#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm7 s SER 2 N 0.00 4.93 -0.58 1.61 1.04 -1.26 -5.02 113.70 114.43 2dm7 s SER 2 Ca 0.00 0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.42 2dm7 s SER 2 Cb 0.00 -1.28 0.36 0.00 0.10 0.00 0.00 66.02 65.19 2dm7 s SER 2 CO 0.00 0.33 2.07 -1.20 0.98 0.00 0.00 173.24 175.42 2dm7 n SER 3 N 1.87 7.29 -2.43 7.02 7.64 -1.26 -4.94 113.62 128.81 2dm7 n SER 3 Ca -0.17 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.15 2dm7 n SER 3 Cb 0.53 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2dm7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm7 n GLY 4 N -0.44 0.05 0.30 0.23 0.00 -1.26 -5.06 105.19 99.00 2dm7 n GLY 4 Ca 0.52 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.78 2dm7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm7 n SER 5 N 0.00 2.27 -4.54 1.61 2.88 -1.26 -4.94 113.62 109.65 2dm7 n SER 5 Ca 0.00 0.02 -0.43 0.00 -1.33 0.00 0.00 58.87 57.13 2dm7 n SER 5 Cb 0.00 -0.21 -0.05 0.00 -0.75 0.00 0.00 64.21 63.21 2dm7 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm7 s SER 6 N -5.30 6.40 0.00 -3.46 0.01 -1.26 -4.96 113.70 105.13 2dm7 s SER 6 Ca -0.13 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2dm7 s SER 6 Cb 0.04 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2dm7 s SER 6 CO 0.20 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2dm7 n GLY 7 N 5.03 2.16 3.60 3.44 0.00 -1.26 -5.15 105.19 113.01 2dm7 n GLY 7 Ca 0.03 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2dm7 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm7 s PRO 8 N -1.61 -1.09 0.92 1.61 0.04 -1.26 -5.04 135.00 128.57 2dm7 s PRO 8 Ca 0.00 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.90 2dm7 s PRO 8 Cb 0.00 -1.61 0.15 0.00 0.04 0.00 0.00 34.50 33.08 2dm7 s PRO 8 CO 0.00 -3.63 1.13 0.00 0.04 0.00 0.00 177.00 174.53 2dm7 s ALA 9 N -3.00 1.64 -0.01 8.56 0.00 -1.26 -4.95 121.76 122.74 2dm7 s ALA 9 Ca 0.70 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.18 2dm7 s ALA 9 Cb -0.11 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2dm7 s ALA 9 CO 0.56 -2.37 -0.04 -0.98 0.00 0.00 0.00 175.76 172.92 2dm7 s ARG 10 N -5.22 0.42 0.40 0.00 1.70 -1.26 -4.54 118.95 110.44 2dm7 s ARG 10 Ca 0.64 -0.15 -0.27 0.00 -0.47 0.00 0.00 55.73 55.48 2dm7 s ARG 10 Cb -0.15 -0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 33.70 2dm7 s ARG 10 CO 0.54 0.07 1.37 1.19 -1.08 0.00 0.00 175.30 177.40 2dm7 n PHE 11 N 3.13 2.53 -0.00 5.89 3.72 -1.26 -0.22 117.46 131.25 2dm7 n PHE 11 Ca -0.15 0.48 0.01 0.00 -0.05 0.00 0.00 57.45 57.74 2dm7 n PHE 11 Cb 0.57 -2.45 -0.02 0.00 -0.94 0.00 0.00 39.48 36.65 2dm7 n PHE 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2dm7 n THR 12 N 0.08 0.02 -3.91 4.37 -2.24 -1.22 -4.78 114.28 106.62 2dm7 n THR 12 Ca 0.04 -0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 2dm7 n THR 12 Cb 0.39 0.23 -0.17 0.00 -2.10 0.00 0.00 70.33 68.68 2dm7 n THR 12 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2dm7 s GLN 13 N -2.14 0.75 0.40 -0.78 -1.52 -1.26 -5.04 119.66 110.08 2dm7 s GLN 13 Ca -0.01 0.01 -0.23 0.00 -1.95 0.00 0.00 55.36 53.18 2dm7 s GLN 13 Cb 0.01 -0.97 -0.13 0.00 -0.22 0.00 0.00 33.01 31.71 2dm7 s GLN 13 CO 0.09 -0.23 0.67 -0.25 -0.25 0.00 0.00 175.29 175.32 2dm7 n ASP 14 N 4.76 -0.33 -4.75 5.90 8.00 -1.26 -3.93 116.55 124.93 2dm7 n ASP 14 Ca -0.14 0.97 -0.41 0.00 0.71 0.00 0.00 54.79 55.92 2dm7 n ASP 14 Cb 0.50 -1.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.42 2dm7 n ASP 14 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dm7 s LEU 15 N 1.28 4.38 0.43 0.64 0.20 -1.26 -4.83 118.68 119.53 2dm7 s LEU 15 Ca 0.63 2.73 0.07 0.00 0.69 0.00 0.00 54.13 58.25 2dm7 s LEU 15 Cb -0.62 -3.63 -0.03 0.00 -0.43 0.00 0.00 46.19 41.47 2dm7 s LEU 15 CO 0.58 -0.71 0.26 -1.59 -0.29 0.00 0.00 176.35 174.60 2dm7 s LYS 16 N -0.76 2.33 0.33 1.98 0.00 -1.03 -4.67 119.74 117.92 2dm7 s LYS 16 Ca 0.57 -1.77 -0.19 0.00 0.00 0.00 0.00 55.97 54.59 2dm7 s LYS 16 Cb -0.42 -2.11 0.04 0.00 0.00 0.00 0.00 37.83 35.33 2dm7 s LYS 16 CO 0.47 -0.20 0.76 -0.08 0.00 0.00 0.00 175.35 176.30 2dm7 s THR 17 N -2.58 0.00 0.30 3.79 -1.32 -1.26 -3.64 115.64 110.93 2dm7 s THR 17 Ca 0.42 -0.99 0.03 0.00 -1.21 0.00 0.00 61.69 59.94 2dm7 s THR 17 Cb 0.01 -2.43 -0.06 0.00 -1.51 0.00 0.00 72.50 68.51 2dm7 s THR 17 CO 0.24 0.00 0.06 -1.59 -2.21 0.00 0.00 174.62 171.12 2dm7 s LYS 18 N -3.12 1.57 -0.32 7.08 0.00 -1.26 -5.01 119.74 118.68 2dm7 s LYS 18 Ca 0.13 -1.86 -0.05 0.00 0.00 0.00 0.00 55.97 54.20 2dm7 s LYS 18 Cb -0.05 -0.69 0.04 0.00 0.00 0.00 0.00 37.83 37.13 2dm7 s LYS 18 CO 0.09 -0.21 0.06 -2.00 0.00 0.00 0.00 175.35 173.29 2dm7 s GLU 19 N -3.93 2.55 0.36 1.78 2.12 -1.26 -3.81 118.70 116.51 2dm7 s GLU 19 Ca 0.36 -1.21 0.09 0.00 0.36 0.00 0.00 54.97 54.57 2dm7 s GLU 19 Cb 0.08 -3.35 -0.07 0.00 0.26 0.00 0.00 34.13 31.05 2dm7 s GLU 19 CO 0.15 -0.65 -0.04 0.00 -0.54 0.00 0.00 175.26 174.18 2dm7 s ALA 20 N 1.35 3.07 0.43 6.30 0.00 -1.10 -4.98 121.76 126.83 2dm7 s ALA 20 Ca -0.03 -2.12 0.01 0.00 0.00 0.00 0.00 51.96 49.83 2dm7 s ALA 20 Cb -0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 2dm7 s ALA 20 CO 0.01 0.02 0.63 0.45 0.00 0.00 0.00 175.76 176.88 2dm7 s SER 21 N -3.66 5.87 0.26 0.00 0.15 -1.26 -1.28 113.70 113.77 2dm7 s SER 21 Ca 0.34 0.20 -0.28 0.00 0.70 0.00 0.00 55.95 56.90 2dm7 s SER 21 Cb 0.04 -1.49 -0.15 0.00 -1.71 0.00 0.00 66.02 62.71 2dm7 s SER 21 CO 0.18 -0.64 0.91 -0.62 1.20 0.00 0.00 173.24 174.26 2dm7 n GLU 22 N -1.99 1.01 0.00 5.44 1.02 0.11 -0.22 120.64 126.00 2dm7 n GLU 22 Ca 0.01 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 2dm7 n GLU 22 Cb 0.58 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2dm7 n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm7 n GLY 23 N 1.47 2.98 3.75 0.62 0.00 -0.98 -4.88 105.19 108.15 2dm7 n GLY 23 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2dm7 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dm7 s ALA 24 N -1.55 1.37 -0.16 4.61 0.00 0.69 -3.88 121.76 122.83 2dm7 s ALA 24 Ca 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2dm7 s ALA 24 Cb 0.00 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2dm7 s ALA 24 CO 0.00 -2.99 -0.18 0.99 0.00 0.00 0.00 175.76 173.58 2dm7 s THR 25 N -3.38 1.85 0.96 0.00 2.01 -1.26 -0.95 115.64 114.87 2dm7 s THR 25 Ca 0.71 -0.81 -0.16 0.00 0.31 0.00 0.00 61.69 61.74 2dm7 s THR 25 Cb -0.08 -1.69 0.20 0.00 0.01 0.00 0.00 72.50 70.94 2dm7 s THR 25 CO 0.55 0.51 1.32 0.00 -0.69 0.00 0.00 174.62 176.30 2dm7 s ALA 26 N 1.33 2.27 -0.28 7.40 0.00 -1.20 -4.88 121.76 126.40 2dm7 s ALA 26 Ca 0.04 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2dm7 s ALA 26 Cb -0.13 -2.75 0.18 0.00 0.00 0.00 0.00 23.12 20.41 2dm7 s ALA 26 CO -0.11 -2.42 0.53 0.99 0.00 0.00 0.00 175.76 174.75 2dm7 s THR 27 N -3.87 -0.88 -0.10 0.00 2.01 -1.25 -3.63 115.64 107.91 2dm7 s THR 27 Ca 0.74 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 62.70 2dm7 s THR 27 Cb -0.04 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 2dm7 s THR 27 CO 0.53 -0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.57 2dm7 s LEU 28 N 2.76 3.04 0.06 4.42 1.02 -0.20 -4.11 118.68 125.67 2dm7 s LEU 28 Ca 0.17 -0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.26 2dm7 s LEU 28 Cb -0.14 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 2dm7 s LEU 28 CO -0.21 0.26 -0.23 -1.10 0.02 0.00 0.00 176.35 175.09 2dm7 s GLN 29 N -0.20 1.53 -0.07 1.70 -0.21 -1.24 -0.24 119.66 120.93 2dm7 s GLN 29 Ca 0.02 -1.06 -0.04 0.00 0.02 0.00 0.00 55.36 54.30 2dm7 s GLN 29 Cb -0.13 -1.71 0.03 0.00 1.00 0.00 0.00 33.01 32.20 2dm7 s GLN 29 CO 0.03 0.43 0.16 0.00 -2.12 0.00 0.00 175.29 173.79 2dm7 s GLU 31 N 0.72 3.57 0.02 0.00 2.12 -1.25 -2.41 118.70 121.46 2dm7 s GLU 31 Ca -0.05 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.22 2dm7 s GLU 31 Cb -0.07 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 2dm7 s GLU 31 CO -0.04 0.11 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.24 2dm7 s LEU 32 N -4.04 2.17 0.56 2.70 1.43 -1.06 -3.38 118.68 117.05 2dm7 s LEU 32 Ca 0.43 -0.37 0.26 0.00 -1.03 0.00 0.00 54.13 53.42 2dm7 s LEU 32 Cb -0.10 -0.01 1.48 0.00 0.03 0.00 0.00 46.19 47.59 2dm7 s LEU 32 CO 0.35 -0.19 2.04 -1.28 0.23 0.00 0.00 176.35 177.50 2dm7 h SER 33 N 5.06 0.00 -4.88 2.29 0.87 -0.90 -3.44 113.55 112.55 2dm7 h SER 33 Ca -0.31 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2dm7 h SER 33 Cb 1.21 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.03 2dm7 h SER 33 CO 0.44 0.00 0.30 -1.59 -0.53 0.00 0.00 176.83 175.45 2dm7 s LYS 34 N -4.85 1.12 -0.15 2.24 -2.85 -1.26 -4.95 119.74 109.03 2dm7 s LYS 34 Ca -0.05 -0.37 -0.29 0.00 -1.00 0.00 0.00 55.97 54.26 2dm7 s LYS 34 Cb 0.17 0.52 -0.06 0.00 -2.06 0.00 0.00 37.83 36.40 2dm7 s LYS 34 CO 0.64 -0.48 2.17 0.28 0.10 0.00 0.00 175.35 178.06 2dm7 n VAL 35 N -0.25 0.45 -3.72 1.79 0.31 -1.26 -4.74 118.33 110.90 2dm7 n VAL 35 Ca -0.15 -0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 63.66 2dm7 n VAL 35 Cb 0.64 -2.51 -0.09 0.00 -0.91 0.00 0.00 33.84 30.96 2dm7 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dm7 s ALA 36 N 7.40 -0.98 -0.01 3.52 0.00 -1.26 -5.00 121.76 125.43 2dm7 s ALA 36 Ca 0.98 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 53.34 2dm7 s ALA 36 Cb -0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 2dm7 s ALA 36 CO 0.37 -0.25 1.46 -1.25 0.00 0.00 0.00 175.76 176.08 2dm7 s PRO 37 N -0.85 4.25 0.50 0.00 0.04 -1.26 -5.02 135.00 132.67 2dm7 s PRO 37 Ca -0.09 2.02 0.02 0.00 0.04 0.00 0.00 61.00 62.99 2dm7 s PRO 37 Cb -0.04 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 2dm7 s PRO 37 CO 0.04 -0.65 0.01 0.14 0.04 0.00 0.00 177.00 176.58 2dm7 s VAL 38 N 2.75 1.25 -0.01 -0.36 -7.23 -1.26 -4.73 120.40 110.80 2dm7 s VAL 38 Ca 0.66 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 2dm7 s VAL 38 Cb -0.32 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.39 2dm7 s VAL 38 CO 0.27 0.00 0.03 -0.70 -0.31 0.00 0.00 175.10 174.39 2dm7 s GLU 39 N -3.87 0.01 -0.01 4.82 2.56 -1.11 -5.04 118.70 116.06 2dm7 s GLU 39 Ca 0.09 0.10 -0.12 0.00 0.00 0.00 0.00 54.97 55.04 2dm7 s GLU 39 Cb 0.02 -0.08 -0.05 0.00 2.00 0.00 0.00 34.13 36.02 2dm7 s GLU 39 CO 0.05 -0.06 0.33 -1.58 -0.56 0.00 0.00 175.26 173.44 2dm7 s TRP 40 N 0.39 3.67 0.05 5.30 0.52 -1.26 -2.24 118.94 125.37 2dm7 s TRP 40 Ca -0.03 0.83 0.05 0.00 0.02 0.00 0.00 56.10 56.97 2dm7 s TRP 40 Cb -0.05 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 2dm7 s TRP 40 CO -0.01 0.65 -0.15 0.15 0.02 0.00 0.00 176.95 177.61 2dm7 s LYS 41 N -1.24 0.91 -0.10 4.98 1.02 0.13 -3.07 119.74 122.37 2dm7 s LYS 41 Ca 0.23 -0.85 0.13 0.00 0.02 0.00 0.00 55.97 55.51 2dm7 s LYS 41 Cb -0.15 -0.93 0.35 0.00 -0.52 0.00 0.00 37.83 36.58 2dm7 s LYS 41 CO 0.12 0.22 1.26 1.17 -0.92 0.00 0.00 175.35 177.20 2dm7 n LYS 42 N 1.63 2.58 0.00 1.68 4.81 -1.26 -2.01 118.16 125.60 2dm7 n LYS 42 Ca -0.19 -2.39 0.00 0.00 -0.87 0.00 0.00 58.31 54.86 2dm7 n LYS 42 Cb 0.54 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.09 2dm7 n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dm7 n GLY 43 N -0.44 0.16 0.00 3.14 0.00 -1.26 -4.82 105.19 101.96 2dm7 n GLY 43 Ca 0.15 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 45.15 2dm7 n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm7 n PRO 44 N 0.00 0.49 -4.75 1.61 -0.04 -1.26 -4.74 135.00 126.31 2dm7 n PRO 44 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2dm7 n PRO 44 Cb 0.00 -1.29 -0.08 0.00 -0.04 0.00 0.00 33.50 32.09 2dm7 n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dm7 s GLU 45 N -2.00 2.18 -0.03 0.54 0.41 -1.26 -5.15 118.70 113.38 2dm7 s GLU 45 Ca 0.14 -2.39 0.06 0.00 -0.41 0.00 0.00 54.97 52.37 2dm7 s GLU 45 Cb 0.06 -1.51 -0.02 0.00 -1.78 0.00 0.00 34.13 30.88 2dm7 s GLU 45 CO 0.11 -0.35 -0.22 0.99 -0.49 0.00 0.00 175.26 175.29 2dm7 s THR 46 N -2.88 2.38 0.36 3.63 2.01 -1.26 -4.16 115.64 115.72 2dm7 s THR 46 Ca 0.07 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.15 2dm7 s THR 46 Cb 0.02 -1.87 0.06 0.00 0.01 0.00 0.00 72.50 70.72 2dm7 s THR 46 CO 0.04 0.58 0.49 0.18 -0.69 0.00 0.00 174.62 175.22 2dm7 n LEU 47 N 2.46 0.00 -3.83 4.42 4.77 -1.18 -4.98 117.00 118.67 2dm7 n LEU 47 Ca -0.17 -1.55 -0.09 0.00 -0.03 0.00 0.00 56.01 54.17 2dm7 n LEU 47 Cb 0.51 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 2dm7 n LEU 47 CO 0.24 -0.63 0.30 -0.13 -1.33 0.00 0.00 177.39 175.84 2dm7 s ARG 48 N -3.62 1.52 -0.35 3.23 0.52 -1.26 -4.85 118.95 114.13 2dm7 s ARG 48 Ca 0.37 -0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 2dm7 s ARG 48 Cb -0.03 0.53 0.01 0.00 0.52 0.00 0.00 34.95 35.98 2dm7 s ARG 48 CO 0.24 -0.65 0.19 0.16 0.02 0.00 0.00 175.30 175.25 2dm7 s ASP 49 N -2.92 5.68 0.00 0.23 -4.77 -1.26 -4.70 116.67 108.93 2dm7 s ASP 49 Ca 0.13 -0.77 0.00 0.00 -3.30 0.00 0.00 52.55 48.60 2dm7 s ASP 49 Cb -0.02 -2.02 0.00 0.00 -1.09 0.00 0.00 42.92 39.79 2dm7 s ASP 49 CO 0.02 -0.30 0.00 0.61 0.70 0.00 0.00 175.17 176.20 2dm7 n GLY 50 N 5.00 -0.73 0.00 2.12 0.00 -0.99 -5.00 105.19 105.59 2dm7 n GLY 50 Ca -0.13 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2dm7 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm7 n GLY 51 N 0.00 0.28 0.33 -0.02 0.00 -1.26 -4.77 105.19 99.75 2dm7 n GLY 51 Ca 0.00 -1.30 0.06 0.00 0.00 0.00 0.00 46.02 44.78 2dm7 n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dm7 h ARG 52 N 0.00 0.79 -4.85 1.61 2.43 -1.96 -3.36 114.38 109.04 2dm7 h ARG 52 Ca 0.00 -0.05 -0.69 0.00 -0.81 0.00 0.00 59.98 58.43 2dm7 h ARG 52 Cb 0.00 -0.18 -0.19 0.00 -0.42 0.00 0.00 29.97 29.19 2dm7 h ARG 52 CO 0.00 0.52 -0.25 0.71 -1.51 0.00 0.00 179.97 179.44 2dm7 s TYR 53 N -5.98 3.19 -0.24 2.20 2.02 -1.26 -0.76 117.35 116.52 2dm7 s TYR 53 Ca -0.12 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 2dm7 s TYR 53 Cb 0.21 -2.80 0.01 0.00 -0.40 0.00 0.00 41.96 38.99 2dm7 s TYR 53 CO 0.79 -0.62 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.98 2dm7 s SER 54 N 1.78 4.27 -0.10 2.29 0.01 0.45 -2.35 113.70 120.06 2dm7 s SER 54 Ca 0.11 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2dm7 s SER 54 Cb -0.17 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.39 2dm7 s SER 54 CO 0.13 -0.09 -0.10 -1.48 0.41 0.00 0.00 173.24 172.11 2dm7 s LEU 55 N 1.39 1.41 -0.12 2.44 2.34 -1.26 0.64 118.68 125.51 2dm7 s LEU 55 Ca 0.03 -0.31 -0.00 0.00 0.06 0.00 0.00 54.13 53.90 2dm7 s LEU 55 Cb -0.16 -0.86 -0.02 0.00 -0.56 0.00 0.00 46.19 44.60 2dm7 s LEU 55 CO -0.04 -0.05 -0.12 -0.75 -1.06 0.00 0.00 176.35 174.33 2dm7 s LYS 56 N 1.26 3.33 0.19 1.48 2.47 -0.24 -4.97 119.74 123.25 2dm7 s LYS 56 Ca -0.03 -0.66 -0.08 0.00 -1.56 0.00 0.00 55.97 53.63 2dm7 s LYS 56 Cb -0.14 -2.64 -0.07 0.00 -1.46 0.00 0.00 37.83 33.52 2dm7 s LYS 56 CO -0.03 0.27 0.49 -1.14 0.16 0.00 0.00 175.35 175.09 2dm7 s GLN 57 N 0.22 3.75 0.31 4.03 0.74 -1.26 -1.31 119.66 126.15 2dm7 s GLN 57 Ca -0.08 0.17 -0.04 0.00 0.05 0.00 0.00 55.36 55.47 2dm7 s GLN 57 Cb -0.15 -2.73 -0.00 0.00 1.10 0.00 0.00 33.01 31.22 2dm7 s GLN 57 CO 0.05 0.38 0.44 0.34 -0.55 0.00 0.00 175.29 175.95 2dm7 s ASP 58 N -2.33 0.69 -0.68 6.67 2.15 0.14 -4.97 116.67 118.34 2dm7 s ASP 58 Ca 0.44 -1.39 -0.35 0.00 0.43 0.00 0.00 52.55 51.69 2dm7 s ASP 58 Cb -0.12 0.62 -0.17 0.00 -0.30 0.00 0.00 42.92 42.95 2dm7 s ASP 58 CO 0.22 -1.23 2.42 0.61 -0.17 0.00 0.00 175.17 177.02 2dm7 n GLY 59 N -0.51 -0.13 2.94 2.66 0.00 -1.26 -0.71 105.19 108.18 2dm7 n GLY 59 Ca 0.01 1.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.97 2dm7 n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dm7 n THR 60 N 7.25 -0.09 -3.60 2.61 -2.24 -1.26 -4.85 114.28 112.09 2dm7 n THR 60 Ca 0.55 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.25 2dm7 n THR 60 Cb 0.12 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 67.95 2dm7 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dm7 s ARG 61 N -5.49 0.34 0.18 -0.78 0.52 0.12 -2.57 118.95 111.26 2dm7 s ARG 61 Ca 0.18 0.98 0.06 0.00 -0.52 0.00 0.00 55.73 56.44 2dm7 s ARG 61 Cb -0.11 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 2dm7 s ARG 61 CO 0.22 -0.31 0.07 0.00 0.02 0.00 0.00 175.30 175.30 2dm7 s GLU 63 N -3.08 0.35 -0.17 0.00 2.12 -0.43 -2.74 118.70 114.76 2dm7 s GLU 63 Ca 0.29 0.17 -0.05 0.00 0.36 0.00 0.00 54.97 55.74 2dm7 s GLU 63 Cb -0.09 -0.73 -0.03 0.00 0.26 0.00 0.00 34.13 33.54 2dm7 s GLU 63 CO 0.21 -0.27 0.01 -1.17 -0.54 0.00 0.00 175.26 173.50 2dm7 s LEU 64 N 1.78 3.48 -0.11 2.70 2.96 0.67 -1.08 118.68 129.08 2dm7 s LEU 64 Ca 0.01 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2dm7 s LEU 64 Cb -0.13 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.72 2dm7 s LEU 64 CO -0.04 0.17 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.93 2dm7 s GLN 65 N 0.40 2.00 -0.38 1.98 -0.21 0.21 -1.03 119.66 122.63 2dm7 s GLN 65 Ca -0.01 -0.47 -0.10 0.00 0.02 0.00 0.00 55.36 54.80 2dm7 s GLN 65 Cb -0.13 -1.77 0.04 0.00 1.00 0.00 0.00 33.01 32.15 2dm7 s GLN 65 CO 0.02 -0.11 0.21 0.42 -2.12 0.00 0.00 175.29 173.71 2dm7 s ILE 66 N 1.13 4.38 0.33 1.08 1.01 -1.24 -0.41 121.20 127.48 2dm7 s ILE 66 Ca -0.04 -1.05 -0.25 0.00 0.00 0.00 0.00 60.65 59.31 2dm7 s ILE 66 Cb -0.14 -3.52 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 2dm7 s ILE 66 CO -0.03 -0.31 0.93 -1.00 0.00 0.00 0.00 174.94 174.53 2dm7 s HIS 67 N 1.50 3.63 -1.17 3.97 3.76 0.06 -3.22 115.29 123.82 2dm7 s HIS 67 Ca 0.02 1.72 -0.02 0.00 -0.15 0.00 0.00 55.06 56.63 2dm7 s HIS 67 Cb -0.20 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.58 2dm7 s HIS 67 CO 0.05 0.17 0.95 -3.47 -0.85 0.00 0.00 174.74 171.59 2dm7 n ASP 68 N 0.38 -3.17 -3.71 1.40 2.03 -1.24 -4.83 116.55 107.41 2dm7 n ASP 68 Ca 0.02 -0.66 -0.19 0.00 0.52 0.00 0.00 54.79 54.48 2dm7 n ASP 68 Cb 0.51 -5.04 0.13 0.00 -0.72 0.00 0.00 41.12 36.00 2dm7 n ASP 68 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dm7 n LEU 69 N -3.92 -1.60 -3.57 -2.67 4.77 -0.13 -4.58 117.00 105.30 2dm7 n LEU 69 Ca -0.23 -0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 2dm7 n LEU 69 Cb 0.66 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 2dm7 n LEU 69 CO 0.61 -3.10 0.84 -0.55 -1.33 0.00 0.00 177.39 173.86 2dm7 s SER 70 N -1.84 -0.29 0.47 -1.43 0.15 -1.26 -2.32 113.70 107.17 2dm7 s SER 70 Ca 0.36 0.19 0.28 0.00 0.70 0.00 0.00 55.95 57.48 2dm7 s SER 70 Cb -0.05 0.27 1.54 0.00 -1.71 0.00 0.00 66.02 66.06 2dm7 s SER 70 CO 0.37 -0.36 1.85 -0.37 1.20 0.00 0.00 173.24 175.93 2dm7 h VAL 71 N 2.27 0.00 0.06 4.45 -1.51 -1.90 0.15 116.25 119.77 2dm7 h VAL 71 Ca -0.16 0.00 -0.28 0.00 -1.23 0.00 0.00 66.70 65.03 2dm7 h VAL 71 Cb 1.18 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 2dm7 h VAL 71 CO 0.29 0.00 -1.46 0.00 -1.23 0.00 0.00 177.57 175.16 2dm7 h ALA 72 N 1.81 0.42 0.00 5.19 0.00 -1.97 -3.30 119.26 121.41 2dm7 h ALA 72 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 54.91 53.72 2dm7 h ALA 72 Cb 0.16 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dm7 h ALA 72 CO 0.00 1.28 -0.13 -0.44 0.00 0.00 0.00 179.25 179.96 2dm7 h ASP 73 N 0.03 0.00 -1.93 0.00 5.19 -1.35 -3.41 116.42 114.96 2dm7 h ASP 73 Ca -0.20 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.70 2dm7 h ASP 73 Cb 1.96 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.46 2dm7 h ASP 73 CO 0.13 0.13 1.48 0.00 -3.12 0.00 0.00 179.24 177.87 2dm7 s ALA 74 N -4.17 2.12 0.00 3.45 0.00 -1.17 -4.70 121.76 117.29 2dm7 s ALA 74 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2dm7 s ALA 74 Cb 0.13 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2dm7 s ALA 74 CO 0.59 -3.79 0.00 0.41 0.00 0.00 0.00 175.76 172.97 2dm7 n GLY 75 N 5.80 2.61 2.63 0.00 0.00 -1.24 -4.97 105.19 110.02 2dm7 n GLY 75 Ca 0.29 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 2dm7 n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dm7 s GLU 76 N 2.98 0.12 -0.24 1.61 2.12 -1.26 -2.51 118.70 121.51 2dm7 s GLU 76 Ca 0.00 -0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.13 2dm7 s GLU 76 Cb 0.00 -1.74 -0.05 0.00 0.26 0.00 0.00 34.13 32.61 2dm7 s GLU 76 CO 0.00 -0.63 0.26 0.71 -0.54 0.00 0.00 175.26 175.05 2dm7 s TYR 77 N 2.11 3.30 0.04 5.30 1.51 -0.10 -4.45 117.35 125.06 2dm7 s TYR 77 Ca 0.02 0.33 0.08 0.00 -1.01 0.00 0.00 57.07 56.48 2dm7 s TYR 77 Cb -0.16 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 2dm7 s TYR 77 CO -0.08 -0.04 -0.20 -1.12 -1.11 0.00 0.00 175.55 172.99 2dm7 s SER 78 N 1.28 3.65 -0.19 2.29 0.01 -0.85 -0.04 113.70 119.84 2dm7 s SER 78 Ca 0.11 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.92 2dm7 s SER 78 Cb -0.15 -0.53 0.04 0.00 0.21 0.00 0.00 66.02 65.59 2dm7 s SER 78 CO 0.07 0.25 -0.14 0.00 0.41 0.00 0.00 173.24 173.84 2dm7 s MET 80 N 1.34 4.26 -0.37 0.00 -1.94 -0.95 -2.90 119.30 118.74 2dm7 s MET 80 Ca 0.00 0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 2dm7 s MET 80 Cb -0.15 -3.46 0.12 0.00 2.01 0.00 0.00 34.83 33.35 2dm7 s MET 80 CO -0.09 0.14 0.17 0.00 -0.01 0.00 0.00 175.02 175.23 2dm7 n GLY 82 N 4.21 1.95 0.46 0.00 0.00 -1.26 -3.29 105.19 107.27 2dm7 n GLY 82 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2dm7 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm7 n GLN 83 N 0.00 0.00 -0.57 1.61 10.64 -1.26 -5.04 117.38 122.76 2dm7 n GLN 83 Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 2dm7 n GLN 83 Cb 0.00 -0.71 0.26 0.00 -0.86 0.00 0.00 30.24 28.92 2dm7 n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2dm7 s GLU 84 N -1.89 -1.18 -0.28 2.61 8.01 -1.21 -5.07 118.70 119.69 2dm7 s GLU 84 Ca 0.00 0.69 -0.21 0.00 0.01 0.00 0.00 54.97 55.46 2dm7 s GLU 84 Cb 0.00 -1.53 0.10 0.00 -4.31 0.00 0.00 34.13 28.38 2dm7 s GLU 84 CO 0.00 -3.86 0.83 0.50 0.01 0.00 0.00 175.26 172.75 2dm7 s ARG 85 N -4.56 0.65 0.19 1.61 3.52 -1.26 -3.03 118.95 116.07 2dm7 s ARG 85 Ca 0.68 0.90 0.05 0.00 -0.13 0.00 0.00 55.73 57.23 2dm7 s ARG 85 Cb -0.23 0.25 -0.05 0.00 -1.56 0.00 0.00 34.95 33.36 2dm7 s ARG 85 CO 0.64 -0.10 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.87 2dm7 s THR 86 N 0.79 1.28 0.02 4.11 -1.32 -1.14 -4.99 115.64 114.39 2dm7 s THR 86 Ca -0.03 -2.09 0.01 0.00 -1.21 0.00 0.00 61.69 58.37 2dm7 s THR 86 Cb -0.05 -2.08 -0.02 0.00 -1.51 0.00 0.00 72.50 68.84 2dm7 s THR 86 CO -0.08 -0.56 -0.04 -0.94 -2.21 0.00 0.00 174.62 170.79 2dm7 s SER 87 N -3.26 0.39 -0.06 8.08 1.04 -1.26 -1.39 113.70 117.24 2dm7 s SER 87 Ca 0.22 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 2dm7 s SER 87 Cb 0.03 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.27 2dm7 s SER 87 CO 0.05 -0.27 0.11 0.00 0.98 0.00 0.00 173.24 174.11 2dm7 s ALA 88 N -1.41 -0.03 -0.50 5.32 0.00 0.94 -4.52 121.76 121.55 2dm7 s ALA 88 Ca -0.14 0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.99 2dm7 s ALA 88 Cb -0.10 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.45 2dm7 s ALA 88 CO -0.01 -0.40 1.01 0.99 0.00 0.00 0.00 175.76 177.36 2dm7 s THR 89 N 1.86 4.34 0.25 0.00 2.01 -1.26 -0.93 115.64 121.90 2dm7 s THR 89 Ca -0.01 0.80 -0.21 0.00 0.31 0.00 0.00 61.69 62.58 2dm7 s THR 89 Cb -0.12 -4.53 -0.09 0.00 0.01 0.00 0.00 72.50 67.77 2dm7 s THR 89 CO -0.05 -0.99 0.77 -0.22 -0.69 0.00 0.00 174.62 173.45 2dm7 s LEU 90 N 4.11 4.33 -0.12 4.42 2.96 -1.05 -4.91 118.68 128.43 2dm7 s LEU 90 Ca 0.39 1.51 -0.00 0.00 -0.22 0.00 0.00 54.13 55.81 2dm7 s LEU 90 Cb -0.09 -3.70 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2dm7 s LEU 90 CO 0.26 0.00 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.30 2dm7 s THR 91 N -1.56 3.28 -0.04 3.68 2.01 -1.25 -3.65 115.64 118.11 2dm7 s THR 91 Ca 0.45 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.90 2dm7 s THR 91 Cb -0.17 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 2dm7 s THR 91 CO 0.21 0.53 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.82 2dm7 s VAL 92 N 0.12 1.41 -0.09 3.82 1.01 -1.26 -2.71 120.40 122.71 2dm7 s VAL 92 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2dm7 s VAL 92 Cb -0.15 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2dm7 s VAL 92 CO 0.04 0.41 -0.03 -0.13 0.00 0.00 0.00 175.10 175.39 2dm7 s ARG 93 N 0.04 2.98 0.06 2.72 1.81 -0.40 -4.90 118.95 121.26 2dm7 s ARG 93 Ca -0.04 -0.47 -0.25 0.00 -1.72 0.00 0.00 55.73 53.25 2dm7 s ARG 93 Cb -0.11 -2.74 -0.06 0.00 -0.45 0.00 0.00 34.95 31.59 2dm7 s ARG 93 CO 0.02 0.64 0.78 0.00 -0.68 0.00 0.00 175.30 176.06 2dm7 s ALA 94 N -0.71 3.37 0.68 2.13 0.00 -1.26 0.05 121.76 126.01 2dm7 s ALA 94 Ca 0.11 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2dm7 s ALA 94 Cb -0.11 -3.01 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 2dm7 s ALA 94 CO 0.02 0.08 0.12 1.28 0.00 0.00 0.00 175.76 177.25 2dm7 n LEU 95 N 2.71 -1.67 -4.77 0.00 4.77 -1.26 -4.89 117.00 111.90 2dm7 n LEU 95 Ca -0.02 0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 56.13 2dm7 n LEU 95 Cb 0.50 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2dm7 n LEU 95 CO 0.47 -4.09 0.88 -2.16 -1.33 0.00 0.00 177.39 171.16 2dm7 s PRO 96 N -2.00 4.21 0.30 3.23 0.04 -1.26 -5.05 135.00 134.47 2dm7 s PRO 96 Ca 0.59 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.61 2dm7 s PRO 96 Cb -0.38 -2.86 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2dm7 s PRO 96 CO 0.64 -0.22 0.14 0.00 0.04 0.00 0.00 177.00 177.60 2dm7 s ALA 97 N -1.29 1.94 0.45 8.56 0.00 -1.26 -5.17 121.76 124.99 2dm7 s ALA 97 Ca 0.53 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.73 2dm7 s ALA 97 Cb -0.34 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 2dm7 s ALA 97 CO 0.43 -0.48 0.67 1.03 0.00 0.00 0.00 175.76 177.41 2dm7 s ARG 98 N -3.88 3.03 0.04 0.00 0.52 -1.26 -5.12 118.95 112.29 2dm7 s ARG 98 Ca 0.36 -0.53 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 2dm7 s ARG 98 Cb 0.06 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 2dm7 s ARG 98 CO 0.16 -0.28 -0.16 0.12 0.02 0.00 0.00 175.30 175.16 2dm7 s PHE 99 N -2.55 1.39 -0.53 -0.53 2.19 -1.26 -5.04 117.98 111.65 2dm7 s PHE 99 Ca 0.49 -0.36 -0.41 0.00 0.33 0.00 0.00 56.93 56.98 2dm7 s PHE 99 Cb -0.10 -0.82 -0.18 0.00 -1.31 0.00 0.00 43.02 40.61 2dm7 s PHE 99 CO 0.38 0.05 2.21 2.41 1.83 0.00 0.00 175.22 182.10 2dm7 n THR 100 N 1.88 0.03 -3.54 0.12 -1.04 -1.26 0.11 114.28 110.58 2dm7 n THR 100 Ca -0.18 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.56 2dm7 n THR 100 Cb 0.54 -0.72 0.08 0.00 -1.82 0.00 0.00 70.33 68.41 2dm7 n THR 100 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dm7 n GLU 101 N 7.75 -7.54 -1.35 -2.82 1.02 -1.26 -4.81 120.64 111.63 2dm7 n GLU 101 Ca 0.54 0.83 -0.53 0.00 -0.02 0.00 0.00 57.16 57.98 2dm7 n GLU 101 Cb 0.02 -5.86 -0.07 0.00 -0.02 0.00 0.00 31.44 25.51 2dm7 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm7 n GLY 102 N -1.75 -0.06 3.60 0.62 0.00 0.31 -4.94 105.19 102.98 2dm7 n GLY 102 Ca -0.08 0.73 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 2dm7 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm7 s SER 103 N 1.13 3.88 -0.17 1.61 0.15 -1.26 -5.04 113.70 114.00 2dm7 s SER 103 Ca 0.81 -1.29 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 2dm7 s SER 103 Cb -1.15 -0.39 0.11 0.00 -1.71 0.00 0.00 66.02 62.87 2dm7 s SER 103 CO 0.57 -0.38 0.90 -0.83 1.20 0.00 0.00 173.24 174.71 2dm7 s GLY 104 N -3.69 -0.34 -0.63 9.45 0.00 -1.26 -5.11 107.32 105.74 2dm7 s GLY 104 Ca 0.35 1.99 -0.26 0.00 0.00 0.00 0.00 44.72 46.79 2dm7 s GLY 104 CO 0.18 1.23 1.87 2.56 0.00 0.00 0.00 173.10 178.94 2dm7 s PRO 105 N -0.74 2.62 0.39 2.90 0.04 -1.26 -4.97 135.00 133.97 2dm7 s PRO 105 Ca -0.03 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.33 2dm7 s PRO 105 Cb -0.02 -4.43 -0.10 0.00 0.04 0.00 0.00 34.50 30.00 2dm7 s PRO 105 CO 0.02 -2.78 0.99 0.45 0.04 0.00 0.00 177.00 175.72 2dm7 s SER 106 N 8.10 6.97 -0.15 6.66 0.15 -1.26 -5.00 113.70 129.17 2dm7 s SER 106 Ca 0.67 1.87 -0.15 0.00 0.70 0.00 0.00 55.95 59.05 2dm7 s SER 106 Cb -0.12 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.50 2dm7 s SER 106 CO 0.19 -0.33 0.14 0.77 1.20 0.00 0.00 173.24 175.21 2dm7 h SER 107 N 2.51 0.00 0.00 5.45 4.64 -2.09 -3.58 113.55 120.49 2dm7 h SER 107 Ca -0.48 -0.33 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 2dm7 h SER 107 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2dm7 h SER 107 CO 0.63 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 178.17