb 0.10 -1.40 0.45 0.00 0.21 0.00 0.00 66.02 65.37 2dm2 s SER 6 CO 0.58 -0.29 1.19 0.61 0.41 0.00 0.00 173.24 175.74 2dm2 n GLY 7 N 3.63 4.48 3.79 3.44 0.00 -1.26 -5.08 105.19 114.19 2dm2 n GLY 7 Ca 0.05 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.93 2.60 0.49 4.61 0.00 -1.26 -4.07 121.76 121.20 2dm2 s ALA 8 Ca 0.40 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 2dm2 s ALA 8 Cb 0.38 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 2dm2 s ALA 8 CO -0.05 -1.13 1.15 -1.25 0.00 0.00 0.00 175.76 174.49 2dm2 s PRO 9 N -4.38 3.60 -0.12 0.00 0.04 -1.26 -4.49 135.00 128.40 2dm2 s PRO 9 Ca 0.63 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 63.31 2dm2 s PRO 9 Cb -0.17 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.16 2dm2 s PRO 9 CO 0.44 -0.67 0.30 -0.59 0.04 0.00 0.00 177.00 176.52 2dm2 s PHE 10 N -1.63 -0.39 -0.57 0.56 -0.12 -1.25 -4.76 117.98 109.82 2dm2 s PHE 10 Ca 0.67 0.91 -0.27 0.00 -0.05 0.00 0.00 56.93 58.18 2dm2 s PHE 10 Cb -0.27 0.12 -0.00 0.00 -0.63 0.00 0.00 43.02 42.24 2dm2 s PHE 10 CO 0.32 -0.24 1.61 -0.06 -0.05 0.00 0.00 175.22 176.80 2dm2 s PHE 11 N 0.95 2.00 0.09 3.49 0.08 -1.26 -1.88 117.98 121.45 2dm2 s PHE 11 Ca -0.06 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.38 2dm2 s PHE 11 Cb -0.07 -4.28 -0.09 0.00 -0.57 0.00 0.00 43.02 38.01 2dm2 s PHE 11 CO -0.07 -2.22 1.41 0.93 -0.10 0.00 0.00 175.22 175.16 2dm2 h GLU 12 N 12.59 0.65 -3.03 0.44 4.39 -0.59 -3.38 114.58 125.65 2dm2 h GLU 12 Ca -0.27 -0.35 -0.62 0.00 0.34 0.00 0.00 59.36 58.46 2dm2 h GLU 12 Cb 1.12 0.01 -0.41 0.00 -0.10 0.00 0.00 28.75 29.38 2dm2 h GLU 12 CO 1.19 0.95 -0.69 1.41 -1.16 0.00 0.00 179.01 180.71 2dm2 s MET 13 N -4.34 1.79 0.66 2.33 1.75 -1.22 -4.92 119.30 115.35 2dm2 s MET 13 Ca -0.13 -2.61 -0.17 0.00 -1.25 0.00 0.00 55.69 51.53 2dm2 s MET 13 Cb 0.08 -2.81 -0.11 0.00 2.84 0.00 0.00 34.83 34.83 2dm2 s MET 13 CO 0.82 -1.22 -0.00 1.63 -0.65 0.00 0.00 175.02 175.60 2dm2 n LYS 14 N 2.83 0.13 -1.54 4.11 4.76 -1.26 -3.83 118.16 123.36 2dm2 n LYS 14 Ca 0.14 0.06 -0.38 0.00 -2.87 0.00 0.00 58.31 55.26 2dm2 n LYS 14 Cb 0.36 -1.30 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 2dm2 n LYS 14 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dm2 n LEU 15 N 1.71 2.11 -4.73 -0.35 4.77 -1.26 -4.91 117.00 114.33 2dm2 n LEU 15 Ca 0.07 -0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 2dm2 n LEU 15 Cb 0.49 -1.47 0.09 0.00 -2.33 0.00 0.00 43.42 40.21 2dm2 n LEU 15 CO 0.52 -1.31 0.76 -0.75 -1.33 0.00 0.00 177.39 175.28 2dm2 s LYS 16 N 8.06 2.12 0.01 3.23 2.20 -1.26 -4.83 119.74 129.28 2dm2 s LYS 16 Ca 1.05 1.58 -0.12 0.00 -0.36 0.00 0.00 55.97 58.12 2dm2 s LYS 16 Cb -0.39 -1.85 -0.06 0.00 -1.51 0.00 0.00 37.83 34.02 2dm2 s LYS 16 CO 0.32 -1.81 0.38 -1.01 -0.36 0.00 0.00 175.35 172.87 2dm2 s HIS 17 N -2.26 3.67 0.03 4.03 3.76 -1.26 -4.82 115.29 118.44 2dm2 s HIS 17 Ca 0.70 0.89 0.03 0.00 -0.15 0.00 0.00 55.06 56.53 2dm2 s HIS 17 Cb -0.25 -2.21 -0.02 0.00 1.11 0.00 0.00 32.58 31.21 2dm2 s HIS 17 CO 0.47 0.62 -0.09 0.71 -0.85 0.00 0.00 174.74 175.60 2dm2 s TYR 18 N -1.17 0.77 -0.18 1.40 2.02 -1.26 -5.14 117.35 113.79 2dm2 s TYR 18 Ca 0.26 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 2dm2 s TYR 18 Cb -0.15 -0.46 0.03 0.00 -0.40 0.00 0.00 41.96 40.97 2dm2 s TYR 18 CO 0.14 -0.04 -0.16 0.21 -1.57 0.00 0.00 175.55 174.13 2dm2 s LYS 19 N -1.22 2.57 0.30 -0.62 2.20 -1.26 -3.25 119.74 118.45 2dm2 s LYS 19 Ca -0.05 -0.80 0.06 0.00 -0.36 0.00 0.00 55.97 54.82 2dm2 s LYS 19 Cb -0.08 -2.44 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 2dm2 s LYS 19 CO 0.01 -0.29 0.27 0.44 -0.36 0.00 0.00 175.35 175.42 2dm2 n ILE 20 N 4.66 0.00 -3.87 5.43 -5.35 -0.57 -5.03 119.36 114.63 2dm2 n ILE 20 Ca -0.18 -2.12 -0.24 0.00 -0.27 0.00 0.00 62.75 59.94 2dm2 n ILE 20 Cb 0.49 1.07 -0.03 0.00 -1.74 0.00 0.00 39.64 39.43 2dm2 n ILE 20 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2dm2 s PHE 21 N -3.20 2.19 0.17 4.28 0.40 -1.26 -2.88 117.98 117.68 2dm2 s PHE 21 Ca 0.35 -0.68 -0.32 0.00 -0.60 0.00 0.00 56.93 55.68 2dm2 s PHE 21 Cb 0.02 -1.99 -0.11 0.00 0.51 0.00 0.00 43.02 41.44 2dm2 s PHE 21 CO 0.25 -0.19 1.67 -2.00 0.70 0.00 0.00 175.22 175.64 2dm2 s GLU 22 N -4.13 4.17 0.00 0.44 -6.30 -0.72 -2.49 118.70 109.67 2dm2 s GLU 22 Ca 0.39 2.48 0.00 0.00 -2.50 0.00 0.00 54.97 55.34 2dm2 s GLU 22 Cb -0.01 -3.22 0.00 0.00 0.00 0.00 0.00 34.13 30.90 2dm2 s GLU 22 CO 0.23 -0.70 0.00 0.41 0.02 0.00 0.00 175.26 175.22 2dm2 n GLY 23 N 3.93 2.95 3.68 -1.50 0.00 0.43 -4.71 105.19 109.97 2dm2 n GLY 23 Ca 0.15 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2dm2 n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dm2 n MET 24 N 0.00 2.00 -1.64 1.61 2.81 -1.04 -3.56 117.12 117.30 2dm2 n MET 24 Ca 0.00 0.70 -0.33 0.00 -1.81 0.00 0.00 57.70 56.27 2dm2 n MET 24 Cb 0.00 -2.25 0.06 0.00 -0.71 0.00 0.00 33.22 30.31 2dm2 n MET 24 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2dm2 s PRO 25 N -1.74 2.67 -0.00 0.03 0.04 -1.26 -3.90 135.00 130.83 2dm2 s PRO 25 Ca 0.57 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.96 2dm2 s PRO 25 Cb -0.59 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 2dm2 s PRO 25 CO 0.61 -1.34 -0.05 0.54 0.04 0.00 0.00 177.00 176.80 2dm2 s VAL 26 N -2.48 0.40 -0.11 -0.36 0.11 -1.14 -4.99 120.40 111.83 2dm2 s VAL 26 Ca 0.65 -0.23 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 2dm2 s VAL 26 Cb -0.20 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2dm2 s VAL 26 CO 0.45 0.10 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.27 2dm2 s THR 27 N -0.14 1.59 -0.33 5.04 2.01 -1.26 -2.15 115.64 120.40 2dm2 s THR 27 Ca 0.02 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.33 2dm2 s THR 27 Cb -0.02 -1.43 0.08 0.00 0.01 0.00 0.00 72.50 71.14 2dm2 s THR 27 CO -0.00 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 2dm2 s PHE 28 N 0.89 3.50 -0.03 4.92 0.08 -0.38 -4.97 117.98 121.99 2dm2 s PHE 28 Ca -0.08 -2.47 0.01 0.00 0.12 0.00 0.00 56.93 54.50 2dm2 s PHE 28 Cb -0.15 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 2dm2 s PHE 28 CO -0.00 -0.91 -0.01 0.99 -0.10 0.00 0.00 175.22 175.19 2dm2 s THR 29 N 1.08 4.14 -0.19 0.64 2.01 -1.26 -1.42 115.64 120.63 2dm2 s THR 29 Ca 0.02 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 2dm2 s THR 29 Cb -0.20 -2.81 0.05 0.00 0.01 0.00 0.00 72.50 69.55 2dm2 s THR 29 CO -0.05 0.45 0.54 0.00 -0.69 0.00 0.00 174.62 174.86 2dm2 s ARG 31 N 0.19 2.98 -0.18 0.00 0.52 -1.25 -2.88 118.95 118.32 2dm2 s ARG 31 Ca -0.01 -1.24 -0.09 0.00 -0.52 0.00 0.00 55.73 53.87 2dm2 s ARG 31 Cb -0.04 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.31 2dm2 s ARG 31 CO 0.01 -0.93 0.13 0.08 0.02 0.00 0.00 175.30 174.61 2dm2 s VAL 32 N 1.65 5.40 0.51 3.52 1.01 -1.26 0.23 120.40 131.47 2dm2 s VAL 32 Ca 0.04 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2dm2 s VAL 32 Cb -0.22 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.76 2dm2 s VAL 32 CO 0.08 0.48 0.70 0.00 0.00 0.00 0.00 175.10 176.36 2dm2 s ALA 33 N 0.02 4.45 0.00 5.51 0.00 -0.79 -4.82 121.76 126.13 2dm2 s ALA 33 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2dm2 s ALA 33 Cb -0.11 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2dm2 s ALA 33 CO -0.00 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2dm2 n GLY 34 N -2.11 4.07 2.77 0.00 0.00 -1.26 -3.78 105.19 104.88 2dm2 n GLY 34 Ca 0.11 -1.16 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 1.04 0.74 1.61 2.47 -1.26 -2.59 114.94 116.95 2dm2 s ASN 35 Ca 0.00 -0.03 -0.12 0.00 0.42 0.00 0.00 52.86 53.13 2dm2 s ASN 35 Cb 0.00 -0.30 0.04 0.00 -1.45 0.00 0.00 41.25 39.54 2dm2 s ASN 35 CO 0.00 -0.16 1.10 -2.16 -3.72 0.00 0.00 177.10 172.15 2dm2 s PRO 36 N 1.61 2.43 -0.36 0.43 0.04 -1.26 -4.95 135.00 132.93 2dm2 s PRO 36 Ca -0.01 1.24 -0.45 0.00 0.04 0.00 0.00 61.00 61.82 2dm2 s PRO 36 Cb -0.13 -1.91 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 2dm2 s PRO 36 CO -0.03 -1.52 1.44 0.36 0.04 0.00 0.00 177.00 177.29 2dm2 n LYS 37 N -3.17 0.00 -1.64 4.56 -0.00 -1.07 -4.88 118.16 111.96 2dm2 n LYS 37 Ca 0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 58.08 2dm2 n LYS 37 Cb 0.53 -1.48 0.06 0.00 -0.00 0.00 0.00 35.03 34.14 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 2.18 2.68 -0.28 -1.58 0.04 -1.26 -4.95 135.00 131.84 2dm2 s PRO 38 Ca 1.00 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.09 2dm2 s PRO 38 Cb -1.42 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 2dm2 s PRO 38 CO 0.74 -1.34 1.59 0.15 0.04 0.00 0.00 177.00 178.19 2dm2 s LYS 39 N -4.28 3.68 0.26 4.56 1.02 0.39 -4.68 119.74 120.69 2dm2 s LYS 39 Ca 0.66 1.46 -0.20 0.00 0.02 0.00 0.00 55.97 57.91 2dm2 s LYS 39 Cb -0.20 -4.05 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 2dm2 s LYS 39 CO 0.45 -1.43 0.76 0.42 -0.92 0.00 0.00 175.35 174.63 2dm2 s ILE 40 N 5.50 4.53 -0.16 2.17 -1.09 -1.26 -1.41 121.20 129.47 2dm2 s ILE 40 Ca 0.70 1.32 -0.06 0.00 -2.23 0.00 0.00 60.65 60.38 2dm2 s ILE 40 Cb -0.22 -3.84 0.08 0.00 -1.58 0.00 0.00 42.46 36.90 2dm2 s ILE 40 CO 0.30 0.13 0.33 -0.31 -1.23 0.00 0.00 174.94 174.16 2dm2 s TYR 41 N -1.62 -0.58 -0.11 3.97 2.02 -1.18 -5.02 117.35 114.83 2dm2 s TYR 41 Ca 0.46 1.21 -0.15 0.00 -0.37 0.00 0.00 57.07 58.22 2dm2 s TYR 41 Cb -0.16 0.11 -0.05 0.00 -0.40 0.00 0.00 41.96 41.47 2dm2 s TYR 41 CO 0.21 -0.41 0.37 -1.58 -1.57 0.00 0.00 175.55 172.57 2dm2 s TRP 42 N 2.48 3.53 -0.09 2.71 0.52 -1.26 -2.59 118.94 124.25 2dm2 s TRP 42 Ca -0.00 0.77 -0.00 0.00 0.02 0.00 0.00 56.10 56.88 2dm2 s TRP 42 Cb -0.12 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 2dm2 s TRP 42 CO -0.10 0.31 -0.06 -0.06 0.02 0.00 0.00 176.95 177.06 2dm2 s PHE 43 N 0.17 1.21 -0.20 -1.98 0.08 0.25 -3.75 117.98 113.77 2dm2 s PHE 43 Ca 0.21 -0.52 -0.06 0.00 0.12 0.00 0.00 56.93 56.68 2dm2 s PHE 43 Cb -0.14 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2dm2 s PHE 43 CO 0.08 -0.40 0.02 0.21 -0.10 0.00 0.00 175.22 175.03 2dm2 s LYS 44 N 1.52 3.72 -0.10 0.44 2.36 0.08 -0.78 119.74 126.98 2dm2 s LYS 44 Ca 0.00 -0.47 0.00 0.00 -2.55 0.00 0.00 55.97 52.95 2dm2 s LYS 44 Cb -0.13 -3.12 0.00 0.00 -1.05 0.00 0.00 37.83 33.53 2dm2 s LYS 44 CO -0.05 0.08 0.00 -0.40 1.55 0.00 0.00 175.35 176.54 2dm2 n ASP 45 N 4.06 -1.05 -0.35 1.43 5.68 -1.07 0.15 116.55 125.40 2dm2 n ASP 45 Ca -0.17 0.37 0.00 0.00 -0.50 0.00 0.00 54.79 54.49 2dm2 n ASP 45 Cb 0.52 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.39 2dm2 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dm2 n GLY 46 N -0.41 0.93 2.93 6.12 0.00 -1.26 -5.08 105.19 108.42 2dm2 n GLY 46 Ca -0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.89 0.08 0.19 1.61 1.02 0.39 -5.14 119.74 114.00 2dm2 s LYS 47 Ca 0.00 0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 2dm2 s LYS 47 Cb 0.00 0.01 -0.08 0.00 -0.52 0.00 0.00 37.83 37.24 2dm2 s LYS 47 CO 0.00 -0.03 1.14 -1.14 -0.92 0.00 0.00 175.35 174.39 2dm2 s GLN 48 N 0.19 4.56 -0.33 1.68 0.74 -1.26 -0.74 119.66 124.49 2dm2 s GLN 48 Ca -0.01 1.79 -0.07 0.00 0.05 0.00 0.00 55.36 57.11 2dm2 s GLN 48 Cb -0.02 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.86 2dm2 s GLN 48 CO -0.01 0.03 0.12 0.42 -0.55 0.00 0.00 175.29 175.30 2dm2 s ILE 49 N -0.27 4.01 0.43 -2.34 1.01 -1.25 -4.94 121.20 117.85 2dm2 s ILE 49 Ca 0.50 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 2dm2 s ILE 49 Cb -0.31 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 2dm2 s ILE 49 CO 0.36 -0.10 1.32 -0.55 0.00 0.00 0.00 174.94 175.97 2dm2 s SER 50 N 1.47 6.12 0.21 3.58 0.15 -1.26 -4.92 113.70 119.05 2dm2 s SER 50 Ca 0.00 2.68 -0.02 0.00 0.70 0.00 0.00 55.95 59.31 2dm2 s SER 50 Cb -0.19 -2.64 0.18 0.00 -1.71 0.00 0.00 66.02 61.67 2dm2 s SER 50 CO 0.03 -0.98 1.57 1.55 1.20 0.00 0.00 173.24 176.62 2dm2 h PRO 51 N 2.45 0.59 -0.79 5.44 0.13 -1.98 -3.13 132.00 134.71 2dm2 h PRO 51 Ca -0.50 -0.31 -0.05 0.00 -0.87 0.00 0.00 66.00 64.27 2dm2 h PRO 51 Cb 1.25 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 2dm2 h PRO 51 CO 0.62 0.91 0.30 0.87 -0.23 0.00 0.00 178.00 180.46 2dm2 h LYS 52 N 0.48 1.19 -4.70 0.86 6.56 -1.92 -3.43 116.57 115.62 2dm2 h LYS 52 Ca 0.04 -0.22 -0.40 0.00 -1.06 0.00 0.00 60.65 59.00 2dm2 h LYS 52 Cb 0.94 -0.19 -0.10 0.00 -0.57 0.00 0.00 32.23 32.31 2dm2 h LYS 52 CO 0.08 0.97 1.80 0.45 -2.06 0.00 0.00 179.45 180.69 2dm2 n SER 53 N -4.27 -0.62 -0.38 0.86 2.88 -1.19 -4.68 113.62 106.22 2dm2 n SER 53 Ca 0.07 -0.20 0.33 0.00 -1.33 0.00 0.00 58.87 57.75 2dm2 n SER 53 Cb 0.20 -0.67 0.60 0.00 -0.75 0.00 0.00 64.21 63.59 2dm2 n SER 53 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2dm2 h ASP 54 N 10.78 0.31 -0.73 -3.46 3.32 -1.90 -0.19 116.42 124.55 2dm2 h ASP 54 Ca -0.00 0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.31 2dm2 h ASP 54 Cb 1.14 0.19 -0.10 0.00 0.22 0.00 0.00 39.33 40.78 2dm2 h ASP 54 CO 1.43 -0.29 -0.56 -0.74 -1.72 0.00 0.00 179.24 177.36 2dm2 h HIS 55 N 0.08 -1.78 -2.98 4.55 2.76 -1.95 -3.38 115.15 112.45 2dm2 h HIS 55 Ca 0.83 0.11 -0.63 0.00 -2.20 0.00 0.00 60.37 58.47 2dm2 h HIS 55 Cb 2.35 0.87 -0.10 0.00 1.55 0.00 0.00 27.41 32.08 2dm2 h HIS 55 CO -0.01 -0.41 -0.48 0.71 -1.30 0.00 0.00 177.93 176.44 2dm2 s TYR 56 N -5.50 3.50 -0.36 5.26 2.02 -0.08 -4.14 117.35 118.04 2dm2 s TYR 56 Ca -0.13 0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 56.96 2dm2 s TYR 56 Cb 0.10 -2.06 0.07 0.00 -0.40 0.00 0.00 41.96 39.66 2dm2 s TYR 56 CO 0.60 0.50 0.13 0.99 -1.57 0.00 0.00 175.55 176.20 2dm2 s THR 57 N -0.29 3.46 -0.31 -0.71 2.01 -0.64 -4.65 115.64 114.51 2dm2 s THR 57 Ca 0.12 -1.54 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 2dm2 s THR 57 Cb -0.12 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2dm2 s THR 57 CO 0.01 -0.37 0.31 -0.63 -0.69 0.00 0.00 174.62 173.25 2dm2 s ILE 58 N 1.28 5.21 -0.11 1.82 1.01 -1.26 -2.48 121.20 126.68 2dm2 s ILE 58 Ca 0.01 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2dm2 s ILE 58 Cb -0.21 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2dm2 s ILE 58 CO -0.01 0.05 -0.15 -1.10 0.00 0.00 0.00 174.94 173.73 2dm2 s GLN 59 N 1.94 2.19 -0.18 2.79 -0.21 -1.20 -5.04 119.66 119.94 2dm2 s GLN 59 Ca 0.11 -0.55 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 2dm2 s GLN 59 Cb -0.16 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.96 2dm2 s GLN 59 CO 0.11 -0.06 -0.06 -0.98 -2.12 0.00 0.00 175.29 172.17 2dm2 s ARG 60 N 0.99 3.46 0.44 2.91 1.70 -1.26 -3.15 118.95 124.04 2dm2 s ARG 60 Ca -0.07 -0.61 -0.10 0.00 -0.47 0.00 0.00 55.73 54.48 2dm2 s ARG 60 Cb -0.15 -2.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.28 2dm2 s ARG 60 CO -0.02 0.02 0.81 -0.51 -1.08 0.00 0.00 175.30 174.52 2dm2 s ASP 61 N 0.92 6.48 0.09 -2.89 1.01 -0.88 -4.92 116.67 116.48 2dm2 s ASP 61 Ca -0.01 1.17 -0.21 0.00 0.71 0.00 0.00 52.55 54.21 2dm2 s ASP 61 Cb -0.15 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.38 2dm2 s ASP 61 CO 0.01 -0.47 1.36 -0.07 0.21 0.00 0.00 175.17 176.20 2dm2 h LEU 62 N 0.98 -1.28 -0.93 1.23 3.38 -1.99 0.20 115.31 116.89 2dm2 h LEU 62 Ca -0.47 0.18 0.37 0.00 0.09 0.00 0.00 57.88 58.04 2dm2 h LEU 62 Cb 1.19 0.54 -0.17 0.00 0.09 0.00 0.00 40.66 42.31 2dm2 h LEU 62 CO 0.63 -0.23 0.41 -0.67 0.09 0.00 0.00 178.44 178.67 2dm2 n ASP 63 N -4.46 0.25 0.00 -0.43 -0.08 -1.26 -4.73 116.55 105.84 2dm2 n ASP 63 Ca -0.01 1.55 0.00 0.00 -1.51 0.00 0.00 54.79 54.82 2dm2 n ASP 63 Cb 0.21 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 42.95 2dm2 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm2 n GLY 64 N -1.28 1.00 3.81 0.27 0.00 0.69 -5.01 105.19 104.66 2dm2 n GLY 64 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.00 5.00 0.02 2.61 2.01 -1.23 -4.13 115.64 117.93 2dm2 s THR 65 Ca 0.00 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2dm2 s THR 65 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2dm2 s THR 65 CO 0.00 0.52 -0.00 0.00 -0.69 0.00 0.00 174.62 174.45 2dm2 s SER 67 N -1.70 0.04 -0.25 0.00 1.04 -1.19 -2.44 113.70 109.20 2dm2 s SER 67 Ca 0.21 0.42 -0.13 0.00 0.48 0.00 0.00 55.95 56.92 2dm2 s SER 67 Cb -0.12 1.22 -0.04 0.00 0.10 0.00 0.00 66.02 67.19 2dm2 s SER 67 CO 0.12 -0.28 0.28 -0.22 0.98 0.00 0.00 173.24 174.12 2dm2 s LEU 68 N 2.58 4.08 -0.01 2.42 2.96 -0.50 -3.27 118.68 126.94 2dm2 s LEU 68 Ca 0.10 0.23 0.05 0.00 -0.22 0.00 0.00 54.13 54.30 2dm2 s LEU 68 Cb -0.15 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2dm2 s LEU 68 CO -0.15 -0.06 -0.16 -2.28 -1.32 0.00 0.00 176.35 172.37 2dm2 s HIS 69 N 1.55 2.62 -0.28 5.38 5.65 -1.03 -1.25 115.29 127.93 2dm2 s HIS 69 Ca 0.12 -0.22 -0.02 0.00 0.25 0.00 0.00 55.06 55.19 2dm2 s HIS 69 Cb -0.15 -1.55 0.09 0.00 -1.18 0.00 0.00 32.58 29.79 2dm2 s HIS 69 CO 0.08 0.20 0.10 0.99 -0.65 0.00 0.00 174.74 175.46 2dm2 s THR 70 N -0.81 0.51 0.53 0.89 2.01 -0.91 -1.62 115.64 116.24 2dm2 s THR 70 Ca 0.13 -1.05 0.20 0.00 0.31 0.00 0.00 61.69 61.27 2dm2 s THR 70 Cb -0.11 -1.34 0.31 0.00 0.01 0.00 0.00 72.50 71.37 2dm2 s THR 70 CO 0.03 -0.62 2.13 0.00 -0.69 0.00 0.00 174.62 175.47 2dm2 h THR 71 N 6.47 0.87 -3.27 -0.82 1.03 -1.89 -3.01 112.91 112.29 2dm2 h THR 71 Ca -0.16 0.00 -0.52 0.00 -0.01 0.00 0.00 66.41 65.72 2dm2 h THR 71 Cb 1.03 0.94 -0.38 0.00 -1.07 0.00 0.00 68.15 68.67 2dm2 h THR 71 CO 0.44 0.00 -0.79 0.00 -0.01 0.00 0.00 175.52 175.16 2dm2 s ALA 72 N -4.99 1.22 -0.40 0.00 0.00 -1.26 -4.35 121.76 111.98 2dm2 s ALA 72 Ca -0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 2dm2 s ALA 72 Cb 0.17 -1.00 0.10 0.00 0.00 0.00 0.00 23.12 22.40 2dm2 s ALA 72 CO 0.66 -0.67 0.19 -1.54 0.00 0.00 0.00 175.76 174.40 2dm2 s SER 73 N 1.75 5.25 0.30 0.00 1.04 -1.23 -4.97 113.70 115.83 2dm2 s SER 73 Ca 0.02 -1.95 -0.09 0.00 0.48 0.00 0.00 55.95 54.42 2dm2 s SER 73 Cb -0.14 -1.83 -0.06 0.00 0.10 0.00 0.00 66.02 64.09 2dm2 s SER 73 CO -0.07 -0.52 0.61 0.42 0.98 0.00 0.00 173.24 174.66 2dm2 s THR 74 N 1.16 4.91 0.26 2.02 -4.23 -1.26 -0.43 115.64 118.07 2dm2 s THR 74 Ca 0.07 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.06 2dm2 s THR 74 Cb -0.23 -3.68 0.30 0.00 1.34 0.00 0.00 72.50 70.23 2dm2 s THR 74 CO -0.04 -0.27 1.19 0.18 -0.54 0.00 0.00 174.62 175.15 2dm2 n LEU 75 N -0.69 0.07 -0.17 4.79 4.77 -1.26 0.17 117.00 124.68 2dm2 n LEU 75 Ca 0.00 1.28 -0.01 0.00 -0.03 0.00 0.00 56.01 57.25 2dm2 n LEU 75 Cb 0.53 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2dm2 n LEU 75 CO 0.46 -1.36 0.82 -0.78 -1.33 0.00 0.00 177.39 175.21 2dm2 h ASP 76 N 0.00 -0.28 -0.97 -1.43 3.58 -1.98 -0.43 116.42 114.90 2dm2 h ASP 76 Ca 0.55 0.14 0.32 0.00 0.42 0.00 0.00 57.03 58.45 2dm2 h ASP 76 Cb 1.30 0.25 -0.16 0.00 1.72 0.00 0.00 39.33 42.43 2dm2 h ASP 76 CO -0.66 -0.10 0.40 -2.24 -2.88 0.00 0.00 179.24 173.76 2dm2 h ASP 77 N 0.09 0.18 -1.63 2.28 3.04 0.13 -3.39 116.42 117.12 2dm2 h ASP 77 Ca 0.27 0.22 -0.67 0.00 -3.24 0.00 0.00 57.03 53.62 2dm2 h ASP 77 Cb 0.42 0.26 0.01 0.00 -1.04 0.00 0.00 39.33 38.97 2dm2 h ASP 77 CO -0.47 -0.26 1.15 -0.67 -2.04 0.00 0.00 179.24 176.96 2dm2 n ASP 78 N -5.22 2.79 0.00 4.15 -0.08 -0.17 -4.66 116.55 113.36 2dm2 n ASP 78 Ca 0.30 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 2dm2 n ASP 78 Cb 0.96 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 43.13 2dm2 n ASP 78 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm2 n GLY 79 N 4.99 0.14 2.95 0.27 0.00 -1.26 -5.02 105.19 107.27 2dm2 n GLY 79 Ca 0.29 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.62 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 0.02 -0.13 1.61 2.20 -1.26 -3.33 114.94 116.05 2dm2 s ASN 80 Ca 0.00 0.39 -0.06 0.00 -0.94 0.00 0.00 52.86 52.26 2dm2 s ASN 80 Cb 0.00 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.52 2dm2 s ASN 80 CO 0.00 -0.18 0.07 -0.31 -2.94 0.00 0.00 177.10 173.74 2dm2 s TYR 81 N 1.47 3.34 -0.10 1.54 1.51 -1.12 -2.59 117.35 121.40 2dm2 s TYR 81 Ca -0.06 0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2dm2 s TYR 81 Cb -0.11 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 2dm2 s TYR 81 CO -0.07 0.45 -0.13 0.99 -1.11 0.00 0.00 175.55 175.68 2dm2 s THR 82 N -0.50 1.34 -0.22 -0.71 2.01 0.04 0.63 115.64 118.24 2dm2 s THR 82 Ca 0.10 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.57 2dm2 s THR 82 Cb -0.12 -1.25 0.05 0.00 0.01 0.00 0.00 72.50 71.19 2dm2 s THR 82 CO 0.02 0.41 -0.12 -0.51 -0.69 0.00 0.00 174.62 173.73 2dm2 s ILE 83 N 1.06 1.92 -0.21 1.82 2.07 -1.23 -0.58 121.20 126.05 2dm2 s ILE 83 Ca -0.06 -1.26 -0.06 0.00 -1.41 0.00 0.00 60.65 57.86 2dm2 s ILE 83 Cb -0.15 -1.97 -0.03 0.00 0.13 0.00 0.00 42.46 40.44 2dm2 s ILE 83 CO -0.02 0.14 0.02 -0.32 -1.91 0.00 0.00 174.94 172.85 2dm2 s MET 84 N 1.26 3.66 -0.09 3.50 -2.45 -1.07 -3.58 119.30 120.53 2dm2 s MET 84 Ca -0.03 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 53.86 2dm2 s MET 84 Cb -0.17 -3.15 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 2dm2 s MET 84 CO -0.08 -0.01 0.12 0.00 1.05 0.00 0.00 175.02 176.10 2dm2 s ALA 85 N 1.09 3.77 -0.15 4.11 0.00 -1.08 -3.10 121.76 126.40 2dm2 s ALA 85 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 2dm2 s ALA 85 Cb -0.14 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2dm2 s ALA 85 CO 0.02 0.64 -0.05 0.00 0.00 0.00 0.00 175.76 176.36 2dm2 s ALA 86 N -1.06 2.94 -0.04 0.00 0.00 -0.50 -3.36 121.76 119.74 2dm2 s ALA 86 Ca 0.17 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2dm2 s ALA 86 Cb -0.12 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2dm2 s ALA 86 CO 0.06 0.24 0.16 1.21 0.00 0.00 0.00 175.76 177.43 2dm2 s ASN 87 N 0.30 -0.12 0.00 0.00 3.04 -1.20 -0.46 114.94 116.51 2dm2 s ASN 87 Ca -0.05 0.19 0.08 0.00 0.04 0.00 0.00 52.86 53.12 2dm2 s ASN 87 Cb -0.14 0.30 0.47 0.00 -1.54 0.00 0.00 41.25 40.34 2dm2 s ASN 87 CO 0.03 -0.14 0.92 -0.81 -3.04 0.00 0.00 177.10 174.06 2dm2 n PRO 88 N 2.57 0.49 0.00 0.43 -0.04 -1.26 -1.86 135.00 135.33 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 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2dm2 n PRO 88 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dm2 n GLN 89 N -0.75 2.98 0.00 0.54 6.02 -1.26 -5.10 117.38 119.81 2dm2 n GLN 89 Ca 0.06 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2dm2 n GLN 89 Cb 0.03 -0.54 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 0.46 3.96 3.21 1.08 0.00 -0.77 -4.22 105.19 108.91 2dm2 n GLY 90 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.09 2.26 0.38 1.61 1.70 -1.26 -3.23 118.95 118.32 2dm2 s ARG 91 Ca 0.00 -0.78 0.06 0.00 -0.47 0.00 0.00 55.73 54.53 2dm2 s ARG 91 Cb 0.00 -1.92 -0.07 0.00 -0.57 0.00 0.00 34.95 32.39 2dm2 s ARG 91 CO 0.00 0.32 0.03 0.96 -1.08 0.00 0.00 175.30 175.53 2dm2 s ILE 92 N -0.06 1.66 0.16 4.99 -4.36 -1.21 -5.02 121.20 117.35 2dm2 s ILE 92 Ca -0.04 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.25 2dm2 s ILE 92 Cb -0.13 -2.90 -0.00 0.00 1.25 0.00 0.00 42.46 40.68 2dm2 s ILE 92 CO 0.03 0.00 0.31 -0.94 0.24 0.00 0.00 174.94 174.58 2dm2 s SER 93 N -3.62 0.01 0.35 4.36 1.04 -1.26 -2.65 113.70 111.92 2dm2 s SER 93 Ca 0.35 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.81 2dm2 s SER 93 Cb 0.09 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.72 2dm2 s SER 93 CO 0.17 -0.90 0.84 0.00 0.98 0.00 0.00 173.24 174.33 2dm2 s THR 95 N -2.27 0.15 0.27 0.00 2.01 -1.26 -3.50 115.64 111.04 2dm2 s THR 95 Ca 0.17 -1.27 0.04 0.00 0.31 0.00 0.00 61.69 60.93 2dm2 s THR 95 Cb -0.05 -1.17 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 2dm2 s THR 95 CO 0.10 -0.70 0.02 -0.83 -0.69 0.00 0.00 174.62 172.52 2dm2 s GLY 96 N -2.53 1.75 -0.01 4.40 0.00 0.21 -4.73 107.32 106.41 2dm2 s GLY 96 Ca 0.01 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.86 2dm2 s GLY 96 CO -0.08 -1.72 -0.02 -1.60 0.00 0.00 0.00 173.10 169.69 2dm2 s ARG 97 N -3.88 0.22 0.12 2.90 6.06 -1.26 -2.81 118.95 120.30 2dm2 s ARG 97 Ca 0.32 -0.04 0.10 0.00 -2.50 0.00 0.00 55.73 53.61 2dm2 s ARG 97 Cb 0.07 -0.27 -0.04 0.00 0.06 0.00 0.00 34.95 34.77 2dm2 s ARG 97 CO 0.12 0.00 -0.25 -0.51 -2.50 0.00 0.00 175.30 172.16 2dm2 s LEU 98 N 0.23 2.31 -0.31 -0.88 1.43 -1.21 -4.24 118.68 116.00 2dm2 s LEU 98 Ca -0.02 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.37 2dm2 s LEU 98 Cb -0.04 -1.12 0.09 0.00 0.03 0.00 0.00 46.19 45.16 2dm2 s LEU 98 CO -0.01 0.14 0.06 -0.04 0.23 0.00 0.00 176.35 176.74 2dm2 s MET 99 N -1.99 1.11 -0.19 1.70 -1.94 -1.20 -4.38 119.30 112.41 2dm2 s MET 99 Ca 0.12 -1.36 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 2dm2 s MET 99 Cb -0.10 -2.53 0.00 0.00 2.01 0.00 0.00 34.83 34.22 2dm2 s MET 99 CO 0.05 -0.92 -0.12 0.08 -0.01 0.00 0.00 175.02 174.11 2dm2 s VAL 100 N 1.32 2.80 -0.18 -6.03 1.01 -1.25 -1.51 120.40 116.57 2dm2 s VAL 100 Ca 0.08 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2dm2 s VAL 100 Cb -0.18 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2dm2 s VAL 100 CO -0.16 0.48 0.06 -1.10 0.00 0.00 0.00 175.10 174.38 2dm2 s GLN 101 N 1.25 3.94 -0.35 2.72 -1.52 -1.14 -4.85 119.66 119.71 2dm2 s GLN 101 Ca 0.03 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 52.79 2dm2 s GLN 101 Cb -0.14 -3.20 -0.09 0.00 -0.22 0.00 0.00 33.01 29.36 2dm2 s GLN 101 CO -0.06 0.30 2.27 0.00 -0.25 0.00 0.00 175.29 177.55 2dm2 n ALA 102 N 3.46 1.27 -0.07 6.09 0.00 -1.26 -1.75 120.51 128.25 2dm2 n ALA 102 Ca -0.17 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 52.91 2dm2 n ALA 102 Cb 0.52 -2.81 -0.12 0.00 0.00 0.00 0.00 19.45 17.04 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 7.59 0.95 -0.25 0.00 3.14 -1.26 -4.51 118.33 123.99 2dm2 n VAL 103 Ca 0.37 -0.63 0.01 0.00 -2.96 0.00 0.00 64.34 61.13 2dm2 n VAL 103 Cb 0.36 -0.51 0.13 0.00 -1.06 0.00 0.00 33.84 32.77 2dm2 n VAL 103 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2dm2 h ASN 104 N 0.00 0.51 -1.68 6.55 -1.07 -1.86 -3.42 115.58 114.61 2dm2 h ASN 104 Ca -0.38 0.05 -0.68 0.00 0.07 0.00 0.00 56.30 55.37 2dm2 h ASN 104 Cb 1.83 -0.04 0.05 0.00 -2.07 0.00 0.00 38.32 38.10 2dm2 h ASN 104 CO 0.02 0.30 0.46 -0.24 0.07 0.00 0.00 177.43 178.04 2dm2 n SER 105 N -4.83 1.66 0.00 6.14 2.88 -1.26 -4.80 113.62 113.40 2dm2 n SER 105 Ca 0.11 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2dm2 n SER 105 Cb 0.26 -1.19 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2dm2 n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm2 n GLY 106 N 2.53 1.74 0.00 0.46 0.00 -1.26 -4.92 105.19 103.74 2dm2 n GLY 106 Ca 0.18 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.92 2dm2 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm2 n PRO 107 N -1.31 0.49 -3.39 1.61 -0.04 -1.26 -4.85 135.00 126.24 2dm2 n PRO 107 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2dm2 n PRO 107 Cb 0.00 -1.43 0.08 0.00 -0.04 0.00 0.00 33.50 32.11 2dm2 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dm2 n SER 108 N -0.93 -3.48 -4.89 3.54 7.64 -1.26 -5.00 113.62 109.24 2dm2 n SER 108 Ca 0.10 -0.66 -0.35 0.00 1.01 0.00 0.00 58.87 58.97 2dm2 n SER 108 Cb 0.05 -5.09 -0.05 0.00 -1.01 0.00 0.00 64.21 58.10 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 -4.05 6.34 0.00 6.43 1.04 -1.26 -5.28 113.70 116.92 2dm2 s SER 109 Ca 0.15 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2dm2 s SER 109 Cb -0.02 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2dm2 s SER 109 CO 0.74 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.89