#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 n SER 2 N 0.00 3.81 -0.35 1.61 3.41 -1.26 -4.85 113.62 116.00 2dm3 n SER 2 Ca 0.00 0.93 0.01 0.00 -0.26 0.00 0.00 58.87 59.55 2dm3 n SER 2 Cb 0.00 -1.45 0.07 0.00 -0.26 0.00 0.00 64.21 62.57 2dm3 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dm3 n SER 3 N 7.13 -0.52 0.00 4.04 3.41 -1.26 -4.57 113.62 121.85 2dm3 n SER 3 Ca 0.21 1.61 0.00 0.00 -0.26 0.00 0.00 58.87 60.44 2dm3 n SER 3 Cb 0.35 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2dm3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm3 n GLY 4 N -1.48 2.37 3.39 5.00 0.00 -1.26 -5.15 105.19 108.06 2dm3 n GLY 4 Ca 0.11 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.07 2dm3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm3 s SER 5 N -0.71 2.74 0.13 1.61 0.01 -1.26 -5.04 113.70 111.18 2dm3 s SER 5 Ca 0.00 -1.10 -0.34 0.00 1.31 0.00 0.00 55.95 55.82 2dm3 s SER 5 Cb 0.00 -0.16 -0.16 0.00 0.21 0.00 0.00 66.02 65.90 2dm3 s SER 5 CO 0.00 -0.23 1.21 -1.54 0.41 0.00 0.00 173.24 173.08 2dm3 n SER 6 N -0.49 1.31 -3.64 2.44 3.41 -1.26 -4.97 113.62 110.43 2dm3 n SER 6 Ca -0.07 1.13 -0.07 0.00 -0.26 0.00 0.00 58.87 59.61 2dm3 n SER 6 Cb 0.62 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 63.31 2dm3 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dm3 s GLY 7 N 0.14 -0.36 0.15 5.00 0.00 -1.26 -4.40 107.32 106.59 2dm3 s GLY 7 Ca 0.78 2.61 0.11 0.00 0.00 0.00 0.00 44.72 48.22 2dm3 s GLY 7 CO 0.51 2.27 -0.25 -1.36 0.00 0.00 0.00 173.10 174.26 2dm3 s PHE 8 N 1.13 2.32 0.64 1.90 0.40 -1.25 -4.77 117.98 118.34 2dm3 s PHE 8 Ca -0.06 -0.37 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2dm3 s PHE 8 Cb -0.05 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 2dm3 s PHE 8 CO -0.13 0.40 1.14 0.54 0.70 0.00 0.00 175.22 177.87 2dm3 n ARG 9 N 0.68 0.98 -2.11 0.44 1.74 -1.26 -3.54 116.66 113.60 2dm3 n ARG 9 Ca -0.16 0.39 -0.43 0.00 -0.77 0.00 0.00 57.85 56.88 2dm3 n ARG 9 Cb 0.54 -2.37 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dm3 s PRO 10 N -3.13 3.70 -0.16 5.56 0.04 -1.25 -4.48 135.00 135.29 2dm3 s PRO 10 Ca 0.80 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2dm3 s PRO 10 Cb -0.39 -4.06 0.02 0.00 0.04 0.00 0.00 34.50 30.11 2dm3 s PRO 10 CO 0.43 -1.42 -0.15 -1.58 0.04 0.00 0.00 177.00 174.33 2dm3 s HIS 11 N 5.52 2.29 -0.48 0.56 2.46 -0.65 -4.45 115.29 120.55 2dm3 s HIS 11 Ca 0.72 -1.32 -0.29 0.00 0.47 0.00 0.00 55.06 54.64 2dm3 s HIS 11 Cb -0.24 -1.65 0.02 0.00 -0.13 0.00 0.00 32.58 30.58 2dm3 s HIS 11 CO 0.30 -0.70 1.35 -0.06 -2.47 0.00 0.00 174.74 173.16 2dm3 s PHE 12 N 1.45 2.45 0.01 3.88 0.08 -1.26 -0.83 117.98 123.76 2dm3 s PHE 12 Ca 0.04 0.61 -0.25 0.00 0.12 0.00 0.00 56.93 57.45 2dm3 s PHE 12 Cb -0.13 -4.37 -0.18 0.00 -0.57 0.00 0.00 43.02 37.77 2dm3 s PHE 12 CO -0.11 -1.82 1.31 -0.07 -0.10 0.00 0.00 175.22 174.43 2dm3 h LEU 13 N 12.28 -0.16 -7.84 -0.37 3.38 -1.61 -3.42 115.31 117.56 2dm3 h LEU 13 Ca -0.26 -0.27 -0.64 0.00 0.09 0.00 0.00 57.88 56.80 2dm3 h LEU 13 Cb 1.09 0.04 -0.37 0.00 0.09 0.00 0.00 40.66 41.51 2dm3 h LEU 13 CO 1.13 0.20 -0.81 -1.58 0.09 0.00 0.00 178.44 177.47 2dm3 s GLN 14 N -4.69 2.21 0.04 1.13 0.74 -1.25 -5.02 119.66 112.81 2dm3 s GLN 14 Ca -0.15 -0.96 0.06 0.00 0.05 0.00 0.00 55.36 54.37 2dm3 s GLN 14 Cb 0.02 -2.55 -0.03 0.00 1.10 0.00 0.00 33.01 31.55 2dm3 s GLN 14 CO 0.61 -0.43 -0.15 0.00 -0.55 0.00 0.00 175.29 174.77 2dm3 s ALA 15 N 1.32 2.71 1.09 1.58 0.00 -1.26 -2.92 121.76 124.27 2dm3 s ALA 15 Ca -0.02 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2dm3 s ALA 15 Cb -0.17 -0.83 0.11 0.00 0.00 0.00 0.00 23.12 22.23 2dm3 s ALA 15 CO -0.08 0.59 0.38 -0.35 0.00 0.00 0.00 175.76 176.30 2dm3 n PRO 16 N 1.50 -1.76 0.00 0.00 -0.04 -1.26 -5.09 135.00 128.35 2dm3 n PRO 16 Ca -0.16 -0.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.69 2dm3 n PRO 16 Cb 0.52 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N -0.08 3.62 3.21 0.55 0.00 -1.26 -4.93 105.19 106.32 2dm3 n GLY 17 Ca 0.05 -0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.38 5.41 0.40 1.61 -4.77 -1.25 -2.30 116.67 117.14 2dm3 s ASP 18 Ca 0.00 -1.59 0.08 0.00 -3.30 0.00 0.00 52.55 47.73 2dm3 s ASP 18 Cb 0.00 -1.90 -0.01 0.00 -1.09 0.00 0.00 42.92 39.92 2dm3 s ASP 18 CO 0.00 -0.49 0.44 -0.76 0.70 0.00 0.00 175.17 175.06 2dm3 s LEU 19 N 1.32 3.55 -0.05 2.11 1.43 -1.21 -4.94 118.68 120.89 2dm3 s LEU 19 Ca 0.03 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 2dm3 s LEU 19 Cb -0.22 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.69 2dm3 s LEU 19 CO -0.00 -0.63 -0.02 -0.89 0.23 0.00 0.00 176.35 175.04 2dm3 s THR 20 N -2.39 0.40 -0.02 5.49 2.01 -1.26 -0.56 115.64 119.32 2dm3 s THR 20 Ca 0.49 -0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.49 2dm3 s THR 20 Cb -0.06 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.99 2dm3 s THR 20 CO 0.30 0.22 0.03 -0.69 -0.69 0.00 0.00 174.62 173.78 2dm3 s VAL 21 N 1.25 -0.04 0.03 3.82 1.01 -0.44 -5.01 120.40 121.02 2dm3 s VAL 21 Ca -0.06 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2dm3 s VAL 21 Cb -0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2dm3 s VAL 21 CO -0.02 0.10 1.27 -1.58 0.00 0.00 0.00 175.10 174.88 2dm3 s GLN 22 N 1.17 4.37 0.13 2.72 0.74 -1.26 -2.12 119.66 125.41 2dm3 s GLN 22 Ca -0.08 1.83 -0.23 0.00 0.05 0.00 0.00 55.36 56.94 2dm3 s GLN 22 Cb -0.13 -3.43 -0.13 0.00 1.10 0.00 0.00 33.01 30.41 2dm3 s GLN 22 CO -0.03 -0.39 0.46 -1.91 -0.55 0.00 0.00 175.29 172.87 2dm3 n GLU 23 N 4.54 0.00 -1.75 1.67 2.13 0.33 -1.73 120.64 125.83 2dm3 n GLU 23 Ca 0.11 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.90 2dm3 n GLU 23 Cb 0.45 -0.83 -0.00 0.00 0.27 0.00 0.00 31.44 31.33 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 1.49 0.36 3.63 8.31 0.00 -0.60 -4.66 105.19 113.71 2dm3 n GLY 24 Ca 0.14 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -3.55 1.98 -0.01 1.61 -0.14 -0.70 -4.78 119.74 114.16 2dm3 s LYS 25 Ca 0.00 -2.18 -0.24 0.00 -1.36 0.00 0.00 55.97 52.18 2dm3 s LYS 25 Cb 0.00 -1.34 -0.05 0.00 -1.68 0.00 0.00 37.83 34.76 2dm3 s LYS 25 CO 0.00 -0.23 0.73 -1.17 -0.76 0.00 0.00 175.35 173.92 2dm3 s LEU 26 N -3.72 4.39 -0.29 3.17 1.98 -1.26 -3.59 118.68 119.36 2dm3 s LEU 26 Ca 0.24 1.32 0.02 0.00 -2.89 0.00 0.00 54.13 52.82 2dm3 s LEU 26 Cb 0.06 -3.15 0.08 0.00 0.66 0.00 0.00 46.19 43.84 2dm3 s LEU 26 CO 0.12 -0.04 0.02 0.00 -1.89 0.00 0.00 176.35 174.56 2dm3 s ARG 28 N 1.27 3.04 -0.01 0.00 3.52 -1.26 -0.91 118.95 124.60 2dm3 s ARG 28 Ca 0.03 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 2dm3 s ARG 28 Cb -0.19 -2.84 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2dm3 s ARG 28 CO -0.11 0.65 -0.03 -1.64 -0.81 0.00 0.00 175.30 173.35 2dm3 s MET 29 N -1.72 0.36 0.01 5.12 -1.94 -1.15 -4.98 119.30 115.00 2dm3 s MET 29 Ca 0.23 -0.08 0.07 0.00 -1.71 0.00 0.00 55.69 54.20 2dm3 s MET 29 Cb -0.12 -0.41 -0.02 0.00 2.01 0.00 0.00 34.83 36.29 2dm3 s MET 29 CO 0.14 0.01 -0.22 0.16 -0.01 0.00 0.00 175.02 175.10 2dm3 s ASP 30 N 0.31 2.58 -0.24 3.03 -4.77 -1.26 -2.56 116.67 113.76 2dm3 s ASP 30 Ca -0.03 -0.45 -0.13 0.00 -3.30 0.00 0.00 52.55 48.64 2dm3 s ASP 30 Cb -0.06 -0.26 0.07 0.00 -1.09 0.00 0.00 42.92 41.58 2dm3 s ASP 30 CO -0.01 0.24 0.58 0.00 0.70 0.00 0.00 175.17 176.68 2dm3 s LYS 32 N 1.58 2.89 -0.05 0.00 2.20 -1.15 -1.48 119.74 123.74 2dm3 s LYS 32 Ca -0.10 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 2dm3 s LYS 32 Cb -0.06 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 2dm3 s LYS 32 CO -0.17 0.54 -0.09 0.54 -0.36 0.00 0.00 175.35 175.81 2dm3 s VAL 33 N -0.48 0.86 -0.11 4.02 0.11 -1.26 -1.42 120.40 122.12 2dm3 s VAL 33 Ca 0.07 -0.35 -0.09 0.00 -2.93 0.00 0.00 61.98 58.68 2dm3 s VAL 33 Cb -0.12 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2dm3 s VAL 33 CO 0.02 0.28 0.20 -0.55 -3.33 0.00 0.00 175.10 171.72 2dm3 s SER 34 N 0.56 6.46 0.00 3.54 0.15 -0.01 -4.72 113.70 119.67 2dm3 s SER 34 Ca -0.10 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2dm3 s SER 34 Cb -0.13 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dm3 s SER 34 CO 0.02 0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2dm3 n GLY 35 N 2.17 2.91 3.11 9.45 0.00 -1.26 -1.63 105.19 119.93 2dm3 n GLY 35 Ca -0.18 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 2dm3 n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dm3 s LEU 36 N 0.00 2.07 0.53 0.99 1.43 -1.23 -4.12 118.68 118.35 2dm3 s LEU 36 Ca 0.00 -0.77 0.32 0.00 -1.03 0.00 0.00 54.13 52.65 2dm3 s LEU 36 Cb 0.00 0.47 1.32 0.00 0.03 0.00 0.00 46.19 48.01 2dm3 s LEU 36 CO 0.00 -0.58 1.97 1.55 0.23 0.00 0.00 176.35 179.52 2dm3 h PRO 37 N 3.32 0.00 -0.23 1.29 0.13 -1.93 -3.35 132.00 131.24 2dm3 h PRO 37 Ca -0.33 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.04 2dm3 h PRO 37 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 2dm3 h PRO 37 CO 0.58 0.05 0.10 0.99 -0.23 0.00 0.00 178.00 179.49 2dm3 s THR 38 N -3.72 -0.23 -0.20 1.56 2.01 -1.26 -5.08 115.64 108.72 2dm3 s THR 38 Ca 0.01 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2dm3 s THR 38 Cb 0.10 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 2dm3 s THR 38 CO 0.56 0.00 1.60 -2.16 -0.69 0.00 0.00 174.62 173.93 2dm3 s PRO 39 N 2.97 3.85 -0.15 4.92 0.04 -1.26 -4.82 135.00 140.55 2dm3 s PRO 39 Ca 0.12 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.64 2dm3 s PRO 39 Cb -0.06 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 2dm3 s PRO 39 CO -0.16 -1.22 0.68 0.34 0.04 0.00 0.00 177.00 176.68 2dm3 s ASP 40 N 4.02 6.83 0.11 6.66 -1.08 -0.86 -4.80 116.67 127.55 2dm3 s ASP 40 Ca 0.71 1.01 0.10 0.00 -0.52 0.00 0.00 52.55 53.85 2dm3 s ASP 40 Cb -0.25 -2.39 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2dm3 s ASP 40 CO 0.28 -0.23 -0.26 -1.48 0.52 0.00 0.00 175.17 174.00 2dm3 s LEU 41 N 1.54 2.28 -0.02 -1.34 2.34 -1.26 -0.25 118.68 121.97 2dm3 s LEU 41 Ca 0.33 -0.71 0.05 0.00 0.06 0.00 0.00 54.13 53.86 2dm3 s LEU 41 Cb -0.16 -1.21 -0.01 0.00 -0.56 0.00 0.00 46.19 44.25 2dm3 s LEU 41 CO 0.13 0.19 -0.17 -0.55 -1.06 0.00 0.00 176.35 174.89 2dm3 s SER 42 N -1.86 2.02 0.25 1.48 0.15 -1.18 -4.96 113.70 109.60 2dm3 s SER 42 Ca 0.13 -0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.23 2dm3 s SER 42 Cb -0.10 -0.31 -0.09 0.00 -1.71 0.00 0.00 66.02 63.82 2dm3 s SER 42 CO 0.05 0.19 0.82 0.26 1.20 0.00 0.00 173.24 175.76 2dm3 s TRP 43 N -0.29 3.72 -0.05 3.44 0.52 -1.26 -3.17 118.94 121.85 2dm3 s TRP 43 Ca 0.04 1.59 -0.02 0.00 0.02 0.00 0.00 56.10 57.73 2dm3 s TRP 43 Cb -0.08 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2dm3 s TRP 43 CO -0.00 0.32 0.09 -0.65 0.02 0.00 0.00 176.95 176.73 2dm3 s GLN 44 N -1.85 -0.01 -0.23 4.98 -0.21 -1.11 -2.82 119.66 118.40 2dm3 s GLN 44 Ca 0.44 0.34 -0.01 0.00 0.02 0.00 0.00 55.36 56.15 2dm3 s GLN 44 Cb -0.19 -0.30 0.02 0.00 1.00 0.00 0.00 33.01 33.55 2dm3 s GLN 44 CO 0.23 -0.23 -0.08 -1.17 -2.12 0.00 0.00 175.29 171.92 2dm3 s LEU 45 N 1.55 2.98 -1.28 2.90 2.96 0.13 -1.45 118.68 126.46 2dm3 s LEU 45 Ca -0.04 -0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 53.06 2dm3 s LEU 45 Cb -0.12 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2dm3 s LEU 45 CO -0.04 -0.09 0.99 0.47 -1.32 0.00 0.00 176.35 176.36 2dm3 n ASP 46 N 4.67 -3.12 -3.03 3.68 8.00 -1.25 -2.22 116.55 123.27 2dm3 n ASP 46 Ca -0.17 -0.65 -0.21 0.00 0.71 0.00 0.00 54.79 54.47 2dm3 n ASP 46 Cb 0.48 -4.83 0.06 0.00 -0.02 0.00 0.00 41.12 36.81 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm3 n GLY 47 N -1.46 -0.37 3.15 0.44 0.00 -1.26 -5.01 105.19 100.68 2dm3 n GLY 47 Ca -0.20 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -5.95 0.41 -0.53 1.61 1.02 -0.94 -5.11 119.74 110.24 2dm3 s LYS 48 Ca 0.43 0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.24 2dm3 s LYS 48 Cb -0.19 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 2dm3 s LYS 48 CO 0.53 -0.08 1.81 -1.25 -0.92 0.00 0.00 175.35 175.45 2dm3 s PRO 49 N -0.47 2.85 0.04 -1.68 0.04 -1.26 0.22 135.00 134.75 2dm3 s PRO 49 Ca -0.06 0.81 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2dm3 s PRO 49 Cb -0.04 -4.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2dm3 s PRO 49 CO 0.01 -2.45 1.17 0.54 0.04 0.00 0.00 177.00 176.31 2dm3 s VAL 50 N 8.32 4.17 -0.01 -0.36 0.11 -1.13 -4.92 120.40 126.58 2dm3 s VAL 50 Ca 0.69 1.55 0.02 0.00 -2.93 0.00 0.00 61.98 61.32 2dm3 s VAL 50 Cb -0.15 -4.00 -0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2dm3 s VAL 50 CO 0.24 0.11 -0.03 0.00 -3.33 0.00 0.00 175.10 172.09 2dm3 s ARG 51 N 1.19 2.72 0.06 1.54 1.70 -1.26 -4.75 118.95 120.15 2dm3 s ARG 51 Ca 0.57 -0.63 -0.31 0.00 -0.47 0.00 0.00 55.73 54.90 2dm3 s ARG 51 Cb -0.28 -2.61 -0.07 0.00 -0.57 0.00 0.00 34.95 31.42 2dm3 s ARG 51 CO 0.28 0.63 1.40 -1.25 -1.08 0.00 0.00 175.30 175.28 2dm3 s PRO 52 N -1.41 4.30 0.38 3.89 0.04 -1.26 -4.85 135.00 136.10 2dm3 s PRO 52 Ca 0.18 2.03 0.05 0.00 0.04 0.00 0.00 61.00 63.29 2dm3 s PRO 52 Cb -0.11 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 2dm3 s PRO 52 CO 0.08 -0.51 0.17 -3.47 0.04 0.00 0.00 177.00 173.31 2dm3 n ASP 53 N 4.66 0.88 -0.51 6.66 2.03 0.18 -4.92 116.55 125.53 2dm3 n ASP 53 Ca 0.12 -3.11 0.43 0.00 0.52 0.00 0.00 54.79 52.75 2dm3 n ASP 53 Cb 0.43 1.11 0.76 0.00 -0.72 0.00 0.00 41.12 42.70 2dm3 n ASP 53 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2dm3 h SER 54 N 1.65 0.06 0.00 1.67 0.87 -1.96 -1.22 113.55 114.62 2dm3 h SER 54 Ca -0.29 0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.07 2dm3 h SER 54 Cb 1.18 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2dm3 h SER 54 CO 0.46 -0.02 -1.38 0.00 -0.53 0.00 0.00 176.83 175.36 2dm3 n ALA 55 N -2.79 0.82 -2.63 6.23 0.00 -1.26 -4.86 120.51 116.02 2dm3 n ALA 55 Ca 0.36 -0.64 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2dm3 n ALA 55 Cb 1.60 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.77 2dm3 n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm3 s HIS 56 N -2.41 3.22 -0.18 0.00 3.76 -0.46 -2.41 115.29 116.80 2dm3 s HIS 56 Ca -0.28 1.08 0.01 0.00 -0.15 0.00 0.00 55.06 55.72 2dm3 s HIS 56 Cb 0.07 -3.37 0.02 0.00 1.11 0.00 0.00 32.58 30.41 2dm3 s HIS 56 CO 0.48 -0.60 -0.19 0.21 -0.85 0.00 0.00 174.74 173.79 2dm3 s LYS 57 N 3.22 2.90 -0.12 1.40 2.20 0.37 0.52 119.74 130.22 2dm3 s LYS 57 Ca 0.39 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 55.08 2dm3 s LYS 57 Cb -0.14 -2.53 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2dm3 s LYS 57 CO 0.12 -0.22 0.21 -1.64 -0.36 0.00 0.00 175.35 173.46 2dm3 s MET 58 N 1.31 3.80 0.03 4.03 -1.94 -1.26 -1.33 119.30 123.93 2dm3 s MET 58 Ca 0.05 -0.01 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 2dm3 s MET 58 Cb -0.13 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 2dm3 s MET 58 CO -0.13 0.59 -0.03 -0.51 -0.01 0.00 0.00 175.02 174.93 2dm3 s LEU 59 N -0.53 3.36 -0.19 -0.03 1.43 -0.36 -5.01 118.68 117.35 2dm3 s LEU 59 Ca 0.15 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2dm3 s LEU 59 Cb -0.13 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.18 2dm3 s LEU 59 CO 0.04 0.25 0.08 -0.69 0.23 0.00 0.00 176.35 176.27 2dm3 s VAL 60 N -1.11 0.05 0.81 -1.59 1.01 -1.26 -3.41 120.40 114.90 2dm3 s VAL 60 Ca 0.20 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2dm3 s VAL 60 Cb -0.11 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.70 2dm3 s VAL 60 CO 0.11 -0.31 1.11 -0.13 0.00 0.00 0.00 175.10 175.88 2dm3 s ARG 61 N 2.07 1.31 -0.25 2.72 1.81 -0.97 -4.99 118.95 120.65 2dm3 s ARG 61 Ca 0.02 -0.89 0.12 0.00 -1.72 0.00 0.00 55.73 53.26 2dm3 s ARG 61 Cb -0.16 -2.17 0.74 0.00 -0.45 0.00 0.00 34.95 32.91 2dm3 s ARG 61 CO -0.12 -1.79 1.68 -1.91 -0.68 0.00 0.00 175.30 172.49 2dm3 n GLU 62 N -3.16 4.28 0.00 3.54 2.13 -1.26 -3.96 120.64 122.21 2dm3 n GLU 62 Ca 0.15 -2.89 0.00 0.00 0.66 0.00 0.00 57.16 55.08 2dm3 n GLU 62 Cb 0.60 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dm3 n ASN 63 N 0.36 0.78 0.00 4.31 4.13 -1.26 -4.99 115.26 118.59 2dm3 n ASN 63 Ca 0.30 -1.31 0.00 0.00 1.68 0.00 0.00 54.58 55.25 2dm3 n ASN 63 Cb 1.19 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dm3 n GLY 64 N -0.15 2.08 3.76 7.41 0.00 -1.25 -4.87 105.19 112.17 2dm3 n GLY 64 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N -2.42 2.11 0.15 1.61 1.01 -1.26 -4.30 120.40 117.31 2dm3 s VAL 65 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2dm3 s VAL 65 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2dm3 s VAL 65 CO 0.00 0.02 -0.09 -1.00 0.00 0.00 0.00 175.10 174.03 2dm3 s HIS 66 N -0.41 1.29 -0.18 5.22 3.76 -0.55 -2.30 115.29 122.13 2dm3 s HIS 66 Ca 0.59 -0.77 -0.27 0.00 -0.15 0.00 0.00 55.06 54.46 2dm3 s HIS 66 Cb -0.47 -0.66 0.07 0.00 1.11 0.00 0.00 32.58 32.62 2dm3 s HIS 66 CO 0.53 0.07 0.68 -1.12 -0.85 0.00 0.00 174.74 174.05 2dm3 s SER 67 N -3.18 -0.69 -0.27 1.40 0.01 -1.22 -1.84 113.70 107.90 2dm3 s SER 67 Ca 0.18 1.12 0.02 0.00 1.31 0.00 0.00 55.95 58.57 2dm3 s SER 67 Cb 0.03 1.07 0.07 0.00 0.21 0.00 0.00 66.02 67.40 2dm3 s SER 67 CO 0.01 -0.39 -0.02 -0.22 0.41 0.00 0.00 173.24 173.04 2dm3 s LEU 68 N -0.25 3.19 -0.08 2.44 2.96 -1.06 -1.22 118.68 124.66 2dm3 s LEU 68 Ca -0.04 -1.51 -0.05 0.00 -0.22 0.00 0.00 54.13 52.31 2dm3 s LEU 68 Cb -0.03 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 2dm3 s LEU 68 CO 0.04 -0.29 0.14 -0.63 -1.32 0.00 0.00 176.35 174.30 2dm3 s ILE 69 N 1.26 5.36 -0.04 6.68 1.01 -0.44 -2.92 121.20 132.11 2dm3 s ILE 69 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.69 2dm3 s ILE 69 Cb -0.19 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2dm3 s ILE 69 CO -0.09 0.51 -0.05 -0.63 0.00 0.00 0.00 174.94 174.68 2dm3 s ILE 70 N -1.12 0.55 -0.30 2.92 1.01 -0.08 -0.48 121.20 123.70 2dm3 s ILE 70 Ca 0.19 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.52 2dm3 s ILE 70 Cb -0.12 -0.55 0.17 0.00 0.01 0.00 0.00 42.46 41.97 2dm3 s ILE 70 CO 0.09 0.21 1.07 -0.70 0.00 0.00 0.00 174.94 175.61 2dm3 s GLU 71 N 0.70 0.24 1.11 2.79 -6.30 -1.01 -1.69 118.70 114.54 2dm3 s GLU 71 Ca -0.10 0.52 -0.19 0.00 -2.50 0.00 0.00 54.97 52.71 2dm3 s GLU 71 Cb -0.13 0.21 0.28 0.00 0.00 0.00 0.00 34.13 34.49 2dm3 s GLU 71 CO 0.00 -0.07 0.98 -0.35 0.02 0.00 0.00 175.26 175.85 2dm3 n PRO 72 N 4.26 -2.95 -5.01 4.30 -0.04 -1.26 -4.33 135.00 129.97 2dm3 n PRO 72 Ca -0.13 -1.57 -0.32 0.00 -0.04 0.00 0.00 63.50 61.44 2dm3 n PRO 72 Cb 0.55 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 2dm3 n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dm3 s VAL 73 N -2.78 2.55 0.48 0.52 1.01 -1.24 -4.91 120.40 116.03 2dm3 s VAL 73 Ca 0.64 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2dm3 s VAL 73 Cb -0.06 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.31 2dm3 s VAL 73 CO 0.49 0.55 0.42 0.42 0.00 0.00 0.00 175.10 176.98 2dm3 s THR 74 N 0.26 2.21 0.29 3.92 -4.23 -1.26 -1.56 115.64 115.27 2dm3 s THR 74 Ca -0.13 -1.38 0.17 0.00 -1.18 0.00 0.00 61.69 59.17 2dm3 s THR 74 Cb -0.16 -2.59 0.12 0.00 1.34 0.00 0.00 72.50 71.21 2dm3 s THR 74 CO 0.07 0.00 1.80 0.77 -0.54 0.00 0.00 174.62 176.72 2dm3 h SER 75 N 0.85 0.00 1.16 3.99 4.64 -1.98 -2.48 113.55 119.73 2dm3 h SER 75 Ca -0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2dm3 h SER 75 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2dm3 h SER 75 CO 0.56 0.37 -0.02 0.08 -0.87 0.00 0.00 176.83 176.95 2dm3 h ARG 76 N 0.00 0.00 0.00 4.77 0.11 -2.00 -2.87 114.38 114.39 2dm3 h ARG 76 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2dm3 h ARG 76 Cb 0.75 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 2dm3 h ARG 76 CO 0.05 0.02 -0.14 -0.44 0.10 0.00 0.00 179.97 179.56 2dm3 h ASP 77 N 0.00 0.00 -3.14 0.08 3.32 -1.84 -3.42 116.42 111.42 2dm3 h ASP 77 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2dm3 h ASP 77 Cb 0.61 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.17 2dm3 h ASP 77 CO 0.00 0.14 0.62 0.00 -1.72 0.00 0.00 179.24 178.28 2dm3 s ALA 78 N -4.52 3.47 0.00 3.45 0.00 -1.09 -4.90 121.76 118.17 2dm3 s ALA 78 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2dm3 s ALA 78 Cb 0.15 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2dm3 s ALA 78 CO 0.65 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2dm3 n GLY 79 N 3.25 -0.64 3.08 0.00 0.00 -1.23 -4.99 105.19 104.66 2dm3 n GLY 79 Ca 0.10 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -3.74 2.62 -0.44 -0.61 -1.09 -1.26 -2.73 121.20 113.95 2dm3 s ILE 80 Ca 0.00 -1.99 -0.28 0.00 -2.23 0.00 0.00 60.65 56.15 2dm3 s ILE 80 Cb 0.00 -2.76 0.03 0.00 -1.58 0.00 0.00 42.46 38.14 2dm3 s ILE 80 CO 0.00 -0.44 1.04 -0.31 -1.23 0.00 0.00 174.94 174.00 2dm3 s TYR 81 N 1.05 2.91 -0.33 3.97 2.02 -1.17 -3.83 117.35 121.97 2dm3 s TYR 81 Ca 0.04 0.68 -0.09 0.00 -0.37 0.00 0.00 57.07 57.33 2dm3 s TYR 81 Cb -0.20 -4.13 0.01 0.00 -0.40 0.00 0.00 41.96 37.24 2dm3 s TYR 81 CO -0.05 -1.11 0.15 0.99 -1.57 0.00 0.00 175.55 173.95 2dm3 s THR 82 N 4.05 4.36 -0.09 -0.71 2.01 -0.53 -3.52 115.64 121.22 2dm3 s THR 82 Ca 0.43 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 2dm3 s THR 82 Cb -0.09 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2dm3 s THR 82 CO 0.27 -0.06 -0.01 0.00 -0.69 0.00 0.00 174.62 174.13 2dm3 s ILE 84 N -0.84 1.72 -0.31 0.00 1.01 -1.19 -2.44 121.20 119.16 2dm3 s ILE 84 Ca 0.13 -1.21 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 2dm3 s ILE 84 Cb -0.11 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2dm3 s ILE 84 CO 0.02 0.04 0.44 0.00 0.00 0.00 0.00 174.94 175.45 2dm3 s ALA 85 N 1.33 3.52 -0.23 9.38 0.00 0.17 -3.09 121.76 132.85 2dm3 s ALA 85 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2dm3 s ALA 85 Cb -0.18 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2dm3 s ALA 85 CO -0.07 -0.95 -0.04 0.99 0.00 0.00 0.00 175.76 175.70 2dm3 s THR 86 N 2.22 3.29 0.26 0.00 2.01 0.66 0.10 115.64 124.17 2dm3 s THR 86 Ca 0.17 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.65 2dm3 s THR 86 Cb -0.16 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 2dm3 s THR 86 CO 0.11 0.35 -0.17 0.21 -0.69 0.00 0.00 174.62 174.43 2dm3 s ASN 87 N 1.44 3.75 0.66 3.53 2.47 0.13 -2.03 114.94 124.91 2dm3 s ASN 87 Ca 0.04 -0.92 0.17 0.00 0.42 0.00 0.00 52.86 52.57 2dm3 s ASN 87 Cb -0.15 -0.40 0.94 0.00 -1.45 0.00 0.00 41.25 40.19 2dm3 s ASN 87 CO -0.03 0.05 1.53 -0.09 -3.72 0.00 0.00 177.10 174.83 2dm3 h ARG 88 N 2.37 0.00 0.00 0.43 9.65 -1.88 0.07 114.38 125.03 2dm3 h ARG 88 Ca -0.42 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.39 2dm3 h ARG 88 Cb 1.25 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 2dm3 h ARG 88 CO 0.58 0.00 -0.47 0.00 2.80 0.00 0.00 179.97 182.88 2dm3 h ALA 89 N 0.77 0.08 -3.00 2.80 0.00 -1.80 -3.50 119.26 114.60 2dm3 h ALA 89 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2dm3 h ALA 89 Cb 1.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dm3 h ALA 89 CO -0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2dm3 n GLY 90 N 1.60 3.34 3.33 0.00 0.00 0.01 -4.85 105.19 108.62 2dm3 n GLY 90 Ca -0.13 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 4.04 0.71 0.14 1.61 0.74 -1.26 0.22 119.66 125.85 2dm3 s GLN 91 Ca 0.00 0.13 -0.04 0.00 0.05 0.00 0.00 55.36 55.50 2dm3 s GLN 91 Cb 0.00 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 2dm3 s GLN 91 CO 0.00 -0.18 0.14 -0.80 -0.55 0.00 0.00 175.29 173.90 2dm3 s ASN 92 N -0.86 0.21 0.18 6.67 -0.87 0.11 -4.88 114.94 115.51 2dm3 s ASN 92 Ca -0.09 -1.05 -0.16 0.00 -1.57 0.00 0.00 52.86 49.99 2dm3 s ASN 92 Cb -0.04 0.35 0.02 0.00 -0.02 0.00 0.00 41.25 41.57 2dm3 s ASN 92 CO 0.04 -0.79 0.48 -0.55 -2.57 0.00 0.00 177.10 173.72 2dm3 s SER 93 N -3.00 -0.22 0.15 -1.22 0.15 -1.26 0.46 113.70 108.76 2dm3 s SER 93 Ca 0.20 -0.51 -0.16 0.00 0.70 0.00 0.00 55.95 56.18 2dm3 s SER 93 Cb 0.06 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.94 2dm3 s SER 93 CO 0.00 -1.01 0.42 0.72 1.20 0.00 0.00 173.24 174.57 2dm3 s PHE 94 N -3.88 -0.10 0.22 3.44 -0.12 -1.02 -5.02 117.98 111.50 2dm3 s PHE 94 Ca 0.09 -0.23 0.11 0.00 -0.05 0.00 0.00 56.93 56.86 2dm3 s PHE 94 Cb -0.00 0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.60 2dm3 s PHE 94 CO -0.04 -0.77 -0.21 -1.54 -0.05 0.00 0.00 175.22 172.61 2dm3 s SER 95 N -2.85 3.56 0.15 1.98 1.04 -1.26 -3.21 113.70 113.11 2dm3 s SER 95 Ca 0.07 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.41 2dm3 s SER 95 Cb 0.01 -0.31 0.05 0.00 0.10 0.00 0.00 66.02 65.87 2dm3 s SER 95 CO -0.08 0.09 0.50 -1.48 0.98 0.00 0.00 173.24 173.26 2dm3 s LEU 96 N -2.96 -0.03 0.13 2.42 0.05 -1.23 -4.92 118.68 112.13 2dm3 s LEU 96 Ca 0.24 -0.23 0.09 0.00 0.05 0.00 0.00 54.13 54.28 2dm3 s LEU 96 Cb -0.07 2.19 -0.04 0.00 -2.05 0.00 0.00 46.19 46.22 2dm3 s LEU 96 CO 0.12 -0.94 -0.22 -0.70 -0.55 0.00 0.00 176.35 174.06 2dm3 s GLU 97 N -3.80 1.24 -0.05 1.48 2.12 -0.97 -3.07 118.70 115.65 2dm3 s GLU 97 Ca 0.03 -1.28 -0.02 0.00 0.36 0.00 0.00 54.97 54.07 2dm3 s GLU 97 Cb 0.00 -1.50 0.03 0.00 0.26 0.00 0.00 34.13 32.92 2dm3 s GLU 97 CO -0.10 0.34 0.05 -1.17 -0.54 0.00 0.00 175.26 173.84 2dm3 s LEU 98 N -2.16 0.24 -0.16 2.70 2.96 -1.11 -3.34 118.68 117.81 2dm3 s LEU 98 Ca 0.11 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2dm3 s LEU 98 Cb -0.09 -0.21 -0.05 0.00 0.50 0.00 0.00 46.19 46.35 2dm3 s LEU 98 CO 0.06 -0.24 0.15 -0.69 -1.32 0.00 0.00 176.35 174.30 2dm3 s VAL 99 N 2.13 5.44 -0.21 1.68 1.01 0.28 -3.47 120.40 127.25 2dm3 s VAL 99 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2dm3 s VAL 99 Cb -0.12 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.85 2dm3 s VAL 99 CO -0.04 0.52 -0.07 0.54 0.00 0.00 0.00 175.10 176.05 2dm3 s VAL 100 N -0.26 1.46 -0.24 2.92 0.11 -1.26 -1.32 120.40 121.81 2dm3 s VAL 100 Ca 0.12 -1.04 -0.22 0.00 -2.93 0.00 0.00 61.98 57.90 2dm3 s VAL 100 Cb -0.12 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 2dm3 s VAL 100 CO 0.01 0.01 0.72 0.00 -3.33 0.00 0.00 175.10 172.51 2dm3 s ALA 101 N 1.45 3.62 0.92 1.54 0.00 -0.90 -4.82 121.76 123.56 2dm3 s ALA 101 Ca -0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 2dm3 s ALA 101 Cb -0.17 -3.14 0.05 0.00 0.00 0.00 0.00 23.12 19.86 2dm3 s ALA 101 CO -0.07 -0.83 0.60 0.00 0.00 0.00 0.00 175.76 175.46 2dm3 n ALA 102 N 5.77 -2.03 -1.48 0.00 0.00 -1.26 -0.51 120.51 120.99 2dm3 n ALA 102 Ca 0.02 -0.55 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 2dm3 n ALA 102 Cb 0.48 -1.90 0.05 0.00 0.00 0.00 0.00 19.45 18.08 2dm3 n ALA 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dm3 s LYS 103 N -3.77 2.74 -1.40 0.00 2.20 -1.26 -4.64 119.74 113.61 2dm3 s LYS 103 Ca 0.60 1.33 -0.10 0.00 -0.36 0.00 0.00 55.97 57.45 2dm3 s LYS 103 Cb -0.23 -1.95 0.08 0.00 -1.51 0.00 0.00 37.83 34.22 2dm3 s LYS 103 CO 0.64 -1.29 2.30 -0.85 -0.36 0.00 0.00 175.35 175.79 2dm3 n GLU 104 N -2.59 3.70 -1.69 4.03 0.28 -1.26 -4.97 120.64 118.15 2dm3 n GLU 104 Ca 0.10 -3.04 -0.42 0.00 -0.16 0.00 0.00 57.16 53.64 2dm3 n GLU 104 Cb 0.52 -2.91 -0.03 0.00 1.43 0.00 0.00 31.44 30.45 2dm3 n GLU 104 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dm3 n SER 105 N 3.79 4.05 -3.69 -1.84 2.88 -1.26 -4.95 113.62 112.60 2dm3 n SER 105 Ca 0.56 0.98 -0.04 0.00 -1.33 0.00 0.00 58.87 59.04 2dm3 n SER 105 Cb 0.31 -1.54 -0.01 0.00 -0.75 0.00 0.00 64.21 62.22 2dm3 n SER 105 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm3 s GLY 106 N 2.91 -0.30 0.00 0.46 0.00 -1.26 -5.00 107.32 104.13 2dm3 s GLY 106 Ca 0.83 0.39 0.13 0.00 0.00 0.00 0.00 44.72 46.06 2dm3 s GLY 106 CO 0.38 0.09 1.18 -1.55 0.00 0.00 0.00 173.10 173.20 2dm3 n PRO 107 N -0.42 0.49 -3.44 2.90 -0.04 -1.26 -4.75 135.00 128.48 2dm3 n PRO 107 Ca -0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.11 2dm3 n PRO 107 Cb 0.61 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2dm3 n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dm3 s SER 108 N -1.91 6.42 -0.37 3.54 0.15 -1.26 -5.07 113.70 115.21 2dm3 s SER 108 Ca 0.19 0.61 -0.13 0.00 0.70 0.00 0.00 55.95 57.32 2dm3 s SER 108 Cb 0.09 -2.10 -0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2dm3 s SER 108 CO 0.15 -0.16 0.26 -0.44 1.20 0.00 0.00 173.24 174.25 2dm3 s SER 109 N -3.21 6.04 0.00 5.45 0.01 -1.26 -5.10 113.70 115.63 2dm3 s SER 109 Ca 0.42 -0.63 0.20 0.00 1.31 0.00 0.00 55.95 57.25 2dm3 s SER 109 Cb -0.11 -2.13 0.16 0.00 0.21 0.00 0.00 66.02 64.14 2dm3 s SER 109 CO 0.30 -0.32 1.12 0.61 0.41 0.00 0.00 173.24 175.36