#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 1.89 0.48 1.61 0.01 -1.26 -5.14 113.70 111.29 2dm4 s SER 2 Ca 0.00 -0.59 -0.20 0.00 1.31 0.00 0.00 55.95 56.47 2dm4 s SER 2 Cb 0.00 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.06 2dm4 s SER 2 CO 0.00 -0.02 1.01 -0.44 0.41 0.00 0.00 173.24 174.20 2dm4 s SER 3 N -1.63 6.50 0.00 2.44 0.01 -1.26 -4.41 113.70 115.36 2dm4 s SER 3 Ca 0.01 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.07 2dm4 s SER 3 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2dm4 s SER 3 CO 0.02 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2dm4 n GLY 4 N -0.60 2.35 3.58 3.44 0.00 -1.26 -5.03 105.19 107.66 2dm4 n GLY 4 Ca 0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 2dm4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm4 s SER 5 N -1.85 5.11 0.06 1.61 0.15 -1.26 -4.90 113.70 112.62 2dm4 s SER 5 Ca 0.00 1.57 -0.31 0.00 0.70 0.00 0.00 55.95 57.91 2dm4 s SER 5 Cb 0.00 -2.51 -0.08 0.00 -1.71 0.00 0.00 66.02 61.72 2dm4 s SER 5 CO 0.00 -2.28 1.62 -0.55 1.20 0.00 0.00 173.24 173.24 2dm4 s SER 6 N 9.56 6.63 0.54 5.45 0.15 -1.26 -5.00 113.70 129.76 2dm4 s SER 6 Ca 0.98 2.45 0.07 0.00 0.70 0.00 0.00 55.95 60.15 2dm4 s SER 6 Cb -0.27 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.53 2dm4 s SER 6 CO 0.32 -0.87 0.51 -0.83 1.20 0.00 0.00 173.24 173.57 2dm4 s GLY 7 N 2.33 2.17 0.51 9.45 0.00 -1.26 -5.02 107.32 115.50 2dm4 s GLY 7 Ca 0.73 -1.58 0.30 0.00 0.00 0.00 0.00 44.72 44.17 2dm4 s GLY 7 CO 0.32 -1.84 1.95 -0.56 0.00 0.00 0.00 173.10 172.96 2dm4 h PRO 8 N 0.62 0.00 -0.94 2.90 0.13 -1.95 -3.22 132.00 129.53 2dm4 h PRO 8 Ca -0.35 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.06 2dm4 h PRO 8 Cb 1.29 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.26 2dm4 h PRO 8 CO 0.52 0.10 0.20 -0.44 -0.23 0.00 0.00 178.00 178.16 2dm4 h ASP 9 N 0.00 -0.14 -4.15 1.44 3.32 -1.87 -3.25 116.42 111.78 2dm4 h ASP 9 Ca -0.00 0.24 -0.49 0.00 0.02 0.00 0.00 57.03 56.80 2dm4 h ASP 9 Cb 0.57 0.35 0.05 0.00 0.22 0.00 0.00 39.33 40.52 2dm4 h ASP 9 CO 0.01 -0.28 0.39 0.00 -1.72 0.00 0.00 179.24 177.64 2dm4 s ALA 10 N -5.89 2.77 1.23 3.45 0.00 -1.22 -4.31 121.76 117.79 2dm4 s ALA 10 Ca -0.12 0.51 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 2dm4 s ALA 10 Cb 0.28 -3.25 0.27 0.00 0.00 0.00 0.00 23.12 20.43 2dm4 s ALA 10 CO 0.78 -0.66 0.98 -0.35 0.00 0.00 0.00 175.76 176.51 2dm4 n PRO 11 N -1.63 -2.94 -3.71 0.00 -0.04 -1.26 -4.44 135.00 120.98 2dm4 n PRO 11 Ca 0.09 -1.57 -0.14 0.00 -0.04 0.00 0.00 63.50 61.85 2dm4 n PRO 11 Cb 0.53 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 2dm4 n PRO 11 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dm4 n ARG 12 N -4.50 0.54 -3.68 0.54 1.74 -1.09 -4.71 116.66 105.50 2dm4 n ARG 12 Ca 0.14 -2.53 -0.24 0.00 -0.77 0.00 0.00 57.85 54.45 2dm4 n ARG 12 Cb 0.53 2.33 0.03 0.00 -1.02 0.00 0.00 32.46 34.33 2dm4 n ARG 12 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2dm4 n ASN 13 N -1.74 -2.67 -4.57 0.55 4.13 -1.26 0.72 115.26 110.41 2dm4 n ASN 13 Ca 0.02 -0.88 -0.42 0.00 1.68 0.00 0.00 54.58 54.98 2dm4 n ASN 13 Cb 0.51 -3.88 -0.03 0.00 -1.54 0.00 0.00 39.78 34.84 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2dm4 s LEU 14 N -6.52 3.36 -0.25 3.41 2.96 -1.26 -3.95 118.68 116.43 2dm4 s LEU 14 Ca 0.17 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 2dm4 s LEU 14 Cb -0.05 -2.96 0.06 0.00 0.50 0.00 0.00 46.19 43.74 2dm4 s LEU 14 CO 0.83 -1.67 -0.10 -1.10 -1.32 0.00 0.00 176.35 172.98 2dm4 s GLN 15 N 5.39 2.16 -0.04 1.98 -0.21 -0.15 -4.93 119.66 123.86 2dm4 s GLN 15 Ca 0.44 -1.24 -0.22 0.00 0.02 0.00 0.00 55.36 54.36 2dm4 s GLN 15 Cb -0.09 -2.80 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 2dm4 s GLN 15 CO 0.22 -0.55 0.64 -0.51 -2.12 0.00 0.00 175.29 172.97 2dm4 s LEU 16 N 1.17 4.35 0.00 2.90 2.01 -1.26 -1.82 118.68 126.04 2dm4 s LEU 16 Ca -0.07 1.14 0.03 0.00 0.01 0.00 0.00 54.13 55.24 2dm4 s LEU 16 Cb -0.19 -2.98 -0.01 0.00 0.01 0.00 0.00 46.19 43.01 2dm4 s LEU 16 CO -0.06 -0.02 0.11 -1.20 1.01 0.00 0.00 176.35 176.20 2dm4 n SER 17 N 3.34 1.80 -3.93 2.29 7.64 0.76 -4.95 113.62 120.58 2dm4 n SER 17 Ca -0.04 -3.29 -0.17 0.00 1.01 0.00 0.00 58.87 56.38 2dm4 n SER 17 Cb 0.51 0.90 -0.15 0.00 -1.01 0.00 0.00 64.21 64.47 2dm4 n SER 17 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dm4 s LEU 18 N 0.00 1.72 0.09 -3.43 1.43 -1.26 0.56 118.68 117.80 2dm4 s LEU 18 Ca 0.16 -0.10 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 2dm4 s LEU 18 Cb 0.01 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.84 2dm4 s LEU 18 CO 0.11 0.01 1.38 -2.16 0.23 0.00 0.00 176.35 175.93 2dm4 s PRO 19 N 0.29 4.32 0.00 1.29 0.04 -1.26 -4.89 135.00 134.79 2dm4 s PRO 19 Ca -0.03 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.28 2dm4 s PRO 19 Cb -0.07 -3.30 1.38 0.00 0.04 0.00 0.00 34.50 32.55 2dm4 s PRO 19 CO -0.00 -0.44 1.78 2.89 0.04 0.00 0.00 177.00 181.27 2dm4 n ARG 20 N 4.16 0.68 -0.11 4.56 1.85 -1.26 -2.46 116.66 124.07 2dm4 n ARG 20 Ca 0.12 0.01 0.04 0.00 -1.00 0.00 0.00 57.85 57.02 2dm4 n ARG 20 Cb 0.43 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.40 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -1.05 1.44 -3.69 2.89 1.02 -1.26 -5.01 120.64 114.99 2dm4 n GLU 21 Ca 0.17 -1.78 -0.14 0.00 -0.02 0.00 0.00 57.16 55.39 2dm4 n GLU 21 Cb 0.10 -1.08 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -1.55 -1.30 0.50 0.62 0.00 -1.03 -5.18 121.76 113.83 2dm4 s ALA 22 Ca 0.14 1.44 0.07 0.00 0.00 0.00 0.00 51.96 53.61 2dm4 s ALA 22 Cb 0.12 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.47 2dm4 s ALA 22 CO 0.01 -0.25 0.49 -1.83 0.00 0.00 0.00 175.76 174.18 2dm4 s GLU 23 N 0.17 2.38 -0.40 0.00 4.04 -1.26 -4.27 118.70 119.37 2dm4 s GLU 23 Ca -0.01 -1.74 0.00 0.00 0.04 0.00 0.00 54.97 53.26 2dm4 s GLU 23 Cb -0.04 -2.35 0.00 0.00 0.02 0.00 0.00 34.13 31.77 2dm4 s GLU 23 CO 0.01 -0.52 0.00 0.41 -1.84 0.00 0.00 175.26 173.32 2dm4 n GLY 24 N -1.81 0.10 3.18 -3.83 0.00 -1.26 -4.81 105.19 96.76 2dm4 n GLY 24 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.61 1.57 -0.16 1.61 1.01 -1.26 -0.99 120.40 120.57 2dm4 s VAL 25 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2dm4 s VAL 25 Cb 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 35.07 2dm4 s VAL 25 CO 0.00 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.76 2dm4 s ILE 26 N -0.16 1.69 -0.63 2.22 1.01 0.00 -4.25 121.20 121.10 2dm4 s ILE 26 Ca -0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 2dm4 s ILE 26 Cb -0.11 -1.57 0.09 0.00 0.01 0.00 0.00 42.46 40.88 2dm4 s ILE 26 CO 0.01 0.48 0.83 -0.69 0.00 0.00 0.00 174.94 175.57 2dm4 s VAL 27 N 1.43 4.58 -0.02 2.92 1.01 0.19 -0.47 120.40 130.05 2dm4 s VAL 27 Ca 0.05 -0.70 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 2dm4 s VAL 27 Cb -0.13 -4.59 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 2dm4 s VAL 27 CO -0.11 -1.29 0.66 -0.83 0.00 0.00 0.00 175.10 173.53 2dm4 s GLY 28 N 3.66 2.65 0.11 4.51 0.00 -1.07 -0.17 107.32 117.01 2dm4 s GLY 28 Ca 0.17 0.11 0.08 0.00 0.00 0.00 0.00 44.72 45.07 2dm4 s GLY 28 CO 0.08 0.97 -0.19 0.30 0.00 0.00 0.00 173.10 174.26 2dm4 s HIS 29 N 0.19 1.68 0.30 1.90 3.76 -0.75 -1.55 115.29 120.81 2dm4 s HIS 29 Ca 0.35 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.74 2dm4 s HIS 29 Cb -0.18 -0.90 0.03 0.00 1.11 0.00 0.00 32.58 32.63 2dm4 s HIS 29 CO 0.18 0.20 0.51 -2.67 -0.85 0.00 0.00 174.74 172.12 2dm4 n TRP 30 N 0.89 -1.67 -4.48 1.40 2.14 -0.52 -0.97 117.44 114.23 2dm4 n TRP 30 Ca -0.18 -1.72 -0.24 0.00 2.07 0.00 0.00 57.50 57.43 2dm4 n TRP 30 Cb 0.55 0.60 -0.10 0.00 -0.81 0.00 0.00 31.31 31.54 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -2.23 2.67 0.44 -1.67 0.00 0.22 -4.81 121.76 116.39 2dm4 s ALA 31 Ca 0.18 -1.94 -0.24 0.00 0.00 0.00 0.00 51.96 49.97 2dm4 s ALA 31 Cb -0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 2dm4 s ALA 31 CO 0.13 0.12 1.17 -1.25 0.00 0.00 0.00 175.76 175.94 2dm4 s PRO 32 N -3.60 3.85 0.47 0.00 0.04 -1.26 -2.66 135.00 131.84 2dm4 s PRO 32 Ca 0.30 1.81 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2dm4 s PRO 32 Cb -0.00 -2.49 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 2dm4 s PRO 32 CO 0.14 -0.49 1.16 -1.25 0.04 0.00 0.00 177.00 176.60 2dm4 s PRO 33 N -2.57 3.71 0.31 0.56 0.04 -1.26 -4.65 135.00 131.14 2dm4 s PRO 33 Ca 0.61 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.39 2dm4 s PRO 33 Cb -0.30 -2.36 0.48 0.00 0.04 0.00 0.00 34.50 32.36 2dm4 s PRO 33 CO 0.36 -0.58 1.97 0.82 0.04 0.00 0.00 177.00 179.61 2dm4 h ILE 34 N 1.79 1.20 -1.74 0.56 2.04 -1.83 -3.44 117.51 116.09 2dm4 h ILE 34 Ca -0.49 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.04 2dm4 h ILE 34 Cb 1.25 0.07 -0.24 0.00 -0.74 0.00 0.00 36.82 37.15 2dm4 h ILE 34 CO 0.60 0.20 0.23 -2.28 0.00 0.00 0.00 178.15 176.90 2dm4 s HIS 35 N -5.86 -0.77 0.05 1.37 5.04 -1.26 -5.06 115.29 108.80 2dm4 s HIS 35 Ca -0.11 1.57 0.08 0.00 -1.54 0.00 0.00 55.06 55.06 2dm4 s HIS 35 Cb 0.18 0.46 -0.03 0.00 0.04 0.00 0.00 32.58 33.23 2dm4 s HIS 35 CO 0.79 -0.38 -0.23 0.95 -2.34 0.00 0.00 174.74 173.53 2dm4 s THR 36 N 1.34 1.85 -1.31 0.89 -4.23 -1.26 -2.49 115.64 110.43 2dm4 s THR 36 Ca -0.08 -1.30 -0.17 0.00 -1.18 0.00 0.00 61.69 58.96 2dm4 s THR 36 Cb -0.04 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2dm4 s THR 36 CO -0.16 0.24 1.98 0.00 -0.54 0.00 0.00 174.62 176.15 2dm4 n HIS 37 N 1.75 3.74 0.00 3.99 1.44 -1.26 -4.69 115.22 120.19 2dm4 n HIS 37 Ca -0.17 -2.68 0.00 0.00 -2.01 0.00 0.00 57.72 52.86 2dm4 n HIS 37 Cb 0.53 -2.51 0.00 0.00 0.12 0.00 0.00 29.99 28.13 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2dm4 n GLY 38 N 4.79 3.83 2.78 -1.39 0.00 -1.26 -4.67 105.19 109.26 2dm4 n GLY 38 Ca 0.50 -1.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.66 2dm4 n GLY 38 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dm4 n LEU 39 N 0.00 0.37 -4.62 0.99 7.94 -1.26 -4.56 117.00 115.85 2dm4 n LEU 39 Ca 0.00 0.91 -0.43 0.00 -1.11 0.00 0.00 56.01 55.38 2dm4 n LEU 39 Cb 0.00 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.23 2dm4 n LEU 39 CO 0.00 -1.15 1.40 -0.63 -1.11 0.00 0.00 177.39 175.90 2dm4 s ILE 40 N 0.92 3.65 -0.09 1.96 1.01 -1.26 -3.96 121.20 123.43 2dm4 s ILE 40 Ca 0.75 0.72 -0.24 0.00 0.00 0.00 0.00 60.65 61.87 2dm4 s ILE 40 Cb -1.05 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 37.51 2dm4 s ILE 40 CO 0.52 -0.33 0.86 0.03 0.00 0.00 0.00 174.94 176.01 2dm4 h ARG 41 N 11.18 -0.05 0.00 2.79 3.08 -1.75 -3.50 114.38 126.13 2dm4 h ARG 41 Ca -0.34 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.74 2dm4 h ARG 41 Cb 1.16 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2dm4 h ARG 41 CO 1.01 0.63 0.23 -0.85 -1.07 0.00 0.00 179.97 179.92 2dm4 n GLU 42 N -4.75 0.61 -4.37 0.04 0.00 -1.26 -5.04 120.64 105.87 2dm4 n GLU 42 Ca -0.08 -1.24 -0.26 0.00 0.00 0.00 0.00 57.16 55.58 2dm4 n GLU 42 Cb 0.34 1.58 -0.17 0.00 0.00 0.00 0.00 31.44 33.19 2dm4 n GLU 42 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2dm4 s TYR 43 N -4.39 1.52 0.12 -1.84 2.02 -1.05 -1.26 117.35 112.47 2dm4 s TYR 43 Ca 0.11 -0.64 -0.08 0.00 -0.37 0.00 0.00 57.07 56.09 2dm4 s TYR 43 Cb -0.03 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 2dm4 s TYR 43 CO 0.06 -0.37 0.41 -1.50 -1.57 0.00 0.00 175.55 172.59 2dm4 s ILE 44 N 1.00 5.10 -0.21 2.71 2.07 -0.49 -0.75 121.20 130.64 2dm4 s ILE 44 Ca -0.08 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 2dm4 s ILE 44 Cb -0.15 -3.63 0.05 0.00 0.13 0.00 0.00 42.46 38.86 2dm4 s ILE 44 CO -0.00 0.15 -0.06 0.68 -1.91 0.00 0.00 174.94 173.79 2dm4 s VAL 45 N -1.55 1.40 -0.24 4.00 -7.23 -0.71 -1.19 120.40 114.88 2dm4 s VAL 45 Ca 0.38 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 2dm4 s VAL 45 Cb -0.13 -1.61 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 2dm4 s VAL 45 CO 0.21 0.01 0.15 -1.61 -0.31 0.00 0.00 175.10 173.55 2dm4 s GLU 46 N 1.48 4.03 0.01 4.82 2.02 0.60 -2.98 118.70 128.68 2dm4 s GLU 46 Ca -0.03 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.71 2dm4 s GLU 46 Cb -0.17 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.51 2dm4 s GLU 46 CO -0.07 0.03 -0.11 1.52 0.02 0.00 0.00 175.26 176.64 2dm4 s TYR 47 N 1.15 1.00 -0.23 1.61 1.13 -0.80 -1.19 117.35 120.03 2dm4 s TYR 47 Ca 0.07 -0.27 -0.10 0.00 -1.41 0.00 0.00 57.07 55.37 2dm4 s TYR 47 Cb -0.14 -0.62 0.09 0.00 -1.10 0.00 0.00 41.96 40.19 2dm4 s TYR 47 CO 0.05 -0.00 0.51 0.45 -2.51 0.00 0.00 175.55 174.05 2dm4 s SER 48 N -0.68 -0.63 0.32 -0.18 0.15 -0.88 -1.50 113.70 110.30 2dm4 s SER 48 Ca 0.02 1.19 -0.26 0.00 0.70 0.00 0.00 55.95 57.60 2dm4 s SER 48 Cb -0.06 1.43 -0.14 0.00 -1.71 0.00 0.00 66.02 65.54 2dm4 s SER 48 CO 0.00 -0.22 0.70 -1.14 1.20 0.00 0.00 173.24 173.78 2dm4 n ARG 49 N 4.96 0.71 -1.48 5.44 0.63 -1.26 -2.63 116.66 123.03 2dm4 n ARG 49 Ca -0.15 0.25 -0.15 0.00 -0.92 0.00 0.00 57.85 56.89 2dm4 n ARG 49 Cb 0.52 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.82 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 1.45 0.29 0.00 6.15 2.88 0.48 -3.04 113.62 121.83 2dm4 n SER 50 Ca 0.12 -1.34 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2dm4 n SER 50 Cb 0.33 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 6.05 0.66 3.64 0.46 0.00 -1.26 -5.00 105.19 109.74 2dm4 n GLY 51 Ca 0.48 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 52 N -0.33 -0.76 0.42 1.61 0.01 -1.17 -5.03 113.70 108.46 2dm4 s SER 52 Ca 0.00 1.22 0.23 0.00 1.31 0.00 0.00 55.95 58.71 2dm4 s SER 52 Cb 0.00 1.31 0.75 0.00 0.21 0.00 0.00 66.02 68.30 2dm4 s SER 52 CO 0.00 -0.19 1.75 0.11 0.41 0.00 0.00 173.24 175.32 2dm4 h LYS 53 N 6.59 0.00 -6.38 12.44 1.57 -2.00 -3.44 116.57 125.35 2dm4 h LYS 53 Ca -0.29 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.94 2dm4 h LYS 53 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.49 2dm4 h LYS 53 CO 0.18 0.23 -0.01 1.41 -0.57 0.00 0.00 179.45 180.69 2dm4 s MET 54 N -3.49 4.13 -0.00 3.15 1.75 -1.26 -5.09 119.30 118.50 2dm4 s MET 54 Ca 0.02 0.68 0.03 0.00 -1.25 0.00 0.00 55.69 55.17 2dm4 s MET 54 Cb 0.09 -3.00 -0.01 0.00 2.84 0.00 0.00 34.83 34.75 2dm4 s MET 54 CO 0.65 0.50 -0.10 -1.58 -0.65 0.00 0.00 175.02 173.83 2dm4 s TRP 55 N -1.38 0.92 -0.29 4.11 0.52 -1.26 -4.75 118.94 116.81 2dm4 s TRP 55 Ca 0.37 -0.20 -0.12 0.00 0.02 0.00 0.00 56.10 56.17 2dm4 s TRP 55 Cb -0.17 -0.59 -0.04 0.00 -1.15 0.00 0.00 33.47 31.52 2dm4 s TRP 55 CO 0.20 -0.01 0.24 0.00 0.02 0.00 0.00 176.95 177.39 2dm4 s ALA 56 N -0.32 3.53 -0.08 0.98 0.00 -0.57 -4.93 121.76 120.38 2dm4 s ALA 56 Ca 0.03 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2dm4 s ALA 56 Cb -0.04 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 2dm4 s ALA 56 CO -0.00 -0.66 -0.10 -1.54 0.00 0.00 0.00 175.76 173.46 2dm4 s SER 57 N 1.73 4.36 0.05 0.00 1.04 -1.26 -1.89 113.70 117.73 2dm4 s SER 57 Ca 0.08 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.32 2dm4 s SER 57 Cb -0.16 -1.16 -0.01 0.00 0.10 0.00 0.00 66.02 64.79 2dm4 s SER 57 CO 0.11 0.32 0.12 0.00 0.98 0.00 0.00 173.24 174.77 2dm4 s GLN 58 N -0.55 0.67 0.25 4.02 -2.07 -1.16 -4.97 119.66 115.86 2dm4 s GLN 58 Ca 0.08 -0.83 -0.15 0.00 -1.82 0.00 0.00 55.36 52.64 2dm4 s GLN 58 Cb -0.12 0.27 -0.08 0.00 -1.09 0.00 0.00 33.01 31.99 2dm4 s GLN 58 CO 0.02 -0.18 0.67 1.03 -1.32 0.00 0.00 175.29 175.50 2dm4 s ARG 59 N -3.06 4.01 -0.04 9.60 1.81 -1.26 -1.73 118.95 128.28 2dm4 s ARG 59 Ca -0.01 0.60 0.01 0.00 -1.72 0.00 0.00 55.73 54.61 2dm4 s ARG 59 Cb 0.01 -2.65 0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2dm4 s ARG 59 CO -0.07 0.29 -0.02 0.00 -0.68 0.00 0.00 175.30 174.83 2dm4 s ALA 60 N -1.77 0.48 -0.01 2.13 0.00 0.07 -4.95 121.76 117.72 2dm4 s ALA 60 Ca 0.48 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 2dm4 s ALA 60 Cb -0.13 -0.37 -0.32 0.00 0.00 0.00 0.00 23.12 22.31 2dm4 s ALA 60 CO 0.19 -0.05 0.97 0.00 0.00 0.00 0.00 175.76 176.87 2dm4 h ALA 61 N 7.23 -0.09 -5.04 0.00 0.00 -1.86 -2.78 119.26 116.72 2dm4 h ALA 61 Ca -0.40 -0.74 -0.38 0.00 0.00 0.00 0.00 54.91 53.40 2dm4 h ALA 61 Cb 1.14 0.12 0.08 0.00 0.00 0.00 0.00 17.79 19.13 2dm4 h ALA 61 CO 0.47 0.49 0.12 0.43 0.00 0.00 0.00 179.25 180.77 2dm4 n SER 62 N -3.99 0.99 -0.40 0.00 7.64 -1.26 -4.87 113.62 111.73 2dm4 n SER 62 Ca -0.14 -1.87 0.02 0.00 1.01 0.00 0.00 58.87 57.88 2dm4 n SER 62 Cb 0.91 -0.56 0.05 0.00 -1.01 0.00 0.00 64.21 63.60 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 -3.01 1.03 -3.85 6.43 4.13 -1.26 -4.83 115.26 113.89 2dm4 n ASN 63 Ca 0.14 -2.05 -0.10 0.00 1.68 0.00 0.00 54.58 54.25 2dm4 n ASN 63 Cb 0.48 -0.25 -0.06 0.00 -1.54 0.00 0.00 39.78 38.41 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 -1.63 0.16 0.26 3.10 -0.71 -1.26 -1.44 117.98 116.47 2dm4 s PHE 64 Ca 0.08 -0.53 -0.02 0.00 -1.04 0.00 0.00 56.93 55.42 2dm4 s PHE 64 Cb 0.05 0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 2dm4 s PHE 64 CO 0.04 -0.76 0.38 -2.37 -1.34 0.00 0.00 175.22 171.18 2dm4 n THR 65 N -0.24 0.00 -3.69 -4.49 5.66 -0.60 -4.77 114.28 106.15 2dm4 n THR 65 Ca -0.10 -1.23 -0.29 0.00 -3.05 0.00 0.00 64.05 59.39 2dm4 n THR 65 Cb 0.63 0.79 -0.15 0.00 -1.55 0.00 0.00 70.33 70.04 2dm4 n THR 65 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2dm4 s GLU 66 N -2.52 0.59 -0.75 1.09 2.02 -1.26 -2.58 118.70 115.28 2dm4 s GLU 66 Ca 0.20 -0.78 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 2dm4 s GLU 66 Cb -0.01 -1.85 0.05 0.00 0.10 0.00 0.00 34.13 32.42 2dm4 s GLU 66 CO 0.14 -0.90 1.20 0.42 0.02 0.00 0.00 175.26 176.14 2dm4 s ILE 67 N 1.79 3.97 0.67 -1.63 1.01 0.38 -4.88 121.20 122.52 2dm4 s ILE 67 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.70 2dm4 s ILE 67 Cb -0.17 -4.86 0.11 0.00 0.01 0.00 0.00 42.46 37.56 2dm4 s ILE 67 CO -0.23 -1.73 0.93 -0.54 0.00 0.00 0.00 174.94 173.37 2dm4 s LYS 68 N 5.01 1.87 -0.77 2.79 1.02 -1.26 -0.82 119.74 127.58 2dm4 s LYS 68 Ca 0.32 -1.26 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 2dm4 s LYS 68 Cb -0.10 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2dm4 s LYS 68 CO 0.10 -1.26 0.65 0.09 -0.92 0.00 0.00 175.35 174.01 2dm4 n ASN 69 N -2.65 -2.73 -4.56 2.83 3.02 -1.18 -4.94 115.26 105.06 2dm4 n ASN 69 Ca 0.15 -0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.02 2dm4 n ASN 69 Cb 0.61 -3.58 -0.11 0.00 -0.61 0.00 0.00 39.78 36.09 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 -4.82 2.59 -0.28 3.41 1.43 -0.16 -5.06 118.68 115.80 2dm4 s LEU 70 Ca 0.07 -1.39 -0.13 0.00 -1.03 0.00 0.00 54.13 51.65 2dm4 s LEU 70 Cb -0.01 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 2dm4 s LEU 70 CO 0.49 -0.53 0.30 -0.76 0.23 0.00 0.00 176.35 176.08 2dm4 s LEU 71 N -3.64 4.05 0.83 1.79 1.43 -1.26 -4.45 118.68 117.44 2dm4 s LEU 71 Ca 0.34 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 2dm4 s LEU 71 Cb 0.09 -2.31 0.05 0.00 0.03 0.00 0.00 46.19 44.05 2dm4 s LEU 71 CO 0.16 -0.14 0.84 1.33 0.23 0.00 0.00 176.35 178.78 2dm4 n VAL 72 N 5.10 1.29 -4.08 -1.59 0.24 -1.26 -2.85 118.33 115.18 2dm4 n VAL 72 Ca -0.11 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.66 2dm4 n VAL 72 Cb 0.51 -0.93 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.19 -1.83 -3.84 -1.34 0.23 -1.03 -4.84 115.26 100.42 2dm4 n ASN 73 Ca 0.11 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.02 2dm4 n ASN 73 Cb 0.51 -2.92 -0.15 0.00 -2.08 0.00 0.00 39.78 35.14 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 -3.65 0.03 -0.03 5.53 2.01 -1.13 -4.85 115.64 113.55 2dm4 s THR 74 Ca 0.36 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 2dm4 s THR 74 Cb -0.20 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 2dm4 s THR 74 CO 0.91 0.05 1.38 -0.22 -0.69 0.00 0.00 174.62 176.05 2dm4 s LEU 75 N 0.41 4.30 -0.04 4.42 1.98 -1.26 -2.24 118.68 126.24 2dm4 s LEU 75 Ca -0.03 2.03 0.04 0.00 -2.89 0.00 0.00 54.13 53.28 2dm4 s LEU 75 Cb -0.05 -3.56 -0.00 0.00 0.66 0.00 0.00 46.19 43.24 2dm4 s LEU 75 CO -0.01 -0.72 -0.15 -0.31 -1.89 0.00 0.00 176.35 173.27 2dm4 s TYR 76 N 2.64 1.54 0.03 5.38 1.51 -0.51 -0.39 117.35 127.55 2dm4 s TYR 76 Ca 0.63 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 56.11 2dm4 s TYR 76 Cb -0.30 -1.05 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 2dm4 s TYR 76 CO 0.25 -0.17 0.40 0.99 -1.11 0.00 0.00 175.55 175.91 2dm4 s THR 77 N 0.14 5.06 0.01 -0.71 2.01 -1.08 -2.07 115.64 119.00 2dm4 s THR 77 Ca -0.05 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2dm4 s THR 77 Cb -0.11 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2dm4 s THR 77 CO 0.02 0.45 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 2dm4 s VAL 78 N -1.22 0.36 -0.18 3.82 1.01 -0.66 -2.07 120.40 121.46 2dm4 s VAL 78 Ca 0.28 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2dm4 s VAL 78 Cb -0.15 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 35.93 2dm4 s VAL 78 CO 0.15 -0.06 0.46 0.00 0.00 0.00 0.00 175.10 175.65 2dm4 s ARG 79 N -0.54 0.48 0.26 2.72 1.70 -0.33 -1.54 118.95 121.70 2dm4 s ARG 79 Ca -0.02 0.78 0.07 0.00 -0.47 0.00 0.00 55.73 56.09 2dm4 s ARG 79 Cb -0.04 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.40 2dm4 s ARG 79 CO -0.00 -0.12 0.19 0.08 -1.08 0.00 0.00 175.30 174.36 2dm4 s VAL 80 N 1.01 4.26 -0.18 4.99 1.01 -1.26 -0.29 120.40 129.94 2dm4 s VAL 80 Ca -0.06 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 2dm4 s VAL 80 Cb -0.06 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.04 2dm4 s VAL 80 CO -0.09 -0.34 0.46 0.00 0.00 0.00 0.00 175.10 175.13 2dm4 s ALA 81 N -2.17 -1.16 -0.05 5.51 0.00 -0.34 -0.67 121.76 122.88 2dm4 s ALA 81 Ca 0.33 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.54 2dm4 s ALA 81 Cb -0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2dm4 s ALA 81 CO 0.25 -0.26 0.97 0.00 0.00 0.00 0.00 175.76 176.71 2dm4 s ALA 82 N 1.00 3.28 0.05 0.00 0.00 -1.26 -1.39 121.76 123.44 2dm4 s ALA 82 Ca -0.06 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 52.26 2dm4 s ALA 82 Cb -0.06 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2dm4 s ALA 82 CO -0.09 -0.39 0.31 0.08 0.00 0.00 0.00 175.76 175.68 2dm4 s VAL 83 N 1.44 5.24 0.28 0.00 1.01 -0.39 -2.64 120.40 125.33 2dm4 s VAL 83 Ca 0.49 0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.68 2dm4 s VAL 83 Cb -0.20 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2dm4 s VAL 83 CO 0.23 0.27 0.02 0.42 0.00 0.00 0.00 175.10 176.03 2dm4 s THR 84 N -1.40 1.19 0.41 3.92 -4.23 -0.55 -2.30 115.64 112.69 2dm4 s THR 84 Ca 0.32 -2.04 0.30 0.00 -1.18 0.00 0.00 61.69 59.09 2dm4 s THR 84 Cb -0.13 -2.56 0.47 0.00 1.34 0.00 0.00 72.50 71.62 2dm4 s THR 84 CO 0.19 -0.17 1.48 -0.24 -0.54 0.00 0.00 174.62 175.34 2dm4 n SER 85 N -0.56 0.21 0.02 3.99 2.88 -1.25 -1.28 113.62 117.62 2dm4 n SER 85 Ca -0.04 1.34 -0.01 0.00 -1.33 0.00 0.00 58.87 58.83 2dm4 n SER 85 Cb 0.65 -0.66 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dm4 h ARG 86 N 0.00 -0.07 0.00 -1.46 9.65 -1.95 -3.51 114.38 117.04 2dm4 h ARG 86 Ca 0.83 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.72 2dm4 h ARG 86 Cb 2.66 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 31.26 2dm4 h ARG 86 CO -0.46 -0.05 0.00 0.41 2.80 0.00 0.00 179.97 182.67 2dm4 n GLY 87 N 1.29 0.97 3.73 2.80 0.00 -0.40 -5.14 105.19 108.43 2dm4 n GLY 87 Ca -0.01 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.17 3.64 0.00 -0.61 1.01 -1.26 -1.48 121.20 120.33 2dm4 s ILE 88 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2dm4 s ILE 88 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2dm4 s ILE 88 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2dm4 n GLY 89 N 2.64 1.49 3.73 6.18 0.00 -1.08 -4.98 105.19 113.16 2dm4 n GLY 89 Ca 0.07 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 2dm4 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm4 s ASN 90 N -1.00 3.86 -0.17 1.61 0.01 -1.26 -4.92 114.94 113.07 2dm4 s ASN 90 Ca 0.00 1.76 -0.07 0.00 -0.71 0.00 0.00 52.86 53.84 2dm4 s ASN 90 Cb 0.00 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2dm4 s ASN 90 CO 0.00 -2.43 0.07 0.26 -1.51 0.00 0.00 177.10 173.48 2dm4 s TRP 91 N -2.87 3.28 0.44 2.20 0.52 -1.26 -4.38 118.94 116.87 2dm4 s TRP 91 Ca 0.63 0.13 -0.25 0.00 0.02 0.00 0.00 56.10 56.62 2dm4 s TRP 91 Cb -0.18 -2.05 -0.08 0.00 -1.15 0.00 0.00 33.47 30.01 2dm4 s TRP 91 CO 0.57 0.23 1.37 -1.54 0.02 0.00 0.00 176.95 177.59 2dm4 s SER 92 N 0.16 6.00 -0.99 2.95 1.04 0.16 -4.72 113.70 118.29 2dm4 s SER 92 Ca 0.05 2.79 -0.18 0.00 0.48 0.00 0.00 55.95 59.08 2dm4 s SER 92 Cb -0.12 -2.64 -0.29 0.00 0.10 0.00 0.00 66.02 63.07 2dm4 s SER 92 CO 0.00 -1.08 2.38 0.47 0.98 0.00 0.00 173.24 176.00 2dm4 n ASP 93 N -0.15 -0.69 -4.65 7.02 9.92 -1.26 -4.51 116.55 122.22 2dm4 n ASP 93 Ca 0.05 -0.26 -0.53 0.00 -0.53 0.00 0.00 54.79 53.52 2dm4 n ASP 93 Cb 0.43 -0.71 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2dm4 n SER 94 N 7.78 2.34 -4.88 -2.24 7.64 -1.26 -4.93 113.62 118.07 2dm4 n SER 94 Ca 0.67 1.08 -0.22 0.00 1.01 0.00 0.00 58.87 61.40 2dm4 n SER 94 Cb 0.10 -1.23 -0.02 0.00 -1.01 0.00 0.00 64.21 62.05 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dm4 s LYS 95 N 2.05 2.42 0.02 1.43 -0.14 -0.59 -4.93 119.74 120.00 2dm4 s LYS 95 Ca 0.89 -1.69 0.05 0.00 -1.36 0.00 0.00 55.97 53.86 2dm4 s LYS 95 Cb -0.92 -2.29 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 2dm4 s LYS 95 CO 0.52 -0.33 -0.15 -1.54 -0.76 0.00 0.00 175.35 173.10 2dm4 s SER 96 N -4.18 1.74 -0.11 2.83 1.04 -1.26 -1.65 113.70 112.12 2dm4 s SER 96 Ca 0.45 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.42 2dm4 s SER 96 Cb -0.02 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.97 2dm4 s SER 96 CO 0.26 0.11 0.28 -0.51 0.98 0.00 0.00 173.24 174.36 2dm4 s ILE 97 N -0.60 -0.01 -0.12 -1.02 2.07 -0.88 -4.99 121.20 115.65 2dm4 s ILE 97 Ca 0.04 0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 59.13 2dm4 s ILE 97 Cb -0.07 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 2dm4 s ILE 97 CO 0.00 0.01 0.46 -0.89 -1.91 0.00 0.00 174.94 172.62 2dm4 s THR 98 N 0.37 5.19 0.91 4.00 2.01 -1.26 -1.42 115.64 125.43 2dm4 s THR 98 Ca -0.02 0.92 -0.14 0.00 0.31 0.00 0.00 61.69 62.76 2dm4 s THR 98 Cb -0.03 -3.80 0.17 0.00 0.01 0.00 0.00 72.50 68.85 2dm4 s THR 98 CO -0.02 0.34 1.26 0.42 -0.69 0.00 0.00 174.62 175.94 2dm4 s THR 99 N 0.55 2.02 -0.07 -0.82 -4.23 -0.95 -4.89 115.64 107.25 2dm4 s THR 99 Ca 0.25 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.63 2dm4 s THR 99 Cb -0.15 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2dm4 s THR 99 CO 0.10 0.00 0.21 0.27 -0.54 0.00 0.00 174.62 174.66 2dm4 s ILE 100 N -3.76 0.01 -1.25 2.99 -4.36 -1.26 -2.46 121.20 111.12 2dm4 s ILE 100 Ca 0.71 -0.11 -0.13 0.00 -0.26 0.00 0.00 60.65 60.86 2dm4 s ILE 100 Cb -0.05 -0.33 0.16 0.00 1.25 0.00 0.00 42.46 43.48 2dm4 s ILE 100 CO 0.51 -0.06 1.61 1.17 0.24 0.00 0.00 174.94 178.41 2dm4 n LYS 101 N 2.69 3.40 -3.60 0.37 0.00 -1.26 -4.37 118.16 115.38 2dm4 n LYS 101 Ca -0.14 -3.67 -0.34 0.00 0.00 0.00 0.00 58.31 54.16 2dm4 n LYS 101 Cb 0.58 -3.07 0.03 0.00 0.00 0.00 0.00 35.03 32.57 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 3.91 -0.32 0.06 3.14 0.00 -1.26 -4.89 105.19 105.82 2dm4 n GLY 102 Ca 0.39 0.99 -0.13 0.00 0.00 0.00 0.00 46.02 47.27 2dm4 n GLY 102 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dm4 h SER 103 N 1.31 0.00 0.00 1.61 0.02 -1.98 -3.50 113.55 111.01 2dm4 h SER 103 Ca -0.59 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 2dm4 h SER 103 Cb 1.41 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2dm4 h SER 103 CO 0.28 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2dm4 n GLY 104 N 0.49 0.15 0.17 -3.77 0.00 -1.26 -5.03 105.19 95.94 2dm4 n GLY 104 Ca -0.09 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2dm4 n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 105 N 0.00 0.51 -7.23 1.61 0.13 -1.96 -3.45 132.00 121.62 2dm4 h PRO 105 Ca 0.00 -0.27 -0.46 0.00 -0.87 0.00 0.00 66.00 64.40 2dm4 h PRO 105 Cb 0.00 0.01 0.19 0.00 0.13 0.00 0.00 31.00 31.33 2dm4 h PRO 105 CO 0.00 0.85 0.11 0.45 -0.23 0.00 0.00 178.00 179.18 2dm4 s SER 106 N -6.31 1.92 -0.12 1.44 0.15 -1.26 -5.01 113.70 104.50 2dm4 s SER 106 Ca -0.13 1.58 -0.04 0.00 0.70 0.00 0.00 55.95 58.05 2dm4 s SER 106 Cb 0.07 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2dm4 s SER 106 CO 0.79 -3.63 -0.14 -1.54 1.20 0.00 0.00 173.24 169.92 2dm4 n SER 107 N -4.54 1.46 0.00 5.45 3.41 -1.26 -5.21 113.62 112.93 2dm4 n SER 107 Ca 0.05 0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.90 2dm4 n SER 107 Cb 0.54 -0.31 0.85 0.00 -0.26 0.00 0.00 64.21 65.04 2dm4 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49