#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 6.79 0.18 1.61 1.04 -1.26 -4.98 113.70 117.08 2dm7 s SER 2 Ca 0.00 1.78 -0.22 0.00 0.48 0.00 0.00 55.95 57.99 2dm7 s SER 2 Cb 0.00 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.64 2dm7 s SER 2 CO 0.00 -0.89 0.60 -0.94 0.98 0.00 0.00 173.24 172.99 2dm7 s SER 3 N 2.65 -0.48 -0.31 7.02 1.04 -1.26 -5.15 113.70 117.21 2dm7 s SER 3 Ca 0.61 -0.15 0.06 0.00 0.48 0.00 0.00 55.95 56.95 2dm7 s SER 3 Cb -0.25 0.61 0.19 0.00 0.10 0.00 0.00 66.02 66.68 2dm7 s SER 3 CO 0.21 -1.03 0.57 -0.83 0.98 0.00 0.00 173.24 173.14 2dm7 s GLY 4 N -2.79 -1.14 0.36 7.32 0.00 -1.26 -5.15 107.32 104.66 2dm7 s GLY 4 Ca 0.03 0.75 -0.25 0.00 0.00 0.00 0.00 44.72 45.26 2dm7 s GLY 4 CO -0.09 3.57 1.01 -1.35 0.00 0.00 0.00 173.10 176.24 2dm7 s SER 5 N 2.60 7.04 -0.37 1.64 1.04 -1.26 -4.95 113.70 119.45 2dm7 s SER 5 Ca 0.11 1.96 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 2dm7 s SER 5 Cb -0.09 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.63 2dm7 s SER 5 CO -0.23 -0.28 2.19 -1.20 0.98 0.00 0.00 173.24 174.70 2dm7 n SER 6 N 0.26 6.54 -3.50 7.02 7.64 -1.26 -4.91 113.62 125.41 2dm7 n SER 6 Ca 0.03 -3.13 -0.12 0.00 1.01 0.00 0.00 58.87 56.66 2dm7 n SER 6 Cb 0.50 -1.09 0.02 0.00 -1.01 0.00 0.00 64.21 62.62 2dm7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm7 n GLY 7 N 0.40 2.35 3.77 0.23 0.00 -1.26 -5.11 105.19 105.57 2dm7 n GLY 7 Ca 0.36 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.28 2.23 0.08 1.61 0.04 -1.26 -4.96 135.00 129.46 2dm7 s PRO 8 Ca 0.25 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.15 2dm7 s PRO 8 Cb -0.02 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2dm7 s PRO 8 CO 0.16 -1.66 1.51 0.00 0.04 0.00 0.00 177.00 177.04 2dm7 s ALA 9 N -2.90 3.65 -0.08 8.56 0.00 -1.26 -5.00 121.76 124.72 2dm7 s ALA 9 Ca 0.61 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.71 2dm7 s ALA 9 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 2dm7 s ALA 9 CO 0.56 -0.88 -0.12 -0.98 0.00 0.00 0.00 175.76 174.34 2dm7 s ARG 10 N 1.97 2.82 0.47 0.00 1.70 -1.26 -4.65 118.95 119.99 2dm7 s ARG 10 Ca 0.68 -0.66 -0.25 0.00 -0.47 0.00 0.00 55.73 55.04 2dm7 s ARG 10 Cb -0.37 -2.50 -0.08 0.00 -0.57 0.00 0.00 34.95 31.43 2dm7 s ARG 10 CO 0.30 0.51 1.42 -0.06 -1.08 0.00 0.00 175.30 176.39 2dm7 s PHE 11 N -0.43 2.42 -0.04 5.89 0.08 -1.26 -1.03 117.98 123.61 2dm7 s PHE 11 Ca 0.05 1.28 0.04 0.00 0.12 0.00 0.00 56.93 58.42 2dm7 s PHE 11 Cb -0.12 -3.90 -0.06 0.00 -0.57 0.00 0.00 43.02 38.36 2dm7 s PHE 11 CO 0.02 -2.95 0.03 0.25 -0.10 0.00 0.00 175.22 172.47 2dm7 n THR 12 N -0.35 0.28 -3.88 0.64 -2.24 -1.24 -4.79 114.28 102.68 2dm7 n THR 12 Ca 0.06 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 2dm7 n THR 12 Cb 0.42 -0.72 -0.16 0.00 -2.10 0.00 0.00 70.33 67.78 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 1.38 0.42 -0.78 -1.52 -1.26 -5.03 119.66 110.73 2dm7 s GLN 13 Ca -0.02 -0.69 -0.19 0.00 -1.95 0.00 0.00 55.36 52.50 2dm7 s GLN 13 Cb 0.02 -2.27 -0.15 0.00 -0.22 0.00 0.00 33.01 30.39 2dm7 s GLN 13 CO 0.19 -0.54 0.01 -0.40 -0.25 0.00 0.00 175.29 174.30 2dm7 n ASP 14 N 4.82 -3.02 -4.71 5.90 5.68 -1.26 -3.71 116.55 120.25 2dm7 n ASP 14 Ca -0.11 0.72 -0.42 0.00 -0.50 0.00 0.00 54.79 54.47 2dm7 n ASP 14 Cb 0.46 -0.83 -0.03 0.00 -1.14 0.00 0.00 41.12 39.58 2dm7 n ASP 14 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2dm7 s LEU 15 N 4.39 4.37 0.37 -2.12 0.20 -1.26 -4.77 118.68 119.85 2dm7 s LEU 15 Ca 0.56 2.44 0.08 0.00 0.69 0.00 0.00 54.13 57.89 2dm7 s LEU 15 Cb -0.56 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 41.58 2dm7 s LEU 15 CO 0.61 -0.75 0.22 -0.54 -0.29 0.00 0.00 176.35 175.61 2dm7 s LYS 16 N 1.36 2.41 0.35 1.98 -0.14 -1.10 -4.36 119.74 120.24 2dm7 s LYS 16 Ca 0.68 -1.59 -0.02 0.00 -1.36 0.00 0.00 55.97 53.67 2dm7 s LYS 16 Cb -0.39 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 2dm7 s LYS 16 CO 0.31 -0.02 0.48 -0.08 -0.76 0.00 0.00 175.35 175.28 2dm7 s THR 17 N -2.46 0.00 0.33 2.17 -1.32 -1.26 -3.25 115.64 109.85 2dm7 s THR 17 Ca 0.41 -1.59 0.04 0.00 -1.21 0.00 0.00 61.69 59.34 2dm7 s THR 17 Cb -0.01 -2.64 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 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 -3.03 1.67 -0.33 7.08 0.00 -1.25 -4.96 119.74 118.91 2dm7 s LYS 18 Ca 0.30 -1.93 -0.06 0.00 0.00 0.00 0.00 55.97 54.29 2dm7 s LYS 18 Cb -0.00 -0.88 0.04 0.00 0.00 0.00 0.00 37.83 36.99 2dm7 s LYS 18 CO 0.20 -0.19 0.09 -1.83 0.00 0.00 0.00 175.35 173.62 2dm7 s GLU 19 N -3.88 2.60 0.35 1.78 -1.05 -1.26 -3.02 118.70 114.21 2dm7 s GLU 19 Ca 0.36 -1.19 0.09 0.00 -0.15 0.00 0.00 54.97 54.08 2dm7 s GLU 19 Cb 0.09 -3.42 -0.06 0.00 -0.44 0.00 0.00 34.13 30.29 2dm7 s GLU 19 CO 0.16 -0.66 -0.03 0.00 0.95 0.00 0.00 175.26 175.68 2dm7 s ALA 20 N 1.38 3.11 0.34 -0.84 0.00 -0.95 -4.95 121.76 119.85 2dm7 s ALA 20 Ca -0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 51.96 49.89 2dm7 s ALA 20 Cb -0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2dm7 s ALA 20 CO 0.02 0.06 0.57 0.45 0.00 0.00 0.00 175.76 176.87 2dm7 s SER 21 N -3.68 6.35 0.13 0.00 0.15 -1.26 -1.21 113.70 114.18 2dm7 s SER 21 Ca 0.34 0.60 -0.35 0.00 0.70 0.00 0.00 55.95 57.24 2dm7 s SER 21 Cb 0.01 -2.10 -0.16 0.00 -1.71 0.00 0.00 66.02 62.07 2dm7 s SER 21 CO 0.18 -0.28 1.24 -0.62 1.20 0.00 0.00 173.24 174.96 2dm7 n GLU 22 N -1.50 1.11 -0.78 5.44 1.02 -0.73 -0.44 120.64 124.76 2dm7 n GLU 22 Ca -0.03 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2dm7 n GLU 22 Cb 0.55 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 2.24 0.72 4.04 0.62 0.00 -1.07 -4.91 105.19 106.84 2dm7 n GLY 23 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.62 4.72 -0.21 4.61 0.00 0.41 -4.45 121.76 124.22 2dm7 s ALA 24 Ca 0.00 -2.21 -0.00 0.00 0.00 0.00 0.00 51.96 49.75 2dm7 s ALA 24 Cb 0.00 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.69 2dm7 s ALA 24 CO 0.00 -0.95 -0.13 0.99 0.00 0.00 0.00 175.76 175.66 2dm7 s THR 25 N -2.72 2.48 0.75 0.00 2.01 -1.26 -0.98 115.64 115.92 2dm7 s THR 25 Ca 0.63 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 2dm7 s THR 25 Cb -0.05 -2.14 0.06 0.00 0.01 0.00 0.00 72.50 70.37 2dm7 s THR 25 CO 0.40 0.40 1.10 0.00 -0.69 0.00 0.00 174.62 175.84 2dm7 s ALA 26 N 1.32 2.86 -0.21 7.40 0.00 -1.16 -4.86 121.76 127.11 2dm7 s ALA 26 Ca 0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2dm7 s ALA 26 Cb -0.15 -2.87 0.11 0.00 0.00 0.00 0.00 23.12 20.21 2dm7 s ALA 26 CO -0.09 -1.41 0.37 0.99 0.00 0.00 0.00 175.76 175.62 2dm7 s THR 27 N -3.41 -0.58 -0.09 0.00 2.01 -1.25 -3.09 115.64 109.22 2dm7 s THR 27 Ca 0.60 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.62 2dm7 s THR 27 Cb -0.11 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 2dm7 s THR 27 CO 0.48 -0.04 0.02 -0.76 -0.69 0.00 0.00 174.62 173.63 2dm7 s LEU 28 N 2.54 3.66 -0.08 4.42 1.02 -0.83 -3.85 118.68 125.56 2dm7 s LEU 28 Ca 0.07 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.43 2dm7 s LEU 28 Cb -0.14 -1.85 0.00 0.00 0.02 0.00 0.00 46.19 44.23 2dm7 s LEU 28 CO -0.14 0.37 -0.21 -1.10 0.02 0.00 0.00 176.35 175.29 2dm7 s GLN 29 N -0.86 2.59 0.05 1.70 1.11 -1.20 -2.33 119.66 120.73 2dm7 s GLN 29 Ca 0.13 -0.77 -0.00 0.00 0.01 0.00 0.00 55.36 54.73 2dm7 s GLN 29 Cb -0.11 -2.04 -0.04 0.00 -1.01 0.00 0.00 33.01 29.81 2dm7 s GLN 29 CO 0.02 0.19 -0.04 0.00 0.01 0.00 0.00 175.29 175.48 2dm7 s GLU 31 N -3.40 2.04 0.12 0.00 2.12 -1.24 -2.30 118.70 116.04 2dm7 s GLU 31 Ca 0.03 -1.91 -0.05 0.00 0.36 0.00 0.00 54.97 53.41 2dm7 s GLU 31 Cb 0.04 -1.82 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 2dm7 s GLU 31 CO -0.07 0.02 0.13 -0.51 -0.54 0.00 0.00 175.26 174.29 2dm7 s LEU 32 N -3.75 1.59 0.43 2.70 1.43 0.42 -3.68 118.68 117.83 2dm7 s LEU 32 Ca 0.36 -0.98 0.24 0.00 -1.03 0.00 0.00 54.13 52.72 2dm7 s LEU 32 Cb 0.04 0.67 0.74 0.00 0.03 0.00 0.00 46.19 47.67 2dm7 s LEU 32 CO 0.19 -0.76 1.74 -1.28 0.23 0.00 0.00 176.35 176.48 2dm7 h SER 33 N 2.80 0.00 -3.92 2.29 0.87 -1.38 -3.43 113.55 110.77 2dm7 h SER 33 Ca -0.34 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.40 2dm7 h SER 33 Cb 1.20 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.93 2dm7 h SER 33 CO 0.56 0.18 0.73 -1.59 -0.53 0.00 0.00 176.83 176.19 2dm7 s LYS 34 N -3.44 0.38 -0.26 2.24 -2.85 -1.26 -4.96 119.74 109.59 2dm7 s LYS 34 Ca 0.03 -0.00 -0.36 0.00 -1.00 0.00 0.00 55.97 54.63 2dm7 s LYS 34 Cb 0.08 0.18 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 2dm7 s LYS 34 CO 0.64 -0.14 2.00 0.28 0.10 0.00 0.00 175.35 178.24 2dm7 n VAL 35 N 0.35 0.33 -3.62 1.79 0.31 -1.26 -4.85 118.33 111.38 2dm7 n VAL 35 Ca -0.04 -0.18 -0.14 0.00 -0.01 0.00 0.00 64.34 63.97 2dm7 n VAL 35 Cb 0.59 -1.65 -0.06 0.00 -0.91 0.00 0.00 33.84 31.81 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 5.60 -1.21 0.24 3.52 0.00 -1.26 -5.01 121.76 123.65 2dm7 s ALA 36 Ca 1.02 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 2dm7 s ALA 36 Cb -0.84 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 2dm7 s ALA 36 CO 0.53 -0.45 1.28 -1.25 0.00 0.00 0.00 175.76 175.87 2dm7 s PRO 37 N -2.23 4.42 0.16 0.00 0.04 -1.26 -5.04 135.00 131.09 2dm7 s PRO 37 Ca -0.07 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dm7 s PRO 37 Cb -0.01 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2dm7 s PRO 37 CO -0.00 -0.17 0.05 0.14 0.04 0.00 0.00 177.00 177.06 2dm7 s VAL 38 N -0.37 0.30 -0.06 -0.36 -7.23 -1.26 -4.57 120.40 106.85 2dm7 s VAL 38 Ca 0.53 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2dm7 s VAL 38 Cb -0.36 -2.18 0.04 0.00 0.56 0.00 0.00 36.38 34.43 2dm7 s VAL 38 CO 0.42 -0.36 0.10 -0.70 -0.31 0.00 0.00 175.10 174.25 2dm7 s GLU 39 N -4.02 -0.02 0.43 4.82 2.12 -1.14 -5.04 118.70 115.85 2dm7 s GLU 39 Ca 0.27 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.83 2dm7 s GLU 39 Cb 0.07 -0.38 -0.11 0.00 0.26 0.00 0.00 34.13 33.98 2dm7 s GLU 39 CO 0.05 -0.30 0.96 -1.58 -0.54 0.00 0.00 175.26 173.85 2dm7 s TRP 40 N 2.09 3.29 0.02 5.30 0.52 -1.26 -2.37 118.94 126.53 2dm7 s TRP 40 Ca 0.02 1.61 -0.00 0.00 0.02 0.00 0.00 56.10 57.76 2dm7 s TRP 40 Cb -0.12 -2.88 -0.02 0.00 -1.15 0.00 0.00 33.47 29.30 2dm7 s TRP 40 CO -0.04 -0.17 -0.03 0.15 0.02 0.00 0.00 176.95 176.88 2dm7 s LYS 41 N -3.14 0.30 -0.09 4.98 1.02 0.29 -2.53 119.74 120.56 2dm7 s LYS 41 Ca 0.62 -0.59 0.14 0.00 0.02 0.00 0.00 55.97 56.16 2dm7 s LYS 41 Cb -0.10 0.11 0.21 0.00 -0.52 0.00 0.00 37.83 37.53 2dm7 s LYS 41 CO 0.14 -0.05 1.10 1.17 -0.92 0.00 0.00 175.35 176.80 2dm7 n LYS 42 N 1.64 1.62 0.00 1.68 4.81 -1.26 -0.39 118.16 126.27 2dm7 n LYS 42 Ca -0.24 -2.26 0.00 0.00 -0.87 0.00 0.00 58.31 54.94 2dm7 n LYS 42 Cb 0.55 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 34.26 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 -1.17 0.18 0.00 3.14 0.00 -1.26 -4.81 105.19 101.27 2dm7 n GLY 43 Ca 0.12 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.28 1.61 -0.04 -1.26 -4.73 135.00 126.78 2dm7 n PRO 44 Ca 0.00 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 2dm7 n PRO 44 Cb 0.00 -1.35 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 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 2.15 0.09 0.54 2.02 -1.26 -5.15 118.70 115.10 2dm7 s GLU 45 Ca 0.16 -1.94 0.06 0.00 0.02 0.00 0.00 54.97 53.27 2dm7 s GLU 45 Cb 0.07 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 2dm7 s GLU 45 CO 0.13 -0.12 -0.06 0.99 0.02 0.00 0.00 175.26 176.21 2dm7 s THR 46 N -2.65 3.62 0.17 3.63 2.01 -1.26 -4.15 115.64 117.01 2dm7 s THR 46 Ca 0.38 -1.14 0.08 0.00 0.31 0.00 0.00 61.69 61.32 2dm7 s THR 46 Cb 0.05 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2dm7 s THR 46 CO 0.21 0.13 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.33 2dm7 s LEU 47 N -2.20 2.45 0.12 4.42 1.43 -1.05 -4.96 118.68 118.89 2dm7 s LEU 47 Ca 0.23 -0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 52.22 2dm7 s LEU 47 Cb -0.11 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.36 2dm7 s LEU 47 CO 0.15 -0.05 0.57 0.00 0.23 0.00 0.00 176.35 177.24 2dm7 s ARG 48 N -2.90 1.19 -0.05 1.70 1.70 -1.26 -4.30 118.95 115.04 2dm7 s ARG 48 Ca 0.17 -0.41 -0.30 0.00 -0.47 0.00 0.00 55.73 54.72 2dm7 s ARG 48 Cb -0.05 0.55 -0.06 0.00 -0.57 0.00 0.00 34.95 34.82 2dm7 s ARG 48 CO 0.07 -0.49 1.63 0.16 -1.08 0.00 0.00 175.30 175.59 2dm7 s ASP 49 N -2.51 6.68 0.00 -2.89 -4.77 -1.26 -4.21 116.67 107.71 2dm7 s ASP 49 Ca -0.01 2.23 0.00 0.00 -3.30 0.00 0.00 52.55 51.48 2dm7 s ASP 49 Cb -0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 2dm7 s ASP 49 CO -0.09 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 175.48 2dm7 n GLY 50 N 4.09 -0.36 0.00 2.12 0.00 -1.16 -5.00 105.19 104.88 2dm7 n GLY 50 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.93 1.96 -0.02 0.00 -1.26 -4.77 105.19 102.03 2dm7 n GLY 51 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 2dm7 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm7 n ARG 52 N 0.00 1.50 -3.21 1.61 5.12 -1.26 -4.59 116.66 115.83 2dm7 n ARG 52 Ca 0.00 -0.65 0.04 0.00 -1.93 0.00 0.00 57.85 55.30 2dm7 n ARG 52 Cb 0.00 -1.73 -0.01 0.00 -1.16 0.00 0.00 32.46 29.56 2dm7 n ARG 52 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2dm7 s TYR 53 N 1.07 -1.42 -0.28 -1.55 2.02 -1.26 -4.01 117.35 111.92 2dm7 s TYR 53 Ca 0.44 1.62 -0.09 0.00 -0.37 0.00 0.00 57.07 58.67 2dm7 s TYR 53 Cb 0.21 0.54 -0.03 0.00 -0.40 0.00 0.00 41.96 42.28 2dm7 s TYR 53 CO 0.00 -0.77 0.14 0.45 -1.57 0.00 0.00 175.55 173.80 2dm7 s SER 54 N 2.87 5.59 -0.27 2.29 0.15 -0.32 -2.96 113.70 121.05 2dm7 s SER 54 Ca 0.15 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.59 2dm7 s SER 54 Cb -0.14 -2.02 0.07 0.00 -1.71 0.00 0.00 66.02 62.21 2dm7 s SER 54 CO -0.19 -0.09 -0.08 -0.76 1.20 0.00 0.00 173.24 173.31 2dm7 s LEU 55 N 1.67 3.67 -0.06 3.45 1.02 -1.26 0.27 118.68 127.44 2dm7 s LEU 55 Ca 0.06 -1.51 -0.04 0.00 0.02 0.00 0.00 54.13 52.66 2dm7 s LEU 55 Cb -0.16 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 2dm7 s LEU 55 CO 0.07 -0.22 0.14 -0.75 0.02 0.00 0.00 176.35 175.61 2dm7 s LYS 56 N 1.08 3.35 -0.33 1.70 2.47 -0.17 -4.87 119.74 122.96 2dm7 s LYS 56 Ca -0.06 -0.27 -0.04 0.00 -1.56 0.00 0.00 55.97 54.04 2dm7 s LYS 56 Cb -0.20 -3.08 0.06 0.00 -1.46 0.00 0.00 37.83 33.15 2dm7 s LYS 56 CO -0.05 0.72 0.07 -1.14 0.16 0.00 0.00 175.35 175.11 2dm7 s GLN 57 N -1.45 2.44 -0.88 4.03 0.74 -1.26 -0.99 119.66 122.28 2dm7 s GLN 57 Ca 0.20 -1.32 -0.06 0.00 0.05 0.00 0.00 55.36 54.23 2dm7 s GLN 57 Cb -0.12 -3.36 0.22 0.00 1.10 0.00 0.00 33.01 30.85 2dm7 s GLN 57 CO 0.11 -0.71 0.79 0.34 -0.55 0.00 0.00 175.29 175.26 2dm7 s ASP 58 N 1.42 6.31 1.23 6.67 2.15 0.17 -4.98 116.67 129.64 2dm7 s ASP 58 Ca -0.02 -3.34 0.00 0.00 0.43 0.00 0.00 52.55 49.63 2dm7 s ASP 58 Cb -0.20 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2dm7 s ASP 58 CO -0.00 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 2dm7 n GLY 59 N 2.94 1.17 1.26 2.66 0.00 -1.26 -1.47 105.19 110.49 2dm7 n GLY 59 Ca 0.18 0.29 0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 1.77 -4.21 2.61 -2.24 -1.26 -4.24 114.28 106.71 2dm7 n THR 60 Ca 0.00 -1.30 -0.19 0.00 -2.27 0.00 0.00 64.05 60.29 2dm7 n THR 60 Cb 0.00 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.89 0.92 0.09 -0.78 0.52 -0.54 -0.43 118.95 116.84 2dm7 s ARG 61 Ca 0.44 -1.08 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 2dm7 s ARG 61 Cb 0.29 -0.90 -0.03 0.00 0.52 0.00 0.00 34.95 34.83 2dm7 s ARG 61 CO 0.19 0.19 -0.15 0.00 0.02 0.00 0.00 175.30 175.55 2dm7 s GLU 63 N -2.10 0.73 -0.11 0.00 2.12 -0.16 -2.77 118.70 116.41 2dm7 s GLU 63 Ca 0.03 -0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.28 2dm7 s GLU 63 Cb -0.08 -1.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.00 2dm7 s GLU 63 CO 0.03 -0.36 0.07 -1.17 -0.54 0.00 0.00 175.26 173.29 2dm7 s LEU 64 N 1.92 3.99 -0.08 2.70 2.96 -0.99 -1.00 118.68 128.18 2dm7 s LEU 64 Ca 0.04 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2dm7 s LEU 64 Cb -0.13 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2dm7 s LEU 64 CO -0.06 0.38 -0.12 -1.10 -1.32 0.00 0.00 176.35 174.13 2dm7 s GLN 65 N -0.89 1.80 -0.49 1.98 -0.21 0.14 -1.96 119.66 120.03 2dm7 s GLN 65 Ca 0.14 -0.43 -0.03 0.00 0.02 0.00 0.00 55.36 55.06 2dm7 s GLN 65 Cb -0.12 -1.53 0.13 0.00 1.00 0.00 0.00 33.01 32.49 2dm7 s GLN 65 CO 0.03 -0.02 0.29 0.42 -2.12 0.00 0.00 175.29 173.89 2dm7 s ILE 66 N 0.85 3.41 0.55 1.08 1.01 -1.18 -1.17 121.20 125.75 2dm7 s ILE 66 Ca -0.11 -2.42 -0.18 0.00 0.00 0.00 0.00 60.65 57.95 2dm7 s ILE 66 Cb -0.15 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2dm7 s ILE 66 CO 0.01 -0.76 1.06 -1.00 0.00 0.00 0.00 174.94 174.25 2dm7 s HIS 67 N 0.67 2.95 -1.24 3.97 3.76 -1.26 -3.01 115.29 121.13 2dm7 s HIS 67 Ca 0.12 1.54 -0.01 0.00 -0.15 0.00 0.00 55.06 56.55 2dm7 s HIS 67 Cb -0.22 -3.06 -0.00 0.00 1.11 0.00 0.00 32.58 30.41 2dm7 s HIS 67 CO -0.04 -1.07 0.83 -0.25 -0.85 0.00 0.00 174.74 173.36 2dm7 n ASP 68 N -1.61 -1.95 -3.59 1.40 8.00 -1.22 -4.94 116.55 112.64 2dm7 n ASP 68 Ca 0.09 -0.74 -0.23 0.00 0.71 0.00 0.00 54.79 54.62 2dm7 n ASP 68 Cb 0.53 -4.51 0.20 0.00 -0.02 0.00 0.00 41.12 37.31 2dm7 n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dm7 n LEU 69 N -4.15 -1.14 -3.64 0.64 4.77 -0.15 -4.69 117.00 108.63 2dm7 n LEU 69 Ca -0.28 -0.50 -0.04 0.00 -0.03 0.00 0.00 56.01 55.16 2dm7 n LEU 69 Cb 0.67 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 2dm7 n LEU 69 CO 0.65 -3.66 0.97 -0.44 -1.33 0.00 0.00 177.39 173.58 2dm7 s SER 70 N -2.32 -0.22 0.47 -1.43 0.01 -1.26 -2.58 113.70 106.37 2dm7 s SER 70 Ca 0.49 0.41 0.33 0.00 1.31 0.00 0.00 55.95 58.49 2dm7 s SER 70 Cb -0.09 0.53 1.46 0.00 0.21 0.00 0.00 66.02 68.13 2dm7 s SER 70 CO 0.44 -0.07 1.66 -0.37 0.41 0.00 0.00 173.24 175.31 2dm7 h VAL 71 N 3.57 0.19 -0.30 3.43 -1.51 -1.91 1.23 116.25 120.96 2dm7 h VAL 71 Ca -0.27 -0.03 -0.13 0.00 -1.23 0.00 0.00 66.70 65.04 2dm7 h VAL 71 Cb 1.19 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2dm7 h VAL 71 CO 0.16 0.02 -0.33 0.00 -1.23 0.00 0.00 177.57 176.19 2dm7 h ALA 72 N 1.46 0.86 -0.84 5.19 0.00 -1.97 -3.01 119.26 120.96 2dm7 h ALA 72 Ca 0.78 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dm7 h ALA 72 Cb 2.62 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 2dm7 h ALA 72 CO -0.27 0.63 0.52 -0.44 0.00 0.00 0.00 179.25 179.70 2dm7 h ASP 73 N 0.55 0.99 -0.55 0.00 5.19 0.12 -3.42 116.42 119.30 2dm7 h ASP 73 Ca 0.06 -0.05 -0.65 0.00 -0.62 0.00 0.00 57.03 55.77 2dm7 h ASP 73 Cb 0.84 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 2dm7 h ASP 73 CO 0.07 0.75 1.48 0.00 -3.12 0.00 0.00 179.24 178.42 2dm7 n ALA 74 N -2.41 0.61 -2.19 3.45 0.00 -1.08 -4.70 120.51 114.18 2dm7 n ALA 74 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2dm7 n ALA 74 Cb 0.05 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.10 2dm7 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dm7 n GLY 75 N 6.80 3.36 2.72 0.00 0.00 -1.26 -5.01 105.19 111.80 2dm7 n GLY 75 Ca 0.51 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 3.59 0.48 -0.32 1.61 2.12 -1.26 -3.13 118.70 121.80 2dm7 s GLU 76 Ca 0.00 -0.13 -0.15 0.00 0.36 0.00 0.00 54.97 55.06 2dm7 s GLU 76 Cb 0.00 -1.57 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 2dm7 s GLU 76 CO 0.00 -0.51 0.34 0.71 -0.54 0.00 0.00 175.26 175.26 2dm7 s TYR 77 N 1.97 3.22 -0.03 5.30 1.51 0.04 -4.49 117.35 124.87 2dm7 s TYR 77 Ca 0.02 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2dm7 s TYR 77 Cb -0.15 -2.61 -0.03 0.00 -0.11 0.00 0.00 41.96 39.06 2dm7 s TYR 77 CO -0.07 -0.35 -0.08 -1.12 -1.11 0.00 0.00 175.55 172.83 2dm7 s SER 78 N 1.71 4.54 -0.14 2.29 0.01 0.48 -0.53 113.70 122.06 2dm7 s SER 78 Ca 0.12 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.29 2dm7 s SER 78 Cb -0.16 -1.07 0.02 0.00 0.21 0.00 0.00 66.02 65.01 2dm7 s SER 78 CO 0.11 0.32 -0.18 0.00 0.41 0.00 0.00 173.24 173.90 2dm7 s MET 80 N 1.07 4.06 -0.35 0.00 -1.94 -1.00 -2.04 119.30 119.10 2dm7 s MET 80 Ca -0.03 -0.28 0.01 0.00 -1.71 0.00 0.00 55.69 53.68 2dm7 s MET 80 Cb -0.14 -3.44 0.11 0.00 2.01 0.00 0.00 34.83 33.36 2dm7 s MET 80 CO -0.05 0.14 0.13 0.00 -0.01 0.00 0.00 175.02 175.23 2dm7 n GLY 82 N 4.40 1.38 0.00 0.00 0.00 -1.26 -2.69 105.19 107.02 2dm7 n GLY 82 Ca 0.02 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2dm7 n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dm7 n GLN 83 N 0.00 0.24 -1.20 1.61 7.27 -1.26 -5.08 117.38 118.95 2dm7 n GLN 83 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 2dm7 n GLN 83 Cb 0.00 -0.87 0.18 0.00 2.41 0.00 0.00 30.24 31.96 2dm7 n GLN 83 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2dm7 s GLU 84 N -1.74 0.43 -0.13 3.69 8.01 -1.10 -5.08 118.70 122.78 2dm7 s GLU 84 Ca 0.00 0.47 -0.29 0.00 0.01 0.00 0.00 54.97 55.16 2dm7 s GLU 84 Cb 0.00 -1.74 0.07 0.00 -4.31 0.00 0.00 34.13 28.15 2dm7 s GLU 84 CO 0.00 -2.72 0.70 0.50 0.01 0.00 0.00 175.26 173.75 2dm7 s ARG 85 N -5.00 0.97 0.14 1.61 3.52 -1.26 -2.26 118.95 116.67 2dm7 s ARG 85 Ca 0.65 0.52 0.02 0.00 -0.13 0.00 0.00 55.73 56.79 2dm7 s ARG 85 Cb -0.18 0.46 -0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2dm7 s ARG 85 CO 0.57 -0.25 -0.04 -0.08 -0.81 0.00 0.00 175.30 174.70 2dm7 s THR 86 N -0.64 0.75 0.03 4.11 -1.32 -0.86 -4.98 115.64 112.73 2dm7 s THR 86 Ca -0.07 -1.97 0.02 0.00 -1.21 0.00 0.00 61.69 58.45 2dm7 s THR 86 Cb -0.02 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 2dm7 s THR 86 CO 0.07 -0.66 -0.07 -0.94 -2.21 0.00 0.00 174.62 170.80 2dm7 s SER 87 N -3.12 0.75 -0.06 8.08 1.04 -1.26 -1.07 113.70 118.06 2dm7 s SER 87 Ca 0.18 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 2dm7 s SER 87 Cb 0.05 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.25 2dm7 s SER 87 CO 0.00 -0.19 0.13 0.00 0.98 0.00 0.00 173.24 174.16 2dm7 s ALA 88 N -1.26 -0.16 -0.51 5.32 0.00 0.31 -4.20 121.76 121.26 2dm7 s ALA 88 Ca -0.10 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.21 2dm7 s ALA 88 Cb -0.09 -0.53 0.05 0.00 0.00 0.00 0.00 23.12 22.55 2dm7 s ALA 88 CO 0.00 -0.27 0.76 0.99 0.00 0.00 0.00 175.76 177.24 2dm7 s THR 89 N 1.51 4.66 0.45 0.00 2.01 -1.26 -0.78 115.64 122.23 2dm7 s THR 89 Ca -0.05 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 2dm7 s THR 89 Cb -0.12 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 2dm7 s THR 89 CO -0.05 -0.89 1.06 -0.22 -0.69 0.00 0.00 174.62 173.82 2dm7 s LEU 90 N 3.21 3.98 -0.15 4.42 2.96 -1.18 -4.79 118.68 127.12 2dm7 s LEU 90 Ca 0.23 2.01 -0.02 0.00 -0.22 0.00 0.00 54.13 56.13 2dm7 s LEU 90 Cb -0.15 -4.38 -0.02 0.00 0.50 0.00 0.00 46.19 42.13 2dm7 s LEU 90 CO 0.16 -0.69 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.55 2dm7 s THR 91 N -1.80 3.55 -0.13 3.68 2.01 -1.17 -4.28 115.64 117.50 2dm7 s THR 91 Ca 0.63 -0.48 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 2dm7 s THR 91 Cb -0.20 -2.54 0.02 0.00 0.01 0.00 0.00 72.50 69.80 2dm7 s THR 91 CO 0.24 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.87 2dm7 s VAL 92 N 0.47 1.29 -0.21 3.82 1.01 -1.26 -2.24 120.40 123.27 2dm7 s VAL 92 Ca -0.06 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2dm7 s VAL 92 Cb -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2dm7 s VAL 92 CO 0.03 0.40 0.29 -0.13 0.00 0.00 0.00 175.10 175.70 2dm7 s ARG 93 N 1.60 4.14 0.51 2.72 0.52 -0.35 -4.86 118.95 123.23 2dm7 s ARG 93 Ca 0.05 -0.00 -0.22 0.00 -0.52 0.00 0.00 55.73 55.03 2dm7 s ARG 93 Cb -0.13 -3.53 -0.06 0.00 0.52 0.00 0.00 34.95 31.75 2dm7 s ARG 93 CO -0.09 0.02 1.25 0.00 0.02 0.00 0.00 175.30 176.50 2dm7 s ALA 94 N 1.15 2.87 0.73 2.13 0.00 -1.26 -1.78 121.76 125.59 2dm7 s ALA 94 Ca 0.14 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.05 2dm7 s ALA 94 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2dm7 s ALA 94 CO 0.06 -1.02 0.47 1.28 0.00 0.00 0.00 175.76 176.55 2dm7 n LEU 95 N -0.82 0.47 -4.63 0.00 4.77 -1.26 -4.83 117.00 110.70 2dm7 n LEU 95 Ca 0.09 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.22 2dm7 n LEU 95 Cb 0.47 -1.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2dm7 n LEU 95 CO 0.50 -3.26 1.38 -2.16 -1.33 0.00 0.00 177.39 172.52 2dm7 s PRO 96 N -2.69 3.75 0.49 3.23 0.04 -1.26 -4.99 135.00 133.56 2dm7 s PRO 96 Ca 0.64 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 63.09 2dm7 s PRO 96 Cb -0.35 -4.05 -0.08 0.00 0.04 0.00 0.00 34.50 30.06 2dm7 s PRO 96 CO 0.59 -1.36 1.03 0.00 0.04 0.00 0.00 177.00 177.31 2dm7 s ALA 97 N 5.36 2.87 -0.50 8.56 0.00 -1.26 -4.95 121.76 131.83 2dm7 s ALA 97 Ca 0.72 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.97 2dm7 s ALA 97 Cb -0.24 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2dm7 s ALA 97 CO 0.30 -0.33 1.69 1.03 0.00 0.00 0.00 175.76 178.44 2dm7 s ARG 98 N -3.32 3.09 -0.23 0.00 0.52 -1.26 -4.82 118.95 112.93 2dm7 s ARG 98 Ca 0.67 0.83 -0.16 0.00 -0.52 0.00 0.00 55.73 56.55 2dm7 s ARG 98 Cb -0.16 -4.23 -0.10 0.00 0.52 0.00 0.00 34.95 30.97 2dm7 s ARG 98 CO 0.21 -2.18 -0.28 0.34 0.02 0.00 0.00 175.30 173.42 2dm7 n PHE 99 N 10.88 0.18 -2.37 -0.53 7.35 -1.26 -4.88 117.46 126.84 2dm7 n PHE 99 Ca 0.19 0.08 -0.43 0.00 -0.76 0.00 0.00 57.45 56.52 2dm7 n PHE 99 Cb 0.49 -0.85 -0.02 0.00 0.35 0.00 0.00 39.48 39.45 2dm7 n PHE 99 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2dm7 s THR 100 N -2.59 3.97 -0.79 -2.13 2.01 -1.26 -4.96 115.64 109.88 2dm7 s THR 100 Ca -0.33 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.57 2dm7 s THR 100 Cb 0.10 -4.19 0.21 0.00 0.01 0.00 0.00 72.50 68.63 2dm7 s THR 100 CO 0.47 -0.68 0.70 -0.70 -0.69 0.00 0.00 174.62 173.72 2dm7 s GLU 101 N 4.72 3.39 0.55 4.92 -6.30 -1.26 -5.03 118.70 119.69 2dm7 s GLU 101 Ca 0.60 -2.49 0.00 0.00 -2.50 0.00 0.00 54.97 50.58 2dm7 s GLU 101 Cb -0.15 -4.28 0.00 0.00 0.00 0.00 0.00 34.13 29.70 2dm7 s GLU 101 CO 0.30 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.72 2dm7 n GLY 102 N 3.85 0.45 3.65 -1.50 0.00 -1.26 -4.32 105.19 106.06 2dm7 n GLY 102 Ca 0.13 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.00 6.94 0.00 1.61 0.15 -1.26 -4.98 113.70 112.15 2dm7 s SER 103 Ca 0.00 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.09 2dm7 s SER 103 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dm7 s SER 103 CO 0.00 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2dm7 n GLY 104 N 3.69 1.61 3.62 9.45 0.00 -1.26 -4.86 105.19 117.44 2dm7 n GLY 104 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 2dm7 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm7 s PRO 105 N 0.11 3.71 -0.66 1.61 0.04 -1.26 -4.96 135.00 133.59 2dm7 s PRO 105 Ca 0.00 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.66 2dm7 s PRO 105 Cb 0.00 -4.06 0.16 0.00 0.04 0.00 0.00 34.50 30.64 2dm7 s PRO 105 CO 0.00 -1.40 0.45 -1.12 0.04 0.00 0.00 177.00 174.97 2dm7 s SER 106 N 4.49 4.57 -1.28 6.66 0.01 -1.26 -4.84 113.70 122.05 2dm7 s SER 106 Ca 0.72 -3.67 -0.05 0.00 1.31 0.00 0.00 55.95 54.26 2dm7 s SER 106 Cb -0.24 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.42 2dm7 s SER 106 CO 0.30 -0.11 0.66 -1.20 0.41 0.00 0.00 173.24 173.30 2dm7 n SER 107 N 2.21 -2.15 0.00 2.44 7.64 -1.26 -5.29 113.62 117.22 2dm7 n SER 107 Ca 0.18 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2dm7 n SER 107 Cb 0.35 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 2dm7 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64