#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 n SER 2 N 0.00 -0.23 0.01 1.61 3.41 -1.26 -4.99 113.62 112.17 2dm4 n SER 2 Ca 0.00 0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 58.97 2dm4 n SER 2 Cb 0.00 -1.41 -0.00 0.00 -0.26 0.00 0.00 64.21 62.53 2dm4 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dm4 n SER 3 N -3.72 0.55 0.00 4.04 2.88 -1.26 -5.14 113.62 110.97 2dm4 n SER 3 Ca 0.11 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2dm4 n SER 3 Cb 0.52 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2dm4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 4 N 3.08 3.11 2.99 0.46 0.00 -1.26 -5.15 105.19 108.42 2dm4 n GLY 4 Ca -0.02 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 2dm4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 5 N 0.00 1.12 -1.68 1.61 0.01 -1.26 -4.82 113.70 108.68 2dm4 s SER 5 Ca 0.00 -0.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.96 2dm4 s SER 5 Cb 0.00 -0.30 0.12 0.00 0.21 0.00 0.00 66.02 66.05 2dm4 s SER 5 CO 0.00 0.06 0.52 -1.20 0.41 0.00 0.00 173.24 173.02 2dm4 n SER 6 N 3.31 -1.54 -4.03 2.44 7.64 -1.26 -4.90 113.62 115.28 2dm4 n SER 6 Ca -0.18 -1.13 -0.30 0.00 1.01 0.00 0.00 58.87 58.27 2dm4 n SER 6 Cb 0.54 -2.24 0.24 0.00 -1.01 0.00 0.00 64.21 61.74 2dm4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm4 s GLY 7 N -3.68 1.54 0.23 0.23 0.00 -1.26 -4.90 107.32 99.47 2dm4 s GLY 7 Ca 0.50 -0.71 0.22 0.00 0.00 0.00 0.00 44.72 44.74 2dm4 s GLY 7 CO 0.97 0.12 1.68 -1.55 0.00 0.00 0.00 173.10 174.31 2dm4 n PRO 8 N -4.81 0.17 -0.33 2.90 -0.04 -1.26 -3.55 135.00 128.08 2dm4 n PRO 8 Ca 0.10 0.41 0.20 0.00 -0.04 0.00 0.00 63.50 64.16 2dm4 n PRO 8 Cb 0.58 -1.83 0.38 0.00 -0.04 0.00 0.00 33.50 32.60 2dm4 n PRO 8 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dm4 h ASP 9 N 0.00 -0.14 -4.27 3.54 1.82 -1.79 -3.25 116.42 112.32 2dm4 h ASP 9 Ca 0.00 0.26 -0.50 0.00 -0.39 0.00 0.00 57.03 56.40 2dm4 h ASP 9 Cb 0.34 0.38 0.08 0.00 0.68 0.00 0.00 39.33 40.81 2dm4 h ASP 9 CO 0.00 -0.34 0.37 0.00 -1.61 0.00 0.00 179.24 177.67 2dm4 s ALA 10 N -5.85 2.72 1.23 -0.78 0.00 -1.23 -4.40 121.76 113.46 2dm4 s ALA 10 Ca -0.12 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 2dm4 s ALA 10 Cb 0.30 -3.20 0.28 0.00 0.00 0.00 0.00 23.12 20.50 2dm4 s ALA 10 CO 0.78 -1.00 1.00 -0.35 0.00 0.00 0.00 175.76 176.19 2dm4 n PRO 11 N -2.60 -2.98 -3.78 0.00 -0.04 -1.26 -4.32 135.00 120.02 2dm4 n PRO 11 Ca 0.08 -1.60 -0.09 0.00 -0.04 0.00 0.00 63.50 61.84 2dm4 n PRO 11 Cb 0.53 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2dm4 n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dm4 s ARG 12 N -5.27 0.91 -0.43 0.54 0.52 -1.04 -4.79 118.95 109.39 2dm4 s ARG 12 Ca 0.65 -0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2dm4 s ARG 12 Cb -0.06 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.79 2dm4 s ARG 12 CO 0.50 -0.31 0.36 -1.71 0.02 0.00 0.00 175.30 174.15 2dm4 n ASN 13 N -0.05 -2.20 -4.55 0.23 5.15 -1.26 0.45 115.26 113.02 2dm4 n ASN 13 Ca -0.16 -0.21 -0.38 0.00 -0.60 0.00 0.00 54.58 53.23 2dm4 n ASN 13 Cb 0.63 -2.11 -0.03 0.00 -0.53 0.00 0.00 39.78 37.73 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dm4 s LEU 14 N -3.48 3.27 -0.27 1.20 2.96 -1.26 -4.11 118.68 116.99 2dm4 s LEU 14 Ca 0.03 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2dm4 s LEU 14 Cb -0.01 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.19 2dm4 s LEU 14 CO 0.25 -2.36 -0.06 -1.10 -1.32 0.00 0.00 176.35 171.76 2dm4 s GLN 15 N 6.93 2.51 0.25 1.98 -0.21 -1.05 -4.91 119.66 125.17 2dm4 s GLN 15 Ca 0.65 -1.19 -0.14 0.00 0.02 0.00 0.00 55.36 54.70 2dm4 s GLN 15 Cb -0.12 -3.00 -0.08 0.00 1.00 0.00 0.00 33.01 30.81 2dm4 s GLN 15 CO 0.18 -0.52 0.64 -0.51 -2.12 0.00 0.00 175.29 172.96 2dm4 s LEU 16 N 1.23 4.17 0.35 2.90 2.01 -1.26 -1.57 118.68 126.50 2dm4 s LEU 16 Ca -0.04 1.15 0.05 0.00 0.01 0.00 0.00 54.13 55.30 2dm4 s LEU 16 Cb -0.19 -3.76 -0.02 0.00 0.01 0.00 0.00 46.19 42.23 2dm4 s LEU 16 CO -0.04 -0.09 0.35 -0.44 1.01 0.00 0.00 176.35 177.14 2dm4 s SER 17 N -2.14 1.60 -0.02 2.29 0.01 0.18 -4.97 113.70 110.65 2dm4 s SER 17 Ca 0.48 -1.73 0.01 0.00 1.31 0.00 0.00 55.95 56.03 2dm4 s SER 17 Cb -0.12 0.60 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2dm4 s SER 17 CO 0.19 -1.15 -0.04 -0.76 0.41 0.00 0.00 173.24 171.89 2dm4 s LEU 18 N -3.36 1.58 0.06 2.44 1.43 -1.26 0.47 118.68 120.05 2dm4 s LEU 18 Ca 0.38 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 53.08 2dm4 s LEU 18 Cb 0.01 -0.34 -0.07 0.00 0.03 0.00 0.00 46.19 45.83 2dm4 s LEU 18 CO 0.27 -0.01 1.40 -2.16 0.23 0.00 0.00 176.35 176.08 2dm4 s PRO 19 N 0.49 4.31 0.00 1.29 0.04 -1.26 -4.89 135.00 134.97 2dm4 s PRO 19 Ca -0.06 2.03 0.26 0.00 0.04 0.00 0.00 61.00 63.28 2dm4 s PRO 19 Cb -0.09 -3.40 1.54 0.00 0.04 0.00 0.00 34.50 32.59 2dm4 s PRO 19 CO -0.00 -0.50 1.92 2.89 0.04 0.00 0.00 177.00 181.35 2dm4 n ARG 20 N 4.59 0.78 -0.17 4.56 1.85 -1.26 -2.67 116.66 124.34 2dm4 n ARG 20 Ca 0.12 0.01 0.06 0.00 -1.00 0.00 0.00 57.85 57.04 2dm4 n ARG 20 Cb 0.43 -1.50 0.08 0.00 -1.05 0.00 0.00 32.46 30.42 2dm4 n ARG 20 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2dm4 n GLU 21 N -1.03 1.08 -3.68 2.89 0.28 -1.26 -4.75 120.64 114.17 2dm4 n GLU 21 Ca 0.19 -1.98 -0.10 0.00 -0.16 0.00 0.00 57.16 55.10 2dm4 n GLU 21 Cb 0.10 -1.15 -0.09 0.00 1.43 0.00 0.00 31.44 31.73 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dm4 s ALA 22 N -1.84 -1.36 0.28 -1.84 0.00 -1.09 -5.17 121.76 110.74 2dm4 s ALA 22 Ca 0.19 1.79 0.03 0.00 0.00 0.00 0.00 51.96 53.97 2dm4 s ALA 22 Cb 0.17 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2dm4 s ALA 22 CO 0.02 -0.30 0.43 -1.21 0.00 0.00 0.00 175.76 174.71 2dm4 s GLU 23 N 1.21 3.46 -1.42 0.00 2.02 -1.26 -4.37 118.70 118.34 2dm4 s GLU 23 Ca -0.07 -0.56 -0.09 0.00 0.02 0.00 0.00 54.97 54.26 2dm4 s GLU 23 Cb -0.06 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.42 2dm4 s GLU 23 CO -0.12 0.32 0.65 0.41 0.02 0.00 0.00 175.26 176.55 2dm4 n GLY 24 N -1.47 -0.50 2.96 -1.39 0.00 -1.26 -4.74 105.19 98.78 2dm4 n GLY 24 Ca -0.07 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -3.09 0.50 -0.15 1.61 1.01 -1.26 -0.44 120.40 118.57 2dm4 s VAL 25 Ca 0.44 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2dm4 s VAL 25 Cb -0.22 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.74 2dm4 s VAL 25 CO 0.54 0.16 -0.15 -0.63 0.00 0.00 0.00 175.10 175.02 2dm4 s ILE 26 N 0.04 1.64 -0.55 2.22 1.01 0.80 -4.19 121.20 122.16 2dm4 s ILE 26 Ca -0.00 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 2dm4 s ILE 26 Cb -0.05 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 40.98 2dm4 s ILE 26 CO -0.00 0.47 0.70 -0.69 0.00 0.00 0.00 174.94 175.42 2dm4 s VAL 27 N 1.44 4.78 -0.11 2.92 1.01 0.18 -0.24 120.40 130.37 2dm4 s VAL 27 Ca 0.04 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2dm4 s VAL 27 Cb -0.13 -4.42 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2dm4 s VAL 27 CO -0.11 -1.00 0.44 -0.83 0.00 0.00 0.00 175.10 173.61 2dm4 s GLY 28 N 3.15 2.38 0.42 4.51 0.00 -0.84 0.51 107.32 117.45 2dm4 s GLY 28 Ca 0.15 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.71 2dm4 s GLY 28 CO 0.10 0.65 0.04 0.30 0.00 0.00 0.00 173.10 174.20 2dm4 s HIS 29 N 0.41 2.48 0.05 1.90 3.76 -0.61 -0.94 115.29 122.34 2dm4 s HIS 29 Ca 0.24 -0.68 -0.27 0.00 -0.15 0.00 0.00 55.06 54.20 2dm4 s HIS 29 Cb -0.15 -1.80 0.09 0.00 1.11 0.00 0.00 32.58 31.83 2dm4 s HIS 29 CO 0.10 0.38 1.19 1.67 -0.85 0.00 0.00 174.74 177.22 2dm4 s TRP 30 N -2.70 -0.00 0.30 1.40 -2.14 -0.74 -2.51 118.94 112.54 2dm4 s TRP 30 Ca 0.34 -0.20 0.10 0.00 2.66 0.00 0.00 56.10 59.00 2dm4 s TRP 30 Cb 0.08 0.60 -0.05 0.00 -3.10 0.00 0.00 33.47 31.00 2dm4 s TRP 30 CO 0.18 -0.50 -0.09 0.00 -2.66 0.00 0.00 176.95 173.88 2dm4 s ALA 31 N -2.33 2.98 0.47 2.67 0.00 0.17 -4.77 121.76 120.96 2dm4 s ALA 31 Ca 0.21 -1.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.06 2dm4 s ALA 31 Cb 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.68 2dm4 s ALA 31 CO 0.00 0.19 1.16 -1.25 0.00 0.00 0.00 175.76 175.86 2dm4 s PRO 32 N -3.61 3.69 0.54 0.00 0.04 -1.26 -2.51 135.00 131.88 2dm4 s PRO 32 Ca 0.32 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 2dm4 s PRO 32 Cb -0.03 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2dm4 s PRO 32 CO 0.17 -0.60 1.13 -1.25 0.04 0.00 0.00 177.00 176.49 2dm4 s PRO 33 N -2.80 3.39 0.15 0.56 0.04 -1.26 -4.61 135.00 130.47 2dm4 s PRO 33 Ca 0.65 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 2dm4 s PRO 33 Cb -0.28 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.26 2dm4 s PRO 33 CO 0.33 -0.82 1.69 0.82 0.04 0.00 0.00 177.00 179.06 2dm4 h ILE 34 N 1.26 1.22 -2.50 0.56 2.04 -1.82 -3.45 117.51 114.82 2dm4 h ILE 34 Ca -0.50 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 2dm4 h ILE 34 Cb 1.26 0.74 -0.24 0.00 -0.74 0.00 0.00 36.82 37.84 2dm4 h ILE 34 CO 0.57 0.26 -0.16 -2.28 0.00 0.00 0.00 178.15 176.55 2dm4 s HIS 35 N -5.49 -0.62 0.15 1.37 5.04 -1.26 -5.06 115.29 109.42 2dm4 s HIS 35 Ca -0.13 1.41 0.09 0.00 -1.54 0.00 0.00 55.06 54.89 2dm4 s HIS 35 Cb 0.12 0.25 -0.04 0.00 0.04 0.00 0.00 32.58 32.95 2dm4 s HIS 35 CO 0.78 -0.31 -0.20 0.95 -2.34 0.00 0.00 174.74 173.62 2dm4 s THR 36 N 0.68 1.87 0.29 0.89 -4.23 -1.26 -2.22 115.64 111.66 2dm4 s THR 36 Ca -0.03 -1.80 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2dm4 s THR 36 Cb -0.05 -1.79 0.37 0.00 1.34 0.00 0.00 72.50 72.37 2dm4 s THR 36 CO -0.05 -0.19 1.60 0.45 -0.54 0.00 0.00 174.62 175.89 2dm4 h HIS 37 N 3.54 -0.01 0.00 3.99 3.86 -1.98 -3.45 115.15 121.10 2dm4 h HIS 37 Ca -0.44 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2dm4 h HIS 37 Cb 1.20 0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.82 2dm4 h HIS 37 CO 0.66 -0.36 0.00 0.41 0.86 0.00 0.00 177.93 179.50 2dm4 n GLY 38 N -1.47 4.55 3.69 2.45 0.00 -1.26 -5.09 105.19 108.05 2dm4 n GLY 38 Ca 0.21 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2dm4 n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm4 s LEU 39 N 0.00 4.22 -0.38 0.99 2.96 -1.26 -4.97 118.68 120.23 2dm4 s LEU 39 Ca 0.00 1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 54.69 2dm4 s LEU 39 Cb 0.00 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.64 2dm4 s LEU 39 CO 0.00 -0.24 1.51 -0.63 -1.32 0.00 0.00 176.35 175.67 2dm4 s ILE 40 N 1.51 3.79 -0.06 6.68 1.01 -1.26 -3.69 121.20 129.17 2dm4 s ILE 40 Ca 0.35 0.81 -0.26 0.00 0.00 0.00 0.00 60.65 61.54 2dm4 s ILE 40 Cb -0.17 -4.05 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 2dm4 s ILE 40 CO 0.14 -0.66 1.06 0.03 0.00 0.00 0.00 174.94 175.52 2dm4 h ARG 41 N 11.23 -0.02 -2.72 2.79 3.08 -1.86 -3.49 114.38 123.39 2dm4 h ARG 41 Ca -0.29 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.85 2dm4 h ARG 41 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 2dm4 h ARG 41 CO 1.07 0.63 0.42 -1.83 -1.07 0.00 0.00 179.97 179.19 2dm4 s GLU 42 N -3.50 1.67 -0.15 0.04 1.03 -1.26 -5.06 118.70 111.48 2dm4 s GLU 42 Ca -0.17 -1.04 0.01 0.00 0.03 0.00 0.00 54.97 53.81 2dm4 s GLU 42 Cb -0.00 0.49 0.02 0.00 -0.80 0.00 0.00 34.13 33.84 2dm4 s GLU 42 CO 0.66 -0.78 -0.16 0.71 -1.33 0.00 0.00 175.26 174.36 2dm4 s TYR 43 N -2.61 2.31 0.44 4.83 2.02 -1.18 -1.69 117.35 121.48 2dm4 s TYR 43 Ca 0.17 -1.26 -0.08 0.00 -0.37 0.00 0.00 57.07 55.52 2dm4 s TYR 43 Cb -0.04 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 2dm4 s TYR 43 CO 0.07 -0.65 0.78 -1.50 -1.57 0.00 0.00 175.55 172.68 2dm4 s ILE 44 N 1.27 4.84 -0.15 2.71 2.07 -0.75 -0.56 121.20 130.63 2dm4 s ILE 44 Ca 0.01 0.43 -0.03 0.00 -1.41 0.00 0.00 60.65 59.65 2dm4 s ILE 44 Cb -0.14 -3.79 0.05 0.00 0.13 0.00 0.00 42.46 38.71 2dm4 s ILE 44 CO -0.08 -0.68 0.05 0.68 -1.91 0.00 0.00 174.94 173.00 2dm4 s VAL 45 N -2.55 0.20 0.06 4.00 -7.23 0.27 -2.02 120.40 113.13 2dm4 s VAL 45 Ca 0.49 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 2dm4 s VAL 45 Cb -0.10 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.11 2dm4 s VAL 45 CO 0.38 -0.12 0.17 -1.61 -0.31 0.00 0.00 175.10 173.60 2dm4 s GLU 46 N 2.01 3.27 -0.08 4.82 0.41 -0.11 -2.30 118.70 126.72 2dm4 s GLU 46 Ca 0.02 -0.50 -0.20 0.00 -0.41 0.00 0.00 54.97 53.87 2dm4 s GLU 46 Cb -0.15 -2.95 0.04 0.00 -1.78 0.00 0.00 34.13 29.29 2dm4 s GLU 46 CO -0.07 0.60 0.47 1.52 -0.49 0.00 0.00 175.26 177.29 2dm4 s TYR 47 N -1.45 -0.43 -0.28 1.61 1.13 -0.80 -1.30 117.35 115.83 2dm4 s TYR 47 Ca 0.32 0.85 -0.14 0.00 -1.41 0.00 0.00 57.07 56.70 2dm4 s TYR 47 Cb -0.13 0.21 0.09 0.00 -1.10 0.00 0.00 41.96 41.03 2dm4 s TYR 47 CO 0.25 -0.40 0.67 0.45 -2.51 0.00 0.00 175.55 174.01 2dm4 s SER 48 N -0.74 -0.96 0.44 -0.18 0.15 -1.04 -1.81 113.70 109.55 2dm4 s SER 48 Ca -0.08 1.50 -0.23 0.00 0.70 0.00 0.00 55.95 57.84 2dm4 s SER 48 Cb -0.03 1.55 -0.10 0.00 -1.71 0.00 0.00 66.02 65.73 2dm4 s SER 48 CO 0.04 -0.23 0.92 -1.14 1.20 0.00 0.00 173.24 174.03 2dm4 n ARG 49 N 4.57 1.15 -0.28 5.44 0.63 -1.26 -2.19 116.66 124.71 2dm4 n ARG 49 Ca -0.18 0.42 -0.07 0.00 -0.92 0.00 0.00 57.85 57.09 2dm4 n ARG 49 Cb 0.57 -1.96 -0.07 0.00 0.45 0.00 0.00 32.46 31.45 2dm4 n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dm4 n SER 50 N 0.50 -0.71 -4.31 6.15 2.88 -0.76 -2.91 113.62 114.46 2dm4 n SER 50 Ca 0.10 1.24 -0.46 0.00 -1.33 0.00 0.00 58.87 58.43 2dm4 n SER 50 Cb 0.40 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 2dm4 n SER 50 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm4 s GLY 51 N -2.52 2.47 -0.25 0.46 0.00 -1.26 -4.98 107.32 101.23 2dm4 s GLY 51 Ca -0.08 -3.07 -0.28 0.00 0.00 0.00 0.00 44.72 41.29 2dm4 s GLY 51 CO 0.41 1.23 1.22 -1.35 0.00 0.00 0.00 173.10 174.61 2dm4 s SER 52 N 2.51 -0.21 -0.50 1.64 1.04 -1.15 -5.05 113.70 111.98 2dm4 s SER 52 Ca 0.13 0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.90 2dm4 s SER 52 Cb -0.17 0.29 0.47 0.00 0.10 0.00 0.00 66.02 66.70 2dm4 s SER 52 CO -0.05 -0.14 1.70 0.29 0.98 0.00 0.00 173.24 176.02 2dm4 n LYS 53 N 1.16 2.94 -3.62 4.02 5.02 -1.26 -4.87 118.16 121.55 2dm4 n LYS 53 Ca -0.08 -3.58 -0.17 0.00 -2.02 0.00 0.00 58.31 52.46 2dm4 n LYS 53 Cb 0.58 -2.25 -0.15 0.00 -0.02 0.00 0.00 35.03 33.19 2dm4 n LYS 53 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dm4 s MET 54 N -3.69 0.09 -0.15 1.97 -1.94 -1.26 -5.14 119.30 109.19 2dm4 s MET 54 Ca 0.58 0.46 -0.02 0.00 -1.71 0.00 0.00 55.69 55.00 2dm4 s MET 54 Cb 0.47 -0.57 -0.02 0.00 2.01 0.00 0.00 34.83 36.71 2dm4 s MET 54 CO 0.01 -0.42 -0.07 -1.58 -0.01 0.00 0.00 175.02 172.96 2dm4 s TRP 55 N 2.31 2.96 -0.20 -0.03 0.52 -1.26 -4.62 118.94 118.61 2dm4 s TRP 55 Ca 0.04 -0.40 -0.08 0.00 0.02 0.00 0.00 56.10 55.68 2dm4 s TRP 55 Cb -0.13 -1.92 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2dm4 s TRP 55 CO -0.08 -0.08 0.08 0.00 0.02 0.00 0.00 176.95 176.89 2dm4 s ALA 56 N 0.33 3.41 0.08 0.98 0.00 -0.75 -4.90 121.76 120.91 2dm4 s ALA 56 Ca -0.06 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.14 2dm4 s ALA 56 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 2dm4 s ALA 56 CO 0.04 0.02 -0.14 -1.54 0.00 0.00 0.00 175.76 174.14 2dm4 s SER 57 N 0.66 4.15 -0.01 0.00 1.04 -1.26 -1.90 113.70 116.39 2dm4 s SER 57 Ca 0.04 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 2dm4 s SER 57 Cb -0.13 -0.74 0.03 0.00 0.10 0.00 0.00 66.02 65.28 2dm4 s SER 57 CO 0.02 0.21 0.34 0.00 0.98 0.00 0.00 173.24 174.79 2dm4 s GLN 58 N -1.89 0.72 0.32 4.02 -2.07 -0.97 -4.94 119.66 114.85 2dm4 s GLN 58 Ca 0.18 -0.20 -0.22 0.00 -1.82 0.00 0.00 55.36 53.30 2dm4 s GLN 58 Cb -0.11 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.04 2dm4 s GLN 58 CO 0.10 -0.21 0.86 1.03 -1.32 0.00 0.00 175.29 175.75 2dm4 s ARG 59 N -1.51 4.35 -0.07 9.60 3.00 -1.26 -0.57 118.95 132.49 2dm4 s ARG 59 Ca -0.12 1.08 -0.00 0.00 0.00 0.00 0.00 55.73 56.69 2dm4 s ARG 59 Cb -0.04 -2.65 0.02 0.00 0.00 0.00 0.00 34.95 32.28 2dm4 s ARG 59 CO 0.04 0.23 -0.04 0.00 0.00 0.00 0.00 175.30 175.53 2dm4 s ALA 60 N -1.75 0.89 0.02 2.13 0.00 0.28 -4.93 121.76 118.41 2dm4 s ALA 60 Ca 0.51 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.99 2dm4 s ALA 60 Cb -0.15 -0.67 -0.18 0.00 0.00 0.00 0.00 23.12 22.12 2dm4 s ALA 60 CO 0.20 -0.26 1.42 0.00 0.00 0.00 0.00 175.76 177.12 2dm4 h ALA 61 N 7.82 -0.10 -4.16 0.00 0.00 -1.85 -3.11 119.26 117.86 2dm4 h ALA 61 Ca -0.29 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.22 2dm4 h ALA 61 Cb 1.14 0.04 0.07 0.00 0.00 0.00 0.00 17.79 19.04 2dm4 h ALA 61 CO 0.38 -0.41 0.13 0.43 0.00 0.00 0.00 179.25 179.78 2dm4 n SER 62 N -5.00 0.45 -1.71 0.00 7.64 -1.26 -4.84 113.62 108.89 2dm4 n SER 62 Ca -0.08 -1.47 -0.11 0.00 1.01 0.00 0.00 58.87 58.22 2dm4 n SER 62 Cb 0.18 -0.44 0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -3.17 5.59 -3.72 6.43 4.13 -1.26 -4.84 115.26 118.43 2dm4 n ASN 63 Ca 0.09 -2.82 -0.04 0.00 1.68 0.00 0.00 54.58 53.50 2dm4 n ASN 63 Cb 0.32 -0.99 -0.01 0.00 -1.54 0.00 0.00 39.78 37.56 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N -1.27 -0.15 0.29 3.10 -0.71 -1.26 -1.80 117.98 116.18 2dm4 s PHE 64 Ca 0.22 -0.12 -0.13 0.00 -1.04 0.00 0.00 56.93 55.85 2dm4 s PHE 64 Cb 0.17 0.62 0.01 0.00 -1.21 0.00 0.00 43.02 42.62 2dm4 s PHE 64 CO 0.00 -0.76 0.58 -0.08 -1.34 0.00 0.00 175.22 173.62 2dm4 s THR 65 N -3.22 0.00 -0.31 -4.49 -1.32 -0.12 -4.72 115.64 101.46 2dm4 s THR 65 Ca 0.11 -1.29 -0.00 0.00 -1.21 0.00 0.00 61.69 59.31 2dm4 s THR 65 Cb -0.01 -2.34 0.10 0.00 -1.51 0.00 0.00 72.50 68.74 2dm4 s THR 65 CO 0.01 0.00 0.09 -1.61 -2.21 0.00 0.00 174.62 170.90 2dm4 s GLU 66 N -3.56 0.80 -0.72 7.08 2.02 -1.26 -1.98 118.70 121.08 2dm4 s GLU 66 Ca 0.20 -1.17 -0.25 0.00 0.02 0.00 0.00 54.97 53.77 2dm4 s GLU 66 Cb -0.02 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.13 2dm4 s GLU 66 CO 0.11 -0.98 1.16 0.42 0.02 0.00 0.00 175.26 175.99 2dm4 s ILE 67 N 1.53 3.96 0.55 -1.63 1.01 0.66 -4.88 121.20 122.41 2dm4 s ILE 67 Ca 0.10 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2dm4 s ILE 67 Cb -0.17 -4.83 0.10 0.00 0.01 0.00 0.00 42.46 37.57 2dm4 s ILE 67 CO -0.23 -1.71 0.75 0.29 0.00 0.00 0.00 174.94 174.05 2dm4 n LYS 68 N 8.71 0.29 -3.24 2.79 5.02 -1.26 -0.14 118.16 130.32 2dm4 n LYS 68 Ca 0.01 -2.37 -0.15 0.00 -2.02 0.00 0.00 58.31 53.79 2dm4 n LYS 68 Cb 0.48 -0.40 0.08 0.00 -0.02 0.00 0.00 35.03 35.16 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.73 -2.09 -4.55 4.39 3.02 -1.04 -4.92 115.26 107.34 2dm4 n ASN 69 Ca 0.14 -0.53 -0.26 0.00 -0.03 0.00 0.00 54.58 53.89 2dm4 n ASN 69 Cb 0.49 -4.49 -0.11 0.00 -0.61 0.00 0.00 39.78 35.06 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -5.77 2.73 -0.18 3.41 1.43 0.41 -5.05 118.68 115.67 2dm4 s LEU 70 Ca 0.01 -1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 51.65 2dm4 s LEU 70 Cb -0.00 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2dm4 s LEU 70 CO 0.63 -0.32 0.56 -0.76 0.23 0.00 0.00 176.35 176.69 2dm4 s LEU 71 N -3.62 4.17 0.87 1.79 1.43 -1.26 -4.38 118.68 117.68 2dm4 s LEU 71 Ca 0.33 0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 2dm4 s LEU 71 Cb 0.05 -2.79 0.10 0.00 0.03 0.00 0.00 46.19 43.59 2dm4 s LEU 71 CO 0.16 -0.19 1.08 1.33 0.23 0.00 0.00 176.35 178.97 2dm4 n VAL 72 N 4.45 0.93 -4.23 -1.59 0.24 -1.26 -2.82 118.33 114.06 2dm4 n VAL 72 Ca -0.04 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.78 2dm4 n VAL 72 Cb 0.50 -1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 31.81 2dm4 n VAL 72 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dm4 n ASN 73 N -3.43 -3.35 -4.08 -1.34 0.23 -1.12 -4.87 115.26 97.30 2dm4 n ASN 73 Ca 0.12 -1.01 -0.21 0.00 -0.53 0.00 0.00 54.58 52.95 2dm4 n ASN 73 Cb 0.51 -2.77 -0.15 0.00 -2.08 0.00 0.00 39.78 35.30 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2dm4 s THR 74 N -3.28 1.00 0.23 5.53 2.01 -1.13 -4.82 115.64 115.18 2dm4 s THR 74 Ca 0.75 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 2dm4 s THR 74 Cb -0.41 -0.84 -0.09 0.00 0.01 0.00 0.00 72.50 71.17 2dm4 s THR 74 CO 0.93 0.29 1.01 -0.22 -0.69 0.00 0.00 174.62 175.93 2dm4 s LEU 75 N -0.26 4.58 -0.02 4.42 1.98 -1.26 -1.59 118.68 126.53 2dm4 s LEU 75 Ca 0.04 2.05 0.00 0.00 -2.89 0.00 0.00 54.13 53.33 2dm4 s LEU 75 Cb -0.05 -3.61 0.03 0.00 0.66 0.00 0.00 46.19 43.21 2dm4 s LEU 75 CO -0.00 -0.00 0.02 -0.31 -1.89 0.00 0.00 176.35 174.17 2dm4 s TYR 76 N -0.93 0.09 -0.39 5.38 2.02 -0.66 -1.83 117.35 121.04 2dm4 s TYR 76 Ca 0.44 0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 57.05 2dm4 s TYR 76 Cb -0.28 -0.28 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 2dm4 s TYR 76 CO 0.35 -0.10 0.56 0.99 -1.57 0.00 0.00 175.55 175.78 2dm4 s THR 77 N 1.09 4.95 0.12 -0.71 2.01 -0.93 -1.57 115.64 120.59 2dm4 s THR 77 Ca -0.09 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.16 2dm4 s THR 77 Cb -0.13 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2dm4 s THR 77 CO -0.03 -0.37 0.20 -0.69 -0.69 0.00 0.00 174.62 173.04 2dm4 s VAL 78 N 2.53 5.00 -0.26 3.82 1.01 0.52 -2.50 120.40 130.52 2dm4 s VAL 78 Ca 0.20 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 2dm4 s VAL 78 Cb -0.15 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.79 2dm4 s VAL 78 CO 0.15 -0.01 0.65 0.00 0.00 0.00 0.00 175.10 175.89 2dm4 s ARG 79 N -2.90 0.66 0.01 2.72 1.70 -0.42 -1.31 118.95 119.41 2dm4 s ARG 79 Ca 0.33 1.18 0.01 0.00 -0.47 0.00 0.00 55.73 56.77 2dm4 s ARG 79 Cb -0.11 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 2dm4 s ARG 79 CO 0.26 -0.15 0.05 0.08 -1.08 0.00 0.00 175.30 174.46 2dm4 s VAL 80 N 1.67 4.51 -0.03 4.99 1.01 -1.26 -0.93 120.40 130.36 2dm4 s VAL 80 Ca -0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2dm4 s VAL 80 Cb -0.06 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2dm4 s VAL 80 CO -0.19 0.31 -0.02 0.00 0.00 0.00 0.00 175.10 175.21 2dm4 s ALA 81 N -1.20 0.38 -0.09 5.51 0.00 -0.86 -1.03 121.76 124.47 2dm4 s ALA 81 Ca 0.23 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.95 2dm4 s ALA 81 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 2dm4 s ALA 81 CO 0.14 -0.02 1.00 0.00 0.00 0.00 0.00 175.76 176.88 2dm4 s ALA 82 N 0.74 3.37 0.11 0.00 0.00 -1.26 -1.81 121.76 122.91 2dm4 s ALA 82 Ca -0.08 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 2dm4 s ALA 82 Cb -0.11 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 2dm4 s ALA 82 CO -0.01 -0.55 0.38 0.08 0.00 0.00 0.00 175.76 175.66 2dm4 s VAL 83 N 1.88 5.14 0.35 0.00 1.01 -0.68 -2.42 120.40 125.68 2dm4 s VAL 83 Ca 0.48 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.73 2dm4 s VAL 83 Cb -0.19 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2dm4 s VAL 83 CO 0.19 0.17 0.11 0.42 0.00 0.00 0.00 175.10 175.99 2dm4 s THR 84 N -1.52 0.74 0.52 3.92 -4.23 -0.83 -2.99 115.64 111.25 2dm4 s THR 84 Ca 0.37 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.21 2dm4 s THR 84 Cb -0.13 -2.54 0.52 0.00 1.34 0.00 0.00 72.50 71.70 2dm4 s THR 84 CO 0.21 0.00 1.81 0.77 -0.54 0.00 0.00 174.62 176.87 2dm4 h SER 85 N 2.01 0.06 0.01 3.99 4.64 -1.94 -1.34 113.55 120.97 2dm4 h SER 85 Ca -0.37 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2dm4 h SER 85 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dm4 h SER 85 CO 0.60 0.01 -0.00 -0.09 -0.87 0.00 0.00 176.83 176.48 2dm4 h ARG 86 N 0.05 -0.01 0.00 4.77 2.43 -1.95 -3.51 114.38 116.17 2dm4 h ARG 86 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 2dm4 h ARG 86 Cb 2.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2dm4 h ARG 86 CO -0.05 0.53 0.00 0.41 -1.51 0.00 0.00 179.97 179.35 2dm4 n GLY 87 N 1.64 -1.46 3.76 2.80 0.00 -0.51 -5.13 105.19 106.28 2dm4 n GLY 87 Ca -0.06 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -2.86 2.38 0.00 -0.61 1.01 -1.26 -1.96 121.20 117.89 2dm4 s ILE 88 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2dm4 s ILE 88 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 2dm4 s ILE 88 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2dm4 n GLY 89 N 1.43 2.48 3.10 6.18 0.00 -1.02 -4.95 105.19 112.42 2dm4 n GLY 89 Ca 0.04 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 2dm4 n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dm4 n ASN 90 N -2.45 -4.04 -4.73 1.61 3.02 -1.26 -4.72 115.26 102.69 2dm4 n ASN 90 Ca 0.00 0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.31 2dm4 n ASN 90 Cb 0.00 -0.78 -0.09 0.00 -0.61 0.00 0.00 39.78 38.31 2dm4 n ASN 90 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2dm4 s TRP 91 N -2.09 3.30 0.89 3.10 0.52 -1.26 -4.37 118.94 119.04 2dm4 s TRP 91 Ca 0.43 0.27 -0.11 0.00 0.02 0.00 0.00 56.10 56.71 2dm4 s TRP 91 Cb -0.09 -1.88 0.13 0.00 -1.15 0.00 0.00 33.47 30.48 2dm4 s TRP 91 CO 0.73 0.49 1.10 -1.54 0.02 0.00 0.00 176.95 177.75 2dm4 s SER 92 N -0.71 3.39 -0.81 2.95 1.04 -0.20 -4.78 113.70 114.58 2dm4 s SER 92 Ca 0.12 1.75 -0.24 0.00 0.48 0.00 0.00 55.95 58.06 2dm4 s SER 92 Cb -0.12 -2.38 -0.19 0.00 0.10 0.00 0.00 66.02 63.44 2dm4 s SER 92 CO 0.02 -2.73 2.45 0.47 0.98 0.00 0.00 173.24 174.44 2dm4 n ASP 93 N -3.97 0.81 -4.67 7.02 8.00 -1.26 -4.65 116.55 117.83 2dm4 n ASP 93 Ca 0.08 -0.50 -0.48 0.00 0.71 0.00 0.00 54.79 54.61 2dm4 n ASP 93 Cb 0.54 -1.18 -0.05 0.00 -0.02 0.00 0.00 41.12 40.41 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2dm4 n SER 94 N 12.67 3.19 -4.71 -2.24 3.41 -1.26 -4.87 113.62 119.81 2dm4 n SER 94 Ca 0.54 1.03 -0.24 0.00 -0.26 0.00 0.00 58.87 59.95 2dm4 n SER 94 Cb 0.28 -1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 62.78 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dm4 s LYS 95 N 2.59 2.29 -0.03 4.33 -0.14 -0.43 -4.94 119.74 123.41 2dm4 s LYS 95 Ca 0.87 -1.63 0.05 0.00 -1.36 0.00 0.00 55.97 53.90 2dm4 s LYS 95 Cb -0.71 -2.10 -0.01 0.00 -1.68 0.00 0.00 37.83 33.33 2dm4 s LYS 95 CO 0.46 0.08 -0.19 -1.12 -0.76 0.00 0.00 175.35 173.82 2dm4 s SER 96 N -3.83 2.31 -0.02 2.83 0.01 -1.26 -0.35 113.70 113.39 2dm4 s SER 96 Ca 0.38 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dm4 s SER 96 Cb -0.01 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.81 2dm4 s SER 96 CO 0.22 0.21 0.03 -0.51 0.41 0.00 0.00 173.24 173.60 2dm4 s ILE 97 N -0.26 -0.04 -0.12 1.44 2.07 -0.61 -4.95 121.20 118.74 2dm4 s ILE 97 Ca 0.03 0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 59.22 2dm4 s ILE 97 Cb -0.09 -0.07 -0.04 0.00 0.13 0.00 0.00 42.46 42.39 2dm4 s ILE 97 CO 0.01 0.06 0.52 -0.89 -1.91 0.00 0.00 174.94 172.73 2dm4 s THR 98 N 0.71 5.15 1.05 4.00 2.01 -1.26 -1.65 115.64 125.65 2dm4 s THR 98 Ca -0.06 1.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.82 2dm4 s THR 98 Cb -0.08 -3.86 0.23 0.00 0.01 0.00 0.00 72.50 68.79 2dm4 s THR 98 CO -0.02 0.30 1.22 0.42 -0.69 0.00 0.00 174.62 175.85 2dm4 s THR 99 N 0.76 1.84 0.09 -0.82 -4.23 -0.62 -4.87 115.64 107.80 2dm4 s THR 99 Ca 0.28 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.81 2dm4 s THR 99 Cb -0.16 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 2dm4 s THR 99 CO 0.12 0.00 -0.08 0.27 -0.54 0.00 0.00 174.62 174.39 2dm4 s ILE 100 N -3.50 0.76 -1.32 2.99 -4.36 -1.26 -2.80 121.20 111.71 2dm4 s ILE 100 Ca 0.72 -1.78 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 2dm4 s ILE 100 Cb -0.07 -1.50 0.14 0.00 1.25 0.00 0.00 42.46 42.28 2dm4 s ILE 100 CO 0.54 -0.74 2.01 1.17 0.24 0.00 0.00 174.94 178.16 2dm4 n LYS 101 N 0.25 3.62 -0.40 0.37 3.00 -1.26 -4.24 118.16 119.49 2dm4 n LYS 101 Ca -0.14 -3.35 0.05 0.00 -0.00 0.00 0.00 58.31 54.88 2dm4 n LYS 101 Cb 0.59 -2.94 -0.01 0.00 0.00 0.00 0.00 35.03 32.67 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dm4 n GLY 102 N 2.88 -2.11 3.99 3.14 0.00 -1.26 -4.95 105.19 106.89 2dm4 n GLY 102 Ca 0.45 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 103 N -3.66 5.75 0.00 1.61 1.04 -1.26 -5.09 113.70 112.09 2dm4 s SER 103 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2dm4 s SER 103 Cb 0.00 -1.02 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dm4 s SER 103 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 2dm4 n GLY 104 N -1.87 0.78 3.67 7.32 0.00 -1.26 -5.06 105.19 108.77 2dm4 n GLY 104 Ca 0.04 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2dm4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm4 s PRO 105 N 0.28 4.22 0.09 1.61 0.04 -1.26 -5.00 135.00 134.98 2dm4 s PRO 105 Ca 0.00 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.98 2dm4 s PRO 105 Cb 0.00 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 2dm4 s PRO 105 CO 0.00 -0.72 0.17 0.45 0.04 0.00 0.00 177.00 176.94 2dm4 s SER 106 N 2.53 0.16 0.04 6.66 0.15 -1.26 -5.08 113.70 116.89 2dm4 s SER 106 Ca 0.66 -0.69 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 2dm4 s SER 106 Cb -0.31 0.33 -0.15 0.00 -1.71 0.00 0.00 66.02 64.18 2dm4 s SER 106 CO 0.26 -0.72 1.32 -1.28 1.20 0.00 0.00 173.24 174.01 2dm4 h SER 107 N 2.78 -0.85 0.00 5.45 0.87 -2.07 -3.57 113.55 116.17 2dm4 h SER 107 Ca -0.34 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2dm4 h SER 107 Cb 1.19 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2dm4 h SER 107 CO 0.57 -0.57 0.00 0.61 -0.53 0.00 0.00 176.83 176.91